| 1 | M | 47 | Very low | 51.2 | Low | 229 Ų | 229 | 140.8 Ų | 140.8 | 100% | 1.128 | 82% | 0.823 | S | S | * | * | | | | 0 | 84 | 0 | -65.1 | 158.9 | -179.4 | 0 | 0 | 104.6 | | |
| 2 | T | 53.2 | Low | 50.7 | Low | 132 Ų | 132 | 140 Ų | 140 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | | | | 73.2 | 126.1 | 94.5 | 52.8 | 0 | 0 | 0 | 0 | 111 | | |
| 3 | D | 45.8 | Very low | 51 | Low | 147 Ų | 147 | 137.5 Ų | 137.5 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | | | cis | -160.8 | 169.5 | -0.9 | -168.7 | -146.3 | 0 | 0 | 0 | 110.3 | | |
| 4 | E | 50.9 | Low | 50.3 | Low | 172 Ų | 172 | 138.4 Ų | 138.4 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | -49.7 | 155.6 | 175.4 | -57.3 | -61.5 | 133.9 | 0 | 0 | 114.9 | | |
| 5 | G | 49 | Very low | 50.6 | Low | 71 Ų | 71 | 136.7 Ų | 136.7 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | | | trans | -160.4 | 23.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 6 | F | 51.6 | Low | 50.2 | Low | 196 Ų | 196 | 138.1 Ų | 138.1 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | 43.5 | 116.2 | 156.6 | -100.4 | -99.1 | 0 | 0 | 0 | 121.3 | | |
| 7 | C | 48.9 | Very low | 50.3 | Low | 122 Ų | 122 | 134.6 Ų | 134.6 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 130.7 | 149.9 | -63.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 8 | P | 64.9 | Low | 50.2 | Low | 122 Ų | 122 | 139.5 Ų | 139.5 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -91 | 131.3 | 162.7 | 32.7 | -29.3 | 0 | 0 | 0 | 111.5 | | |
| 9 | I | 50.2 | Low | 49.9 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 92% | 0.923 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 131.4 | 167.1 | -65 | 165.8 | 0 | 0 | 0 | 108 | | |
| 10 | G | 47.4 | Very low | 49.9 | Very low | 63 Ų | 63 | 137.9 Ų | 137.9 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | | | trans | -149.1 | 145.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 11 | P | 54 | Low | 49.6 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | | | trans | -89.6 | 165.9 | -151.3 | 35.3 | -37.9 | 0 | 0 | 0 | 115 | | |
| 12 | P | 45.1 | Very low | 49.9 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | trans | -69.7 | 136.6 | 166.7 | 31.6 | -34.1 | 0 | 0 | 0 | 110 | | |
| 13 | S | 54.4 | Low | 49.5 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | trans | -132.5 | 128.3 | 176.2 | 59 | 0 | 0 | 0 | 0 | 110.7 | | |
| 14 | D | 41.6 | Very low | 49.7 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -62.7 | 146.1 | -171.7 | -52 | -92.3 | 0 | 0 | 0 | 114.2 | | |
| 15 | S | 54.9 | Low | 49.9 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | -124.1 | 61.4 | 166 | 66.5 | 0 | 0 | 0 | 0 | 110.9 | A17 | S15-A17 PolarHBondContact O-N 3.49Š|
| 16 | N | 44.4 | Very low | 49.6 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | -75.5 | 104 | 159.8 | -77.3 | -39.8 | 0 | 0 | 0 | 108.3 | | |
| 17 | A | 51.4 | Low | 49.6 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 65% | 0.653 | 80% | 0.796 | S | S | * | * | | | trans | -138 | 86.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S15 | S15-A17 PolarHBondContact O-N 3.49Š|
| 18 | F | 48.6 | Very low | 49.5 | Very low | 223 Ų | 223 | 136.5 Ų | 136.5 | 98% | 0.978 | 79% | 0.789 | S | S | * | * | | | trans | -143.1 | 119.5 | 151.5 | -92.2 | -73.3 | 0 | 0 | 0 | 109.4 | | |
| 19 | G | 45 | Very low | 48.8 | Very low | 76 Ų | 76 | 136.2 Ų | 136.2 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | | | trans | -101.5 | 133.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 20 | M | 48.7 | Very low | 48.7 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | | | trans | 9.4 | 127.5 | 146.8 | -68 | -173.6 | 171.8 | 0 | 0 | 122.4 | | |
| 21 | L | 45.1 | Very low | 48.8 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | | | | 71.4 | 161.7 | 125.8 | -69 | 169.4 | 0 | 0 | 0 | 120.1 | | |
| 22 | P | 51.8 | Low | 48.5 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | cis | -128.8 | 163.8 | 9.3 | 39.5 | -23.3 | 0 | 0 | 0 | 118.4 | | |
| 23 | D | 45.8 | Very low | 48.5 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | -57.6 | 138.7 | 165.1 | -78.8 | -100.9 | 0 | 0 | 0 | 114.6 | | |
| 24 | A | 49.1 | Very low | 48 | Very low | 91 Ų | 91 | 137.8 Ų | 137.8 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | trans | -156.7 | 138.5 | 153.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 25 | M | 55.1 | Low | 48.3 | Very low | 190 Ų | 190 | 139 Ų | 139 | 94% | 0.936 | 77% | 0.773 | S | S | * | * | | | trans | 82.1 | 78 | 156.6 | -42.3 | -141.9 | 81.2 | 0 | 0 | 118.9 | | |
| 26 | Y | 43.5 | Very low | 48.1 | Very low | 189 Ų | 189 | 141.9 Ų | 141.9 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | | | trans | -96.7 | 131.6 | 152.2 | 173.2 | -85.2 | 0 | 0 | 0 | 110.2 | | |
| 27 | K | 52.1 | Low | 47.6 | Very low | 168 Ų | 168 | 143 Ų | 143 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | | | trans | 155.9 | 144.6 | 162.9 | -94.4 | 162.9 | -174.9 | -175.9 | 0 | 108.6 | | |
| 28 | D | 46.7 | Very low | 47.5 | Very low | 130 Ų | 130 | 146 Ų | 146 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | cis | -129.5 | 144.3 | 9.6 | -62.1 | -72.9 | 0 | 0 | 0 | 109.1 | | |
| 29 | L | 49.6 | Very low | 47.1 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 61% | 0.607 | 78% | 0.779 | S | S | * | * | | | | 58.4 | 121.5 | 61.9 | -82.1 | 170.8 | 0 | 0 | 0 | 115.8 | | |
| 30 | F | 47.4 | Very low | 47 | Very low | 183 Ų | 183 | 141.2 Ų | 141.2 | 80% | 0.803 | 78% | 0.78 | S | S | * | * | | | trans | 165.8 | 107.9 | 130.8 | -100.1 | -91.8 | 0 | 0 | 0 | 107.1 | | |
| 31 | V | 50.7 | Low | 46.6 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | | | | 71.8 | 134 | 89 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 32 | S | 48.1 | Very low | 46.8 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | cis | -139.7 | 169.6 | 11.2 | -117.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 33 | G | 43.5 | Very low | 46.4 | Very low | 56 Ų | 56 | 136.7 Ų | 136.7 | 58% | 0.577 | 79% | 0.785 | S | S | * | * | | | cis | 116.2 | 89.7 | 33.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 34 | D | 44.6 | Very low | 46.2 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | | | trans | 43.6 | 125.6 | 135.2 | -46.4 | -47.7 | 0 | 0 | 0 | 122 | | |
| 35 | Q | 48.8 | Very low | 45.8 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | | -179 | 139.7 | 116.3 | -100.9 | -178.8 | -3.2 | 0 | 0 | 117 | | |
| 36 | E | 49.6 | Very low | 45.2 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | 64.4 | 145.1 | 144.8 | -61.7 | -149 | 84.3 | 0 | 0 | 124.8 | | |
| 37 | M | 35 | Very low | 45.2 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | | | trans | -98.8 | 136.4 | 176.4 | -55.3 | -175.5 | -169 | 0 | 0 | 111.2 | | |
| 38 | V | 48.6 | Very low | 44.8 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | | | trans | -139.9 | 137 | 150.7 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 39 | S | 39.9 | Very low | 44.6 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | trans | -65.4 | 133.8 | 176.8 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 40 | G | 43.5 | Very low | 44.5 | Very low | 78 Ų | 78 | 138 Ų | 138 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -159.4 | 100.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 41 | S | 41.2 | Very low | 44.9 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | trans | -73.5 | 131.2 | 172.2 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 42 | S | 48.7 | Very low | 44.9 | Very low | 118 Ų | 118 | 135 Ų | 135 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | -163.1 | 143.8 | 138 | 43.9 | 0 | 0 | 0 | 0 | 111 | | |
| 43 | A | 42.3 | Very low | 44.8 | Very low | 88 Ų | 88 | 136 Ų | 136 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | trans | -75.8 | 158 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 44 | T | 42 | Very low | 44.9 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | | | | 168.9 | 113.5 | 104.2 | -60.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 45 | A | 41 | Very low | 44.7 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | | | trans | -150.5 | 101.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 46 | V | 42.3 | Very low | 44.8 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 65% | 0.648 | 83% | 0.829 | S | S | * | * | | | trans | -103 | 126.9 | 175.6 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | Y48 | V46-Y48 HydrophobicContact CG1-CD2 3.92Å; V46-Y48 HydrophobicContact CG1-CE2 3.7Å |
| 47 | Y | 43.9 | Very low | 44.3 | Very low | 236 Ų | 236 | 140.9 Ų | 140.9 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | | | trans | -137.4 | 143.1 | 164.2 | -138.8 | -95.4 | 0 | 0 | 0 | 110 | | |
| 48 | Y | 43.7 | Very low | 44.5 | Very low | 211 Ų | 211 | 139 Ų | 139 | 83% | 0.827 | 83% | 0.83 | S | S | * | * | | | trans | -103.3 | 149.7 | -154.1 | -93.5 | -100.1 | 0 | 0 | 0 | 115.5 | V46 | V46-Y48 HydrophobicContact CG1-CD2 3.92Å; V46-Y48 HydrophobicContact CG1-CE2 3.7Å |
| 49 | G | 41.8 | Very low | 44.1 | Very low | 73 Ų | 73 | 136.7 Ų | 136.7 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | | | trans | 96.7 | 134.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 50 | K | 48.8 | Very low | 44 | Very low | 204 Ų | 204 | 135.1 Ų | 135.1 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | | | cis | -138.6 | 159.3 | 6.6 | -79.8 | 175.3 | 175.9 | 174 | 0 | 110.5 | | |
| 51 | P | 55.7 | Low | 43.8 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 158 | -168.8 | 34.6 | -36.9 | 0 | 0 | 0 | 114.8 | | |
| 52 | P | 49.7 | Very low | 43.7 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 78% | 0.779 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 148.7 | 173.5 | 34.2 | -34.3 | 0 | 0 | 0 | 112.3 | | |
| 53 | C | 47.1 | Very low | 43.7 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 91% | 0.912 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 129.6 | 178 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 54 | S | 44 | Very low | 43.9 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 142.3 | 178.2 | -67.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 55 | N | 42.2 | Very low | 43.8 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | | | trans | -146.9 | 101.3 | 146.2 | -97.3 | -22.4 | 0 | 0 | 0 | 107.9 | | |
| 56 | K | 49.5 | Very low | 43.9 | Very low | 209 Ų | 209 | 142 Ų | 142 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | | | trans | -116.3 | 119.2 | 174.1 | -118.1 | -168.7 | 178.5 | -170.8 | 0 | 108.7 | | |
| 57 | M | 40 | Very low | 44.1 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | | | trans | -82.2 | 167.5 | 167.1 | -68.1 | 176.3 | 171.6 | 0 | 0 | 110.7 | | |
| 58 | T | 38.8 | Very low | 44 | Very low | 142 Ų | 142 | 138 Ų | 138 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | | | trans | 78.8 | 119.8 | 163.6 | -44.2 | 0 | 0 | 0 | 0 | 114 | | |
| 59 | A | 40.5 | Very low | 43.9 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | | | cis | -165.4 | 156.1 | 41.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 60 | G | 38 | Very low | 44.1 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | | | trans | 69.9 | 109.1 | 143.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 61 | G | 39.2 | Very low | 43.4 | Very low | 82 Ų | 82 | 134.6 Ų | 134.6 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | | | trans | -175.1 | 119.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 62 | S | 39.1 | Very low | 43.2 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | | | trans | -83.1 | 156.3 | -171.3 | -175.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 63 | Q | 47.9 | Very low | 42.7 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | | | trans | 123.4 | 133.3 | 163.7 | -71 | 155.6 | 97.5 | 0 | 0 | 112.2 | | |
| 64 | T | 47.3 | Very low | 42.1 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | | | cis | -161.1 | 154.1 | -16.1 | 15.3 | 0 | 0 | 0 | 0 | 106.9 | | |
| 65 | P | 40 | Very low | 42 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | trans | -103.4 | 131.8 | -168.6 | 36.6 | -30.7 | 0 | 0 | 0 | 115.5 | | |
| 66 | Q | 42.9 | Very low | 41.8 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | | | trans | -177.4 | 147.2 | 160.1 | -103.8 | -177.5 | -66.9 | 0 | 0 | 106.6 | | |
| 67 | E | 45.5 | Very low | 41.4 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | | | cis | -159 | 152.9 | -6.4 | -170.1 | 166.1 | 130.4 | 0 | 0 | 106.6 | | |
| 68 | P | 42.6 | Very low | 41.4 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | | | trans | -102.2 | 121 | -172.5 | 34.9 | -27.4 | 0 | 0 | 0 | 113.5 | | |
| 69 | D | 41.9 | Very low | 41.3 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | | | trans | -139.1 | 118.1 | 172.2 | -99.6 | -37.2 | 0 | 0 | 0 | 115.2 | | |
| 70 | L | 46.1 | Very low | 41.6 | Very low | 156 Ų | 156 | 136 Ų | 136 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | | | trans | 54.9 | 119.1 | 134.5 | -59.3 | 168.8 | 0 | 0 | 0 | 121.5 | | |
| 71 | C | 34.2 | Very low | 41.7 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | trans | -74.9 | 149.2 | 154.3 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 72 | P | 50.3 | Low | 41.9 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -121.1 | 158.9 | 150.1 | 32 | -19.3 | 0 | 0 | 0 | 114 | | |
| 73 | L | 39.1 | Very low | 42.1 | Very low | 160 Ų | 160 | 145 Ų | 145 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | | | trans | -78 | 163 | -168.5 | -70.6 | 158.7 | 0 | 0 | 0 | 115.7 | | |
| 74 | S | 34.9 | Very low | 41.7 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | trans | 65.5 | 117.7 | 142 | -64.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 75 | V | 42.3 | Very low | 41.3 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 87% | 0.873 | 81% | 0.811 | S | S | * | * | | | | -144.2 | 136.6 | 126.9 | 179.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 76 | Q | 37.5 | Very low | 41.5 | Very low | 180 Ų | 180 | 139.4 Ų | 139.4 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | | | trans | -101.8 | 150.3 | 173.1 | -61.5 | 169.9 | -75.7 | 0 | 0 | 111.4 | | |
| 77 | Y | 40.9 | Very low | 41.9 | Very low | 244 Ų | 244 | 135.4 Ų | 135.4 | 96% | 0.957 | 81% | 0.807 | S | S | * | * | | | trans | 177.1 | 140.2 | 149.3 | -100.5 | -72.5 | 0 | 0 | 0 | 106.7 | | |
| 78 | G | 39.4 | Very low | 41.8 | Very low | 66 Ų | 66 | 134.5 Ų | 134.5 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | | | cis | -170.2 | 167.1 | -5.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 79 | D | 38.2 | Very low | 42.1 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | | | trans | -73.5 | 144.6 | -164.6 | -61.1 | -98.6 | 0 | 0 | 0 | 118.2 | | |
| 80 | A | 46 | Very low | 42.2 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 88% | 0.884 | 82% | 0.823 | S | S | * | * | | | trans | -176.5 | 133.1 | 134.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 81 | G | 40.4 | Very low | 42.1 | Very low | 68 Ų | 68 | 133.1 Ų | 133.1 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | | | cis | 147.9 | 103.4 | -3.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 82 | Y | 44.3 | Very low | 42.4 | Very low | 237 Ų | 237 | 132.5 Ų | 132.5 | 93% | 0.929 | 82% | 0.816 | S | S | * | * | | | trans | -178.2 | 111.6 | 145.3 | -117 | -84.7 | 0 | 0 | 0 | 109.7 | | |
| 83 | N | 42.8 | Very low | 42.1 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | | | trans | -93.8 | 157.7 | 169.2 | -95.2 | -72.7 | 0 | 0 | 0 | 110.2 | | |
| 84 | G | 38.3 | Very low | 42.4 | Very low | 80 Ų | 80 | 130.8 Ų | 130.8 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | -82.3 | -162.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 85 | G | 40.3 | Very low | 42.7 | Very low | 73 Ų | 73 | 134.9 Ų | 134.9 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | 132.2 | 111.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 86 | V | 42.6 | Very low | 42.7 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 92% | 0.915 | 81% | 0.805 | S | S | * | * | | | trans | -70.5 | 147.2 | 165.8 | -72.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 87 | P | 52.4 | Low | 43.4 | Very low | 93 Ų | 93 | 136.7 Ų | 136.7 | 60% | 0.604 | 81% | 0.805 | S | S | * | * | | | trans | -127.3 | 146.2 | 147.2 | 22.3 | -3.8 | 0 | 0 | 0 | 112.4 | F89 | P87-F89 HydrophobicContact CB-CD1 4.3Å; P87-F89 HydrophobicContact CB-CE1 3.65Å; P87-F89 HydrophobicContact CB-CZ 4.29Å; P87-F89 HydrophobicContact CG-CE1 3.76Å; P87-F89 HydrophobicContact CG-CZ 3.97Å |
| 88 | S | 43.6 | Very low | 43.7 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | -95 | 134.1 | 172.1 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 89 | F | 48.3 | Very low | 44.4 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | | | trans | -143.7 | 138.1 | 164.5 | 7.6 | -95.7 | 0 | 0 | 0 | 110.7 | P87 | P87-F89 HydrophobicContact CB-CD1 4.3Å; P87-F89 HydrophobicContact CB-CE1 3.65Å; P87-F89 HydrophobicContact CB-CZ 4.29Å; P87-F89 HydrophobicContact CG-CE1 3.76Å; P87-F89 HydrophobicContact CG-CZ 3.97Å |
| 90 | A | 44.8 | Very low | 44.8 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | -87.9 | 145.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 91 | A | 43.6 | Very low | 45 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | -153.2 | 136.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 92 | V | 40.9 | Very low | 45.5 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 70% | 0.703 | 80% | 0.799 | S | S | * | * | | | trans | -127.6 | 131.6 | -175.7 | 170.6 | 0 | 0 | 0 | 0 | 107.5 | Q94 | V92-Q94 HydrophobicContact CG1-CB 4.31Å; V92-Q94 HydrophobicContact CG1-CG 3.59Å |
| 93 | P | 44.4 | Very low | 45.8 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | | -143.5 | 128.2 | 109.2 | 32.5 | -15.4 | 0 | 0 | 0 | 112.5 | | |
| 94 | Q | 43.6 | Very low | 45.7 | Very low | 127 Ų | 127 | 120.2 Ų | 120.2 | 59% | 0.593 | 79% | 0.788 | S | S | * | * | | | | 72 | 127.2 | 64.8 | -78.4 | -69 | 4.8 | 0 | 0 | 116.6 | V92 | V92-Q94 HydrophobicContact CG1-CB 4.31Å; V92-Q94 HydrophobicContact CG1-CG 3.59Å |
| 95 | Y | 42.8 | Very low | 46 | Very low | 189 Ų | 189 | 126.4 Ų | 126.4 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | | | trans | 67 | 103.5 | 169.2 | -45.9 | -64.4 | 0 | 0 | 0 | 120.4 | | |
| 96 | Y | 42.3 | Very low | 46.3 | Very low | 227 Ų | 227 | 134.5 Ų | 134.5 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | | | | -167.1 | 159.4 | 89.7 | -120.9 | -92.9 | 0 | 0 | 0 | 112.8 | | |
| 97 | T | 52.2 | Low | 46.7 | Very low | 136 Ų | 136 | 134 Ų | 134 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | | | trans | -108.1 | 151.2 | -169.4 | 48.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 98 | G | 45.6 | Very low | 46.4 | Very low | 76 Ų | 76 | 133.2 Ų | 133.2 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | | | trans | 173.3 | 115.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 99 | P | 54.7 | Low | 46.4 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | | | trans | -110.7 | 152 | -166.6 | 39.1 | -33.1 | 0 | 0 | 0 | 115.6 | | |
| 100 | A | 47.2 | Very low | 46.7 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | | | trans | -172.1 | 143.1 | 140.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 101 | A | 49.7 | Very low | 47 | Very low | 95 Ų | 95 | 132.6 Ų | 132.6 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | -114.1 | -170.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 102 | P | 50.6 | Low | 47.1 | Very low | 110 Ų | 110 | 137 Ų | 137 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | | | cis | -134.7 | -172.3 | -11.1 | 37.3 | -17.8 | 0 | 0 | 0 | 114.1 | | |
| 103 | S | 51.4 | Low | 47.9 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | | | trans | 66.4 | 125.2 | 150 | 61.5 | 0 | 0 | 0 | 0 | 120.7 | | |
| 104 | G | 41.4 | Very low | 48.1 | Very low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | | | trans | 163.9 | 86.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R106 | G104-R106 PolarHBondContact O-N 3.25Š|
| 105 | H | 44.6 | Very low | 48.6 | Very low | 210 Ų | 210 | 133.8 Ų | 133.8 | 97% | 0.972 | 81% | 0.809 | S | S | * | * | | | trans | -62.5 | 119.7 | 160.6 | -100.2 | -89.1 | 0 | 0 | 0 | 108.5 | | |
| 106 | R | 45.8 | Very low | 49.1 | Very low | 242 Ų | 242 | 131.1 Ų | 131.1 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | | | trans | -128 | 119.3 | 165.9 | -109.6 | -172 | -174.2 | -147.4 | 2.6 | 111.6 | G104 | G104-R106 PolarHBondContact O-N 3.25Š|
| 107 | T | 50.1 | Low | 49.8 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 87% | 0.871 | 81% | 0.813 | S | S | * | * | | | trans | -54 | 129.5 | 163.2 | 2.2 | 0 | 0 | 0 | 0 | 110.3 | G109 | T107-G109 PolarHBondContact O-N 3.08Å; T107-G109 VanDerWaalsContact O-N 3.08Å |
| 108 | G | 47.2 | Very low | 49.9 | Very low | 76 Ų | 76 | 130 Ų | 130 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | | | trans | -74.9 | 91.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 109 | G | 42.4 | Very low | 50.1 | Low | 72 Ų | 72 | 136.8 Ų | 136.8 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | | | trans | -82.3 | 117.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T107 A111 | T107-G109 PolarHBondContact O-N 3.08Å; T107-G109 VanDerWaalsContact O-N 3.08Å; G109-A111 PolarHBondContact O-N 3.31Å |
| 110 | Y | 56.4 | Low | 50 | Low | 216 Ų | 216 | 134.8 Ų | 134.8 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | | | trans | -75.9 | 106.6 | 165.4 | 44.4 | -86.9 | 0 | 0 | 0 | 108.5 | F112 | Y110-F112 PolarHBondContact O-N 2.94Å; Y110-F112 VanDerWaalsContact O-N 3.17Å |
| 111 | A | 50.1 | Low | 50.4 | Low | 96 Ų | 96 | 134 Ų | 134 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | | | trans | -78 | 98.6 | 175 | 0 | 0 | 0 | 0 | 0 | 109.4 | G109 T113 | G109-A111 PolarHBondContact O-N 3.31Å; A111-T113 PolarHBondContact O-N 2.82Å |
| 112 | F | 46.2 | Very low | 50.3 | Low | 194 Ų | 194 | 140.3 Ų | 140.3 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | | | trans | -86.9 | 106.2 | 169.5 | -150.1 | -91.5 | 0 | 0 | 0 | 109.1 | Y110 G114 | Y110-F112 PolarHBondContact O-N 2.94Å; Y110-F112 VanDerWaalsContact O-N 3.17Å; F112-G114 VanDerWaalsContact C-N 3.25Å; F112-G114 PolarHBondContact O-N 3.17Å |
| 113 | T | 56.5 | Low | 50.7 | Low | 142 Ų | 142 | 143.5 Ų | 143.5 | 87% | 0.871 | 82% | 0.818 | S | S | * | * | | | trans | -77.1 | 76.6 | 175.6 | 51.6 | 0 | 0 | 0 | 0 | 110.1 | A111 | A111-T113 PolarHBondContact O-N 2.82Š|
| 114 | G | 50.2 | Low | 51.1 | Low | 56 Ų | 56 | 146.2 Ų | 146.2 | 58% | 0.577 | 82% | 0.817 | S | S | * | * | | | trans | -87.3 | 133.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | F112 | F112-G114 VanDerWaalsContact C-N 3.25Å; F112-G114 PolarHBondContact O-N 3.17Å |
| 115 | S | 52.6 | Low | 51.6 | Low | 101 Ų | 101 | 151.4 Ų | 151.4 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | | | trans | -64 | 157.1 | -179.8 | 39.3 | 0 | 0 | 0 | 0 | 113.3 | Q117 | S115-Q117 PolarHBondContact O-N 3.49Š|
| 116 | S | 54.2 | Low | 52.1 | Low | 133 Ų | 133 | 150.3 Ų | 150.3 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -74.5 | 48.6 | -174.4 | -162.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 117 | Q | 56.3 | Low | 52.6 | Low | 167 Ų | 167 | 147.8 Ų | 147.8 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | | | trans | -138 | 58.2 | -173.5 | -71.2 | -173.5 | -21.7 | 0 | 0 | 113.4 | S115 | S115-Q117 PolarHBondContact O-N 3.49Š|
| 118 | E | 55.2 | Low | 52.6 | Low | 172 Ų | 172 | 147.3 Ų | 147.3 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -151.5 | -22 | 167.7 | -134.3 | 154.4 | 92 | 0 | 0 | 117.2 | A120 | E118-A120 PolarHBondContact O-N 3.34Š|
| 119 | F | 50.3 | Low | 52.7 | Low | 220 Ų | 220 | 152 Ų | 152 | 97% | 0.965 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 4 | -171.7 | -95.6 | -92.1 | 0 | 0 | 0 | 117.3 | | |
| 120 | A | 52.8 | Low | 52.8 | Low | 90 Ų | 90 | 155.6 Ų | 155.6 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | -6.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E118 | E118-A120 PolarHBondContact O-N 3.34Š|
| 121 | A | 54.1 | Low | 52.6 | Low | 88 Ų | 88 | 151.5 Ų | 151.5 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -95.5 | -12.7 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 122 | Y | 48.7 | Very low | 52.6 | Low | 229 Ų | 229 | 155 Ų | 155 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -101.9 | 8.5 | -170.2 | -154 | -99.9 | 0 | 0 | 0 | 115.7 | | |
| 123 | Q | 59.4 | Low | 52.6 | Low | 176 Ų | 176 | 154.8 Ų | 154.8 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -110.5 | -8.7 | -178.6 | -77.5 | -108.3 | -62.8 | 0 | 0 | 114.7 | | |
| 124 | H | 58.5 | Low | 51.8 | Low | 176 Ų | 176 | 153 Ų | 153 | 82% | 0.815 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -107.1 | 19.2 | -163.2 | -90.4 | 96.4 | 0 | 0 | 0 | 116.9 | | |
| 125 | Q | 53.1 | Low | 51.9 | Low | 181 Ų | 181 | 156.3 Ų | 156.3 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -119.5 | 11.9 | 177.1 | -141.1 | 173 | -1.3 | 0 | 0 | 115.3 | | |
| 126 | H | 54.6 | Low | 51.5 | Low | 188 Ų | 188 | 157.8 Ų | 157.8 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -100.2 | 45.3 | 178.3 | -102.7 | -78.8 | 0 | 0 | 0 | 113.6 | | |
| 127 | Q | 56.3 | Low | 51.1 | Low | 189 Ų | 189 | 157.1 Ų | 157.1 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | | | trans | -160.9 | 52.3 | 175.2 | -126.8 | 171.4 | 42.1 | 0 | 0 | 116.9 | | |
| 128 | V | 50.8 | Low | 50.5 | Low | 131 Ų | 131 | 156 Ų | 156 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | | | trans | -150.3 | 64.5 | 170.2 | -90.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 129 | H | 47.3 | Very low | 50.1 | Low | 176 Ų | 176 | 154.2 Ų | 154.2 | 82% | 0.815 | 82% | 0.819 | S | S | * | * | | | trans | -163.2 | 81.1 | 145 | -122.1 | 71.9 | 0 | 0 | 0 | 112.2 | | |
| 130 | V | 45.1 | Very low | 49.6 | Very low | 146 Ų | 146 | 154.5 Ų | 154.5 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | | | trans | -94.3 | 80.9 | 161.5 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 131 | Q | 52.4 | Low | 48.9 | Very low | 131 Ų | 131 | 153.2 Ų | 153.2 | 61% | 0.612 | 81% | 0.811 | S | S | * | * | | | trans | -155.3 | 88.2 | 165.9 | -154.9 | 70.2 | 40.1 | 0 | 0 | 111.7 | | |
| 132 | Q | 49.7 | Very low | 48.3 | Very low | 170 Ų | 170 | 157.1 Ų | 157.1 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | | | | 52.6 | 81.4 | 127.9 | -161.1 | 169.8 | 47.3 | 0 | 0 | 118.2 | | |
| 133 | Q | 47.7 | Very low | 48.3 | Very low | 188 Ų | 188 | 154.1 Ų | 154.1 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | | | trans | -128.9 | 111.8 | 150.5 | -75.7 | -168.6 | -16.9 | 0 | 0 | 110.7 | | |
| 134 | A | 38 | Very low | 47.7 | Very low | 104 Ų | 104 | 151.7 Ų | 151.7 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -92.1 | 110.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 135 | T | 54 | Low | 47 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | -139.3 | 111.2 | 163.9 | 49.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 136 | T | 43.5 | Very low | 46.7 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | | | trans | -66.9 | 135.3 | 177.8 | 48.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 137 | S | 44.9 | Very low | 46.7 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -153.8 | 77.7 | 165.2 | -77.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 138 | T | 43.9 | Very low | 46 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | | | trans | -79.1 | 117 | 172.7 | -50.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 139 | L | 46.5 | Very low | 45.6 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 71% | 0.707 | 80% | 0.795 | S | S | * | * | | | trans | -145.1 | 149.9 | 174.9 | -133.8 | 146.2 | 0 | 0 | 0 | 109.7 | | |
| 140 | Y | 40.2 | Very low | 45.8 | Very low | 226 Ų | 226 | 137 Ų | 137 | 89% | 0.886 | 79% | 0.793 | S | S | * | * | | | trans | 79.7 | 108.2 | -174.8 | -56.4 | -77.1 | 0 | 0 | 0 | 116.7 | | |
| 141 | G | 38.4 | Very low | 46.4 | Very low | 63 Ų | 63 | 135.7 Ų | 135.7 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | | | trans | -177 | 28.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H143 | G141-H143 PolarHBondContact O-N 2.86Å; G141-H143 PolarHBondContact O-ND1 2.9Å |
| 142 | L | 41.8 | Very low | 45.9 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | | | trans | -70.3 | 98.1 | -177.7 | -162.3 | 75.7 | 0 | 0 | 0 | 110.2 | | |
| 143 | H | 48.8 | Very low | 45.9 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | | | trans | -104.4 | 123.2 | 170 | 62 | -75.7 | 0 | 0 | 0 | 108.3 | G141 | G141-H143 PolarHBondContact O-N 2.86Å; G141-H143 PolarHBondContact O-ND1 2.9Å |
| 144 | V | 46.5 | Very low | 45.8 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | | | trans | -94.8 | 109.6 | 175 | -177 | 0 | 0 | 0 | 0 | 107 | | |
| 145 | A | 44.2 | Very low | 46.1 | Very low | 87 Ų | 87 | 132.2 Ų | 132.2 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | | | trans | -74 | 135.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 146 | V | 46.3 | Very low | 45.3 | Very low | 132 Ų | 132 | 130 Ų | 130 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | | | trans | -104.5 | 129.4 | 164.7 | -178 | 0 | 0 | 0 | 0 | 106.2 | | |
| 147 | P | 54.6 | Low | 45.4 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | trans | -77.8 | 152 | -164.9 | 30.4 | -36.3 | 0 | 0 | 0 | 113.7 | | |
| 148 | D | 40.7 | Very low | 45.3 | Very low | 162 Ų | 162 | 131 Ų | 131 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | trans | -57.9 | 147.7 | 178.5 | -79.4 | -62.4 | 0 | 0 | 0 | 114.1 | | |
| 149 | S | 43.5 | Very low | 45.7 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -146.4 | 95.2 | 159.8 | -74 | 0 | 0 | 0 | 0 | 108.5 | | |
| 150 | T | 52.1 | Low | 45.6 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | S | Bend | | 178 | 125.5 | 119.6 | 34.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 151 | T | 56.2 | Low | 46.2 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | | | trans | 51.2 | 99 | 144.2 | 59.3 | 0 | 0 | 0 | 0 | 119.7 | V153 | T151-V153 PolarHBondContact O-N 2.82Š|
| 152 | N | 41.8 | Very low | 46.6 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | -60.8 | 118.8 | 148.2 | 171.3 | -3.9 | 0 | 0 | 0 | 110.5 | N154 | N152-N154 PolarHBondContact OD1-N 2.96Å; N152-N154 VanDerWaalsContact OD1-N 3.15Å |
| 153 | V | 51.4 | Low | 46.4 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | | | trans | -136.5 | 91.5 | 151.2 | -84.9 | 0 | 0 | 0 | 0 | 109.9 | T151 | T151-V153 PolarHBondContact O-N 2.82Š|
| 154 | N | 44.7 | Very low | 46.4 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | | | trans | 21.1 | 150.1 | 138.7 | -155 | 24.1 | 0 | 0 | 0 | 121.7 | N152 | N152-N154 PolarHBondContact OD1-N 2.96Å; N152-N154 VanDerWaalsContact OD1-N 3.15Å |
| 155 | A | 43.2 | Very low | 46.1 | Very low | 92 Ų | 92 | 125.1 Ų | 125.1 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | | | trans | 74.2 | 115.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 156 | G | 37.2 | Very low | 45.9 | Very low | 78 Ų | 78 | 131 Ų | 131 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -85.6 | 155.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 157 | H | 47.4 | Very low | 45.9 | Very low | 169 Ų | 169 | 132.2 Ų | 132.2 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | | | trans | -148.8 | 107.9 | 150.2 | -146.6 | -83.7 | 0 | 0 | 0 | 109.9 | | |
| 158 | A | 41.8 | Very low | 45.3 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -95.8 | 98.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 159 | Q | 51.4 | Low | 45.4 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | | | trans | -146.3 | 100.8 | 162.4 | -61.5 | -171.6 | 4.7 | 0 | 0 | 107.5 | | |
| 160 | S | 44.6 | Very low | 45.2 | Very low | 106 Ų | 106 | 147 Ų | 147 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | | 83.8 | 143.2 | 75.7 | -168.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 161 | L | 53.5 | Low | 45.1 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | trans | 99.9 | 109.1 | 162.5 | -53.4 | 179 | 0 | 0 | 0 | 120 | | |
| 162 | K | 47.2 | Very low | 44.3 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 73% | 0.726 | 79% | 0.787 | S | S | * | * | | | trans | 91.4 | 96.5 | 131 | -69 | 166.3 | -178 | 165.5 | 0 | 119.1 | N164 | K162-N164 PolarHBondContact O-N 2.91Š|
| 163 | S | 37.9 | Very low | 44.1 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | trans | -53.5 | 118.5 | 144.7 | 54.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 164 | N | 48.1 | Very low | 43.3 | Very low | 158 Ų | 158 | 142 Ų | 142 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | trans | -122.8 | 140.5 | 145.1 | -67 | -39.2 | 0 | 0 | 0 | 103.9 | K162 | K162-N164 PolarHBondContact O-N 2.91Š|
| 165 | G | 41 | Very low | 42.9 | Very low | 67 Ų | 67 | 142.2 Ų | 142.2 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | cis | 130.3 | 126.3 | 35 | 0 | 0 | 0 | 0 | 0 | 105 | | |
| 166 | F | 40 | Very low | 42.6 | Very low | 211 Ų | 211 | 146.2 Ų | 146.2 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | | | trans | -42 | 136.1 | -179.5 | -51.3 | -98.7 | 0 | 0 | 0 | 112.9 | | |
| 167 | D | 45.6 | Very low | 42.5 | Very low | 157 Ų | 157 | 152.6 Ų | 152.6 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | | | | -164.4 | 160.2 | 122.7 | -124.2 | -44.6 | 0 | 0 | 0 | 116.2 | | |
| 168 | R | 41.6 | Very low | 42.7 | Very low | 234 Ų | 234 | 149.2 Ų | 149.2 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | | | trans | -77.4 | 115.2 | -179.3 | -65 | 169.7 | 165.8 | -177.1 | -3.8 | 111.8 | | |
| 169 | R | 43.5 | Very low | 42.4 | Very low | 247 Ų | 247 | 149.4 Ų | 149.4 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | | | trans | -137.2 | 132.3 | 152.9 | -70.5 | -166.1 | -170 | -97.1 | -2.1 | 112.7 | | |
| 170 | R | 39.8 | Very low | 42.1 | Very low | 217 Ų | 217 | 152.2 Ų | 152.2 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | | | trans | -97.3 | 118.9 | 175.9 | 163.5 | -169.3 | 173.4 | -94 | 4.4 | 109.6 | | |
| 171 | P | 48.5 | Very low | 42.1 | Very low | 117 Ų | 117 | 151.8 Ų | 151.8 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | trans | -100.8 | 112.2 | 150.4 | 21.7 | -5.1 | 0 | 0 | 0 | 107.5 | | |
| 172 | S | 39.4 | Very low | 41.8 | Very low | 78 Ų | 78 | 149.3 Ų | 149.3 | 55% | 0.545 | 77% | 0.771 | S | S | . | * | | | | 54.2 | 87.9 | 66.8 | -154.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 173 | V | 38 | Very low | 41.8 | Very low | 132 Ų | 132 | 150.2 Ų | 150.2 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | | | trans | 10.4 | 112.8 | 153 | -73.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 174 | S | 34.7 | Very low | 42.2 | Very low | 94 Ų | 94 | 152.4 Ų | 152.4 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | | | | 174.4 | 165.6 | 116.8 | -82.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 175 | D | 36.4 | Very low | 41.5 | Very low | 153 Ų | 153 | 149 Ų | 149 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | 67.3 | 138 | 165.4 | -38.6 | -47.4 | 0 | 0 | 0 | 115.3 | | |
| 176 | E | 36.5 | Very low | 41.3 | Very low | 175 Ų | 175 | 151.5 Ų | 151.5 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | cis | -153.8 | 127.7 | -3.9 | -169.8 | 177.1 | 99.8 | 0 | 0 | 105.7 | P178 | E176-P178 WeakPolarHBondContact O-CD 3.43Š|
| 177 | Y | 36.1 | Very low | 41.1 | Very low | 212 Ų | 212 | 149.9 Ų | 149.9 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | | | trans | -106.4 | 110.6 | -180 | -159.5 | -83.9 | 0 | 0 | 0 | 110.1 | S179 | Y177-S179 PolarHBondContact O-N 2.78Š|
| 178 | P | 50.9 | Low | 41.3 | Very low | 98 Ų | 98 | 151.5 Ų | 151.5 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | | | trans | -64.3 | 110 | -178.5 | -23.9 | 35.2 | 0 | 0 | 0 | 111.8 | E176 Y180 | E176-P178 WeakPolarHBondContact O-CD 3.43Å; P178-Y180 PolarHBondContact O-N 3.24Å |
| 179 | S | 36.8 | Very low | 41.2 | Very low | 107 Ų | 107 | 146 Ų | 146 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | -69.1 | 87.8 | 172.9 | 160.3 | 0 | 0 | 0 | 0 | 110.7 | Y177 S181 | Y177-S179 PolarHBondContact O-N 2.78Å; S179-S181 PolarHBondContact O-N 3.19Å; S179-S181 VanDerWaalsContact O-N 3.11Å |
| 180 | Y | 43.5 | Very low | 41 | Very low | 218 Ų | 218 | 144 Ų | 144 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | | | trans | -82.8 | 73.9 | 160.7 | 82.6 | -86.8 | 0 | 0 | 0 | 110.1 | P178 S182 | P178-Y180 PolarHBondContact O-N 3.24Å; Y180-S182 PolarHBondContact O-N 3.12Å |
| 181 | S | 44.6 | Very low | 40.8 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | | | trans | -76.4 | 115.7 | 166 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | S179 | S179-S181 PolarHBondContact O-N 3.19Å; S179-S181 VanDerWaalsContact O-N 3.11Å |
| 182 | S | 47.1 | Very low | 40.3 | Very low | 80 Ų | 80 | 138 Ų | 138 | 56% | 0.559 | 74% | 0.738 | S | S | * | * | | | trans | 175.6 | 121.9 | 138.2 | -87.4 | 0 | 0 | 0 | 0 | 113.7 | Y180 | Y180-S182 PolarHBondContact O-N 3.12Š|
| 183 | K | 48.3 | Very low | 40.1 | Very low | 186 Ų | 186 | 139.5 Ų | 139.5 | 81% | 0.809 | 74% | 0.744 | S | S | * | * | | | trans | 62.5 | 126.7 | 135 | -56.2 | 164.7 | -167.6 | 169.5 | 0 | 117.4 | | |
| 184 | L | 46.7 | Very low | 40.2 | Very low | 162 Ų | 162 | 137 Ų | 137 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | | | cis | -157.6 | 159.7 | 3.3 | -121.9 | 83.7 | 0 | 0 | 0 | 105.1 | | |
| 185 | A | 32.8 | Very low | 40.6 | Very low | 87 Ų | 87 | 139.4 Ų | 139.4 | 72% | 0.719 | 74% | 0.738 | S | S | * | * | | | cis | -159.5 | 145.4 | -11.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 186 | C | 36.2 | Very low | 40.6 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | | | trans | -156 | 78.3 | 161.5 | -171.6 | 0 | 0 | 0 | 0 | 110.8 | K188 | C186-K188 PolarHBondContact O-N 2.98Š|
| 187 | H | 36.9 | Very low | 40.7 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 82% | 0.819 | 73% | 0.732 | S | S | * | * | | | trans | -83.8 | 91.9 | 164.7 | -108.6 | -87.5 | 0 | 0 | 0 | 109 | N189 | H187-N189 PolarHBondContact ND1-OD1 3.36Š|
| 188 | K | 48.1 | Very low | 41.1 | Very low | 192 Ų | 192 | 131.9 Ų | 131.9 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | | | trans | -106 | 104.8 | 147.8 | -85.9 | -173 | 175.9 | 179.4 | 0 | 107 | C186 Y190 | C186-K188 PolarHBondContact O-N 2.98Å; K188-Y190 PolarHBondContact O-N 3.1Å |
| 189 | N | 41.3 | Very low | 40.5 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 63% | 0.631 | 74% | 0.739 | S | S | * | * | | | trans | -56.4 | 113.9 | 171.7 | -77.5 | -13.7 | 0 | 0 | 0 | 108.6 | H187 T191 | H187-N189 PolarHBondContact ND1-OD1 3.36Å; N189-T191 HydrophobicContact CB-CG2 4.08Å; N189-T191 PolarHBondContact O-N 2.73Å |
| 190 | Y | 38.9 | Very low | 40.7 | Very low | 204 Ų | 204 | 133.3 Ų | 133.3 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | | | trans | -72.1 | 80.4 | 143.8 | -170.9 | -95.1 | 0 | 0 | 0 | 105.8 | K188 T192 | K188-Y190 PolarHBondContact O-N 3.1Å; Y190-T192 PolarHBondContact O-N 2.82Å |
| 191 | T | 34.4 | Very low | 40.7 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | | | trans | -59.4 | 110 | 162.7 | 31.8 | 0 | 0 | 0 | 0 | 106.1 | N189 T193 | N189-T191 HydrophobicContact CB-CG2 4.08Å; N189-T191 PolarHBondContact O-N 2.73Å; T191-T193 VanDerWaalsContact C-N 3.3Å; T191-T193 PolarHBondContact O-N 2.95Å |
| 192 | T | 38.5 | Very low | 40.9 | Very low | 108 Ų | 108 | 130 Ų | 130 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | | | trans | -48 | 96.3 | 164.3 | -50.3 | 0 | 0 | 0 | 0 | 108.6 | Y190 S194 | Y190-T192 PolarHBondContact O-N 2.82Å; T192-S194 PolarHBondContact O-N 2.92Å |
| 193 | T | 36.6 | Very low | 40.7 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | | | trans | -74.1 | 77.4 | 158.5 | 18.2 | 0 | 0 | 0 | 0 | 106.8 | T191 N195 | T191-T193 VanDerWaalsContact C-N 3.3Å; T191-T193 PolarHBondContact O-N 2.95Å; T193-N195 PolarHBondContact O-N 3.5Å |
| 194 | S | 40 | Very low | 40.7 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 55% | 0.545 | 75% | 0.747 | S | S | . | * | | | trans | -59.8 | 80.8 | 148.1 | 46.6 | 0 | 0 | 0 | 0 | 107.4 | T192 E196 | T192-S194 PolarHBondContact O-N 2.92Å; S194-E196 PolarHBondContact O-N 3.15Å |
| 195 | N | 41.7 | Very low | 40.7 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | | | trans | -69.7 | 85.4 | 158.2 | -82.1 | 21.8 | 0 | 0 | 0 | 106.4 | T193 | T193-N195 PolarHBondContact O-N 3.5Š|
| 196 | E | 36.3 | Very low | 41.7 | Very low | 163 Ų | 163 | 125.9 Ų | 125.9 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | | | trans | -58.6 | 158.8 | 163.6 | -67.1 | 175.6 | 74.2 | 0 | 0 | 110.5 | S194 | S194-E196 PolarHBondContact O-N 3.15Š|
| 197 | S | 40.1 | Very low | 42.5 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | | | trans | 105 | 97.6 | 164.1 | -46.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 198 | S | 43.4 | Very low | 43.8 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | | | | 42.8 | 122.8 | 118.6 | -43 | 0 | 0 | 0 | 0 | 117.3 | | |
| 199 | T | 38.1 | Very low | 45 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 85% | 0.847 | 74% | 0.744 | S | S | * | * | | | cis | -171.9 | 158.5 | 41 | -18.5 | 0 | 0 | 0 | 0 | 105.5 | | |
| 200 | S | 42 | Very low | 46.7 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | | | cis | -158.5 | 147.7 | 21.9 | 50.1 | 0 | 0 | 0 | 0 | 113 | | |
| 201 | S | 43.5 | Very low | 48.9 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | | | trans | 33.4 | 99.9 | 150.2 | 58.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 202 | T | 47.8 | Very low | 51.5 | Low | 143 Ų | 143 | 117.9 Ų | 117.9 | 88% | 0.877 | 72% | 0.72 | S | S | * | * | | | | -162.1 | 126.3 | 116.6 | 14.4 | 0 | 0 | 0 | 0 | 110.1 | S204 | T202-S204 PolarHBondContact O-N 2.96Š|
| 203 | P | 44.2 | Very low | 53.8 | Low | 134 Ų | 134 | 113 Ų | 113 | 87% | 0.87 | 69% | 0.69 | S | S | * | * | | | trans | -91.9 | 107 | -173.3 | 33.6 | -32 | 0 | 0 | 0 | 112.2 | | |
| 204 | S | 46.9 | Very low | 56.1 | Low | 97 Ų | 97 | 115.9 Ų | 115.9 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | | | trans | -148 | 107.1 | 167.3 | -170.4 | 0 | 0 | 0 | 0 | 112.4 | T202 | T202-S204 PolarHBondContact O-N 2.96Š|
| 205 | S | 47.6 | Very low | 58 | Low | 95 Ų | 95 | 115.6 Ų | 115.6 | 66% | 0.664 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 44.2 | 86 | 161.6 | 62.3 | 0 | 0 | 0 | 0 | 118.8 | Q207 | S205-Q207 PolarHBondContact O-N 3.49Š|
| 206 | A | 52.4 | Low | 60 | Low | 103 Ų | 103 | 109.9 Ų | 109.9 | 85% | 0.851 | 66% | 0.66 | S | S | * | * | | | trans | 40 | 50.6 | 136.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | K208 | A206-K208 VanDerWaalsContact C-N 3.33Å; A206-K208 PolarHBondContact O-N 2.9Å |
| 207 | Q | 54.3 | Low | 62.3 | Low | 179 Ų | 179 | 104.5 Ų | 104.5 | 84% | 0.836 | 65% | 0.647 | S | S | * | * | | | trans | -74.8 | 81.7 | 174.5 | -65.2 | -172.2 | -12.7 | 0 | 0 | 111.3 | S205 A209 | S205-Q207 PolarHBondContact O-N 3.49Å; Q207-A209 PolarHBondContact O-N 2.94Å; Q207-A209 VanDerWaalsContact O-N 3.12Å |
| 208 | K | 64 | Low | 64.5 | Low | 173 Ų | 173 | 103 Ų | 103 | 75% | 0.752 | 63% | 0.631 | S | S | * | * | | | trans | -59.6 | 114.9 | 166 | -80.1 | -173.2 | 172.7 | -173.8 | 0 | 108.7 | A206 F210 | A206-K208 VanDerWaalsContact C-N 3.33Å; A206-K208 PolarHBondContact O-N 2.9Å; K208-F210 HydrophobicContact CB-CE1 4.32Å; K208-F210 WeakPolarHBondContact O-CD1 3.48Å; K208-F210 WeakPolarHBondContact O-CE1 3.39Å; K208-F210 PolarHBondContact O-N 2.99Å |
| 209 | A | 72.3 | Confident | 66.5 | Low | 103 Ų | 103 | 103.5 Ų | 103.5 | 85% | 0.851 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 124.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q207 | Q207-A209 PolarHBondContact O-N 2.94Å; Q207-A209 VanDerWaalsContact O-N 3.12Å |
| 210 | F | 78.8 | Confident | 68.9 | Low | 135 Ų | 135 | 97.9 Ų | 97.9 | 59% | 0.592 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 132 | -177.6 | -60.5 | -53.5 | 0 | 0 | 0 | 110.7 | K208 K219 | K208-F210 HydrophobicContact CB-CE1 4.32Å; K208-F210 WeakPolarHBondContact O-CD1 3.48Å; K208-F210 WeakPolarHBondContact O-CE1 3.39Å; K208-F210 PolarHBondContact O-N 2.99Å; F210-K219 HydrophobicContact CB-CG 4.14Å; F210-K219 HydrophobicContact CD1-CD 4.33Å; F210-K219 HydrophobicContact CD1-CG 4.32Å; F210-K219 HydrophobicContact CG-CD 4.39Å; F210-K219 HydrophobicContact CG-CG 4.16Å |
| 211 | V | 85 | Confident | 70.8 | Confident | 82 Ų | 82 | 96.4 Ų | 96.4 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -82.8 | 128.1 | 174.8 | -167.9 | 0 | 0 | 0 | 0 | 108.9 | A220 T228 | V211-A220 WeakPolarHBondContact O-CB 3.4Å; V211-A220 PolarHBondContact O-N 2.82Å; V211-T228 HydrophobicContact CB-CG2 4.1Å; V211-T228 HydrophobicContact CG1-CG2 3.64Å |
| 212 | P | 87.6 | Confident | 72.7 | Confident | 70 Ų | 70 | 92.5 Ų | 92.5 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | B | Isolated β-bridge | trans | -76.3 | 146.7 | 177.3 | 30.2 | -34.5 | 0 | 0 | 0 | 111.8 | K214 G217 | P212-K214 PolarHBondContact O-N 3.1Å; P212-G217 VanDerWaalsContact CB-O 3.31Å; P212-G217 WeakPolarHBondContact CB-O 3.3Å |
| 213 | C | 88.3 | Confident | 74.4 | Confident | 4 Ų | 4 | 94 Ų | 94 | 3% | 0.027 | 54% | 0.543 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 128.3 | 174.3 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | V215 C216 G217 D218 T228 C230 | C213-V215 PolarHBondContact O-N 3.46Å; C213-V215 VanDerWaalsContact O-N 3.15Å; C213-V215 PolarHBondContact SG-N 3.26Å; C213-C216 PolarHBondContact O-N 3.49Å; C213-C216 VanDerWaalsContact SG-SG 3.6Å; C213-G217 VanDerWaalsContact O-CA 3.3Å; C213-G217 WeakPolarHBondContact O-CA 3.31Å; C213-G217 PolarHBondContact O-N 3.06Å; C213-D218 WeakPolarHBondContact CB-O 3.28Å; C213-D218 PolarHBondContact N-O 2.9Å; C213-T228 WeakPolarHBondContact CA-O 3.08Å; C213-C230 HydrophobicContact CB-CB 4.03Å |
| 214 | K | 83.6 | Confident | 76.1 | Confident | 172 Ų | 172 | 89.8 Ų | 89.8 | 75% | 0.748 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -8.6 | 179 | -68.4 | -64.7 | -172.5 | 176.3 | 0 | 114.7 | P212 T228 | P212-K214 PolarHBondContact O-N 3.1Å; K214-T228 PolarHBondContact N-O 2.78Å |
| 215 | V | 80.9 | Confident | 77.5 | Confident | 72 Ų | 72 | 91.1 Ų | 91.1 | 44% | 0.436 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -30.8 | -178.4 | -174 | 0 | 0 | 0 | 0 | 112.6 | C213 C233 | C213-V215 PolarHBondContact O-N 3.46Å; C213-V215 VanDerWaalsContact O-N 3.15Å; C213-V215 PolarHBondContact SG-N 3.26Å; V215-C233 HydrophobicContact CB-CB 4.28Å; V215-C233 HydrophobicContact CG1-CB 4.44Å |
| 216 | C | 83.1 | Confident | 79.1 | Confident | 26 Ų | 26 | 90 Ų | 90 | 18% | 0.176 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.8 | -5.9 | -175.9 | 65.1 | 0 | 0 | 0 | 0 | 115.8 | C213 D218 C230 C233 C250 | C213-C216 PolarHBondContact O-N 3.49Å; C213-C216 VanDerWaalsContact SG-SG 3.6Å; C216-D218 VanDerWaalsContact C-N 3.26Å; C216-D218 PolarHBondContact O-N 3.33Å; C216-D218 WeakPolarHBondContact SG-CB 3.19Å; C216-C230 PolarHBondContact SG-SG 3.33Å; C216-C233 VanDerWaalsContact SG-SG 3.63Å; C216-C250 VanDerWaalsContact CB-SG 3.56Å |
| 217 | G | 83.5 | Confident | 80.5 | Confident | 49 Ų | 49 | 88.4 Ų | 88.4 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | S | Bend | trans | 82.4 | -15.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P212 C213 | P212-G217 VanDerWaalsContact CB-O 3.31Å; P212-G217 WeakPolarHBondContact CB-O 3.3Å; C213-G217 VanDerWaalsContact O-CA 3.3Å; C213-G217 WeakPolarHBondContact O-CA 3.31Å; C213-G217 PolarHBondContact O-N 3.06Å |
| 218 | D | 87.6 | Confident | 82 | Confident | 78 Ų | 78 | 80.7 Ų | 80.7 | 42% | 0.417 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -65.4 | 160.2 | -178.1 | -164.6 | 7.1 | 0 | 0 | 0 | 112.9 | C213 C216 A220 C230 | C213-D218 WeakPolarHBondContact CB-O 3.28Å; C213-D218 PolarHBondContact N-O 2.9Å; C216-D218 VanDerWaalsContact C-N 3.26Å; C216-D218 PolarHBondContact O-N 3.33Å; C216-D218 WeakPolarHBondContact SG-CB 3.19Å; D218-A220 PolarHBondContact O-N 2.84Å; D218-A220 VanDerWaalsContact O-N 3.1Å; D218-C230 HydrophobicContact CB-CB 4.14Å |
| 219 | K | 85.7 | Confident | 83 | Confident | 120 Ų | 120 | 72.7 Ų | 72.7 | 52% | 0.522 | 42% | 0.417 | S | S | . | . | B | Isolated β-bridge | trans | -53.7 | 114.8 | -178.8 | -172.1 | -166.2 | -174.5 | -171.8 | 0 | 111.4 | F210 C230 | F210-K219 HydrophobicContact CB-CG 4.14Å; F210-K219 HydrophobicContact CD1-CD 4.33Å; F210-K219 HydrophobicContact CD1-CG 4.32Å; F210-K219 HydrophobicContact CG-CD 4.39Å; F210-K219 HydrophobicContact CG-CG 4.16Å; K219-C230 VanDerWaalsContact O-CB 3.28Å; K219-C230 WeakPolarHBondContact O-CB 3.41Å |
| 220 | A | 87.1 | Confident | 83.7 | Confident | 19 Ų | 19 | 68 Ų | 68 | 16% | 0.157 | 38% | 0.378 | C | S | . | . | | | trans | -72.8 | 140.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V211 D218 T228 S229 | V211-A220 WeakPolarHBondContact O-CB 3.4Å; V211-A220 PolarHBondContact O-N 2.82Å; D218-A220 PolarHBondContact O-N 2.84Å; D218-A220 VanDerWaalsContact O-N 3.1Å; A220-T228 HydrophobicContact CB-CG2 3.33Å; A220-S229 VanDerWaalsContact CA-O 3.27Å; A220-S229 WeakPolarHBondContact CA-O 3.35Å; A220-S229 WeakPolarHBondContact CB-O 3.27Å |
| 221 | S | 83.4 | Confident | 84 | Confident | 66 Ų | 66 | 66 Ų | 66 | 46% | 0.462 | 37% | 0.371 | S | S | . | . | | | trans | -90.9 | -23.7 | 171.4 | 50.2 | 0 | 0 | 0 | 0 | 112.1 | S229 E231 | S221-S229 PolarHBondContact N-O 2.9Å; S221-S229 VanDerWaalsContact N-O 3.09Å; S221-E231 WeakPolarHBondContact CB-OE1 3.48Å; S221-E231 PolarHBondContact OG-OE1 3.38Å |
| 222 | G | 82 | Confident | 83.8 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 24% | 0.237 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.2 | -162.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | S229 | G222-S229 PolarHBondContact O-N 2.58Å |
| 223 | Y | 83.2 | Confident | 83 | Confident | 173 Ų | 173 | 61.3 Ų | 61.3 | 68% | 0.678 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 122.6 | 169.6 | -70.6 | -93.5 | 0 | 0 | 0 | 109.5 | T228 | Y223-T228 WeakPolarHBondContact CE1-OG1 3.21Å |
| 224 | H | 79.9 | Confident | 82.2 | Confident | 46 Ų | 46 | 64.3 Ų | 64.3 | 21% | 0.213 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 132.9 | 172.8 | -54.3 | -51.9 | 0 | 0 | 0 | 108.3 | G226 V227 S229 | H224-G226 PolarHBondContact O-N 3.02Å; H224-G226 VanDerWaalsContact O-N 3.17Å; H224-V227 PolarHBondContact N-O 3.18Å; H224-V227 WeakPolarHBondContact O-CG2 3.19Å; H224-V227 PolarHBondContact O-N 3.01Å; H224-V227 VanDerWaalsContact O-N 3.08Å; H224-S229 WeakPolarHBondContact CB-OG 3.39Å; H224-S229 PolarHBondContact CD2-OG 2.83Å |
| 225 | Y | 77.1 | Confident | 81.4 | Confident | 125 Ų | 125 | 61.2 Ų | 61.2 | 49% | 0.49 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 30.6 | -176.8 | -44 | -73.9 | 0 | 0 | 0 | 114.6 | V227 Q237 R238 | Y225-V227 VanDerWaalsContact C-N 3.31Å; Y225-V227 PolarHBondContact O-N 3.05Å; Y225-Q237 HydrophobicContact CE2-CB 4.26Å; Y225-Q237 HydrophobicContact CE2-CG 4.5Å; Y225-R238 PolarHBondContact OH-NH1 2.91Å |
| 226 | G | 81.6 | Confident | 80.5 | Confident | 71 Ų | 71 | 61.9 Ų | 61.9 | 73% | 0.732 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | -4.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | H224 | H224-G226 PolarHBondContact O-N 3.02Å; H224-G226 VanDerWaalsContact O-N 3.17Å |
| 227 | V | 81 | Confident | 79.2 | Confident | 71 Ų | 71 | 64.7 Ų | 64.7 | 43% | 0.43 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 147.1 | 179.7 | -64.1 | 0 | 0 | 0 | 0 | 112.5 | H224 Y225 S229 | H224-V227 PolarHBondContact N-O 3.18Å; H224-V227 WeakPolarHBondContact O-CG2 3.19Å; H224-V227 PolarHBondContact O-N 3.01Å; H224-V227 VanDerWaalsContact O-N 3.08Å; Y225-V227 VanDerWaalsContact C-N 3.31Å; Y225-V227 PolarHBondContact O-N 3.05Å; V227-S229 PolarHBondContact O-N 2.79Å; V227-S229 PolarHBondContact O-OG 3.12Å |
| 228 | T | 87.3 | Confident | 77.7 | Confident | 17 Ų | 17 | 71.9 Ų | 71.9 | 10% | 0.104 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 117.5 | 176.7 | -48.9 | 0 | 0 | 0 | 0 | 109.9 | V211 C213 K214 A220 Y223 | V211-T228 HydrophobicContact CB-CG2 4.1Å; V211-T228 HydrophobicContact CG1-CG2 3.64Å; C213-T228 WeakPolarHBondContact CA-O 3.08Å; K214-T228 PolarHBondContact N-O 2.78Å; A220-T228 HydrophobicContact CB-CG2 3.33Å; Y223-T228 WeakPolarHBondContact CE1-OG1 3.21Å |
| 229 | S | 85.1 | Confident | 75.8 | Confident | 5 Ų | 5 | 72.4 Ų | 72.4 | 4% | 0.035 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 151.7 | -169.8 | 45.8 | 0 | 0 | 0 | 0 | 113.9 | A220 S221 G222 H224 V227 | A220-S229 VanDerWaalsContact CA-O 3.27Å; A220-S229 WeakPolarHBondContact CA-O 3.35Å; A220-S229 WeakPolarHBondContact CB-O 3.27Å; S221-S229 PolarHBondContact N-O 2.9Å; S221-S229 VanDerWaalsContact N-O 3.09Å; G222-S229 PolarHBondContact O-N 2.58Å; H224-S229 WeakPolarHBondContact CB-OG 3.39Å; H224-S229 PolarHBondContact CD2-OG 2.83Å; V227-S229 PolarHBondContact O-N 2.79Å; V227-S229 PolarHBondContact O-OG 3.12Å |
| 230 | C | 85.8 | Confident | 73.8 | Confident | 5 Ų | 5 | 69.5 Ų | 69.5 | 3% | 0.034 | 41% | 0.414 | C | S | . | . | | | trans | -86.2 | 164.1 | 172.1 | 71 | 0 | 0 | 0 | 0 | 110.9 | C213 C216 D218 K219 G232 C233 K234 | C213-C230 HydrophobicContact CB-CB 4.03Å; C216-C230 PolarHBondContact SG-SG 3.33Å; D218-C230 HydrophobicContact CB-CB 4.14Å; K219-C230 VanDerWaalsContact O-CB 3.28Å; K219-C230 WeakPolarHBondContact O-CB 3.41Å; C230-G232 PolarHBondContact O-N 3.35Å; C230-C233 PolarHBondContact O-N 3.09Å; C230-C233 VanDerWaalsContact O-N 3.14Å; C230-C233 PolarHBondContact SG-N 3.26Å; C230-C233 VanDerWaalsContact SG-SG 3.62Å; C230-K234 WeakPolarHBondContact O-CB 3.34Å; C230-K234 PolarHBondContact O-N 3.41Å |
| 231 | E | 84.9 | Confident | 71.8 | Confident | 93 Ų | 93 | 74.6 Ų | 74.6 | 44% | 0.435 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57.2 | -32.2 | 179.1 | -70.7 | -61 | 128.9 | 0 | 0 | 112.9 | S221 K234 V235 | S221-E231 WeakPolarHBondContact CB-OE1 3.48Å; S221-E231 PolarHBondContact OG-OE1 3.38Å; E231-K234 IonicContact OE1-NZ 2.79Å; E231-K234 PolarHBondContact OE1-NZ 3.02Å; E231-K234 WeakPolarHBondContact OE2-CD 3.43Å; E231-K234 IonicContact OE2-NZ 2.8Å; E231-K234 PolarHBondContact OE2-NZ 3.14Å; E231-V235 PolarHBondContact O-N 3.15Å |
| 232 | G | 80.3 | Confident | 69.9 | Low | 37 Ų | 37 | 75.6 Ų | 75.6 | 38% | 0.381 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.2 | -51 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | C230 K234 V235 C236 | C230-G232 PolarHBondContact O-N 3.35Å; G232-K234 VanDerWaalsContact C-N 3.29Å; G232-K234 PolarHBondContact O-N 3.38Å; G232-V235 WeakPolarHBondContact O-CG2 3.4Å; G232-V235 PolarHBondContact O-N 3.32Å; G232-C236 PolarHBondContact O-N 3.17Å; G232-C236 VanDerWaalsContact O-N 3.15Å; G232-C236 PolarHBondContact O-SG 2.97Å |
| 233 | C | 71.9 | Confident | 68.4 | Low | 15 Ų | 15 | 80 Ų | 80 | 10% | 0.101 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -67.8 | -29.4 | 179.7 | -65.4 | 0 | 0 | 0 | 0 | 113 | V215 C216 C230 | V215-C233 HydrophobicContact CB-CB 4.28Å; V215-C233 HydrophobicContact CG1-CB 4.44Å; C216-C233 VanDerWaalsContact SG-SG 3.63Å; C230-C233 PolarHBondContact O-N 3.09Å; C230-C233 VanDerWaalsContact O-N 3.14Å; C230-C233 PolarHBondContact SG-N 3.26Å; C230-C233 VanDerWaalsContact SG-SG 3.62Å |
| 234 | K | 71.7 | Confident | 66.8 | Low | 67 Ų | 67 | 81.8 Ų | 81.8 | 29% | 0.291 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 175.5 | -179.7 | -166.6 | -174 | -177.9 | 0 | 112.8 | C230 E231 G232 | C230-K234 WeakPolarHBondContact O-CB 3.34Å; C230-K234 PolarHBondContact O-N 3.41Å; E231-K234 IonicContact OE1-NZ 2.79Å; E231-K234 PolarHBondContact OE1-NZ 3.02Å; E231-K234 WeakPolarHBondContact OE2-CD 3.43Å; E231-K234 IonicContact OE2-NZ 2.8Å; E231-K234 PolarHBondContact OE2-NZ 3.14Å; G232-K234 VanDerWaalsContact C-N 3.29Å; G232-K234 PolarHBondContact O-N 3.38Å |
| 235 | V | 66.6 | Low | 65.5 | Low | 108 Ų | 108 | 83.7 Ų | 83.7 | 66% | 0.655 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -89.4 | -19.5 | -179.5 | -57.7 | 0 | 0 | 0 | 0 | 113.9 | E231 G232 Q237 | E231-V235 PolarHBondContact O-N 3.15Å; G232-V235 WeakPolarHBondContact O-CG2 3.4Å; G232-V235 PolarHBondContact O-N 3.32Å; V235-Q237 PolarHBondContact O-N 3.08Å; V235-Q237 VanDerWaalsContact O-N 3.17Å |
| 236 | C | 61.5 | Low | 64.5 | Low | 85 Ų | 85 | 81.6 Ų | 81.6 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -70.1 | -2.5 | 173.1 | -71.9 | 0 | 0 | 0 | 0 | 114.1 | G232 | G232-C236 PolarHBondContact O-N 3.17Å; G232-C236 VanDerWaalsContact O-N 3.15Å; G232-C236 PolarHBondContact O-SG 2.97Å |
| 237 | Q | 55.7 | Low | 63.2 | Low | 85 Ų | 85 | 80.3 Ų | 80.3 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -99.9 | 107.4 | -178 | -143.2 | 153.7 | 18.4 | 0 | 0 | 110.3 | Y225 V235 | Y225-Q237 HydrophobicContact CE2-CB 4.26Å; Y225-Q237 HydrophobicContact CE2-CG 4.5Å; V235-Q237 PolarHBondContact O-N 3.08Å; V235-Q237 VanDerWaalsContact O-N 3.17Å |
| 238 | R | 52.1 | Low | 62.1 | Low | 200 Ų | 200 | 81.1 Ų | 81.1 | 76% | 0.755 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 96 | 80.7 | -174.6 | -54.9 | 172.2 | -179 | 111.1 | -4.7 | 115.8 | Y225 G240 | Y225-R238 PolarHBondContact OH-NH1 2.91Å; R238-G240 PolarHBondContact O-N 3.46Å |
| 239 | G | 47.7 | Very low | 60.8 | Low | 90 Ų | 90 | 89.4 Ų | 89.4 | 93% | 0.928 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 75.4 | 21.7 | 142.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 240 | G | 44.3 | Very low | 59.2 | Low | 58 Ų | 58 | 90.8 Ų | 90.8 | 60% | 0.598 | 57% | 0.572 | S | S | * | * | | | trans | -111.9 | 110.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | R238 S242 | R238-G240 PolarHBondContact O-N 3.46Å; G240-S242 PolarHBondContact O-N 3.45Å; G240-S242 VanDerWaalsContact O-N 3.12Å |
| 241 | S | 44.6 | Very low | 57.9 | Low | 126 Ų | 126 | 96.3 Ų | 96.3 | 88% | 0.881 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 47.8 | 43.9 | 149 | 46.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 242 | S | 44.6 | Very low | 56.3 | Low | 88 Ų | 88 | 99.4 Ų | 99.4 | 62% | 0.615 | 62% | 0.622 | S | S | * | * | | | trans | -141.3 | 107.2 | 135.3 | -79.8 | 0 | 0 | 0 | 0 | 108.8 | G240 R244 | G240-S242 PolarHBondContact O-N 3.45Å; G240-S242 VanDerWaalsContact O-N 3.12Å; S242-R244 PolarHBondContact O-N 3.22Å |
| 243 | A | 49.6 | Very low | 54.8 | Low | 114 Ų | 114 | 103.5 Ų | 103.5 | 94% | 0.942 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -70.3 | 11.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 244 | R | 50.2 | Low | 53.8 | Low | 211 Ų | 211 | 107.5 Ų | 107.5 | 80% | 0.796 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -137.4 | 129.1 | 168.9 | -82.6 | 168.4 | -107.1 | -177.3 | -4.9 | 105.8 | S242 S246 | S242-R244 PolarHBondContact O-N 3.22Å; R244-S246 PolarHBondContact O-N 3.31Å |
| 245 | G | 51.6 | Low | 53 | Low | 86 Ų | 86 | 109.3 Ų | 109.3 | 89% | 0.887 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -72.6 | 55 | -165 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 246 | S | 56 | Low | 52.4 | Low | 82 Ų | 82 | 108.3 Ų | 108.3 | 57% | 0.573 | 68% | 0.675 | S | S | * | * | | | trans | -119.8 | 105.8 | 178.8 | 55.3 | 0 | 0 | 0 | 0 | 110.3 | R244 G248 | R244-S246 PolarHBondContact O-N 3.31Å; S246-G248 PolarHBondContact O-N 3.31Å; S246-G248 VanDerWaalsContact O-N 3.1Å |
| 247 | C | 54.1 | Low | 51.9 | Low | 44 Ų | 44 | 111 Ų | 111 | 30% | 0.297 | 68% | 0.682 | S | S | . | * | | | trans | -63 | 110.5 | 160.2 | 174.8 | 0 | 0 | 0 | 0 | 107.5 | R249 C250 | C247-R249 PolarHBondContact O-N 3.13Å; C247-C250 HydrophobicContact CB-CB 4.22Å; C247-C250 PolarHBondContact O-N 2.8Å; C247-C250 VanDerWaalsContact SG-SG 3.67Å |
| 248 | G | 57.6 | Low | 51.6 | Low | 88 Ų | 88 | 110.7 Ų | 110.7 | 91% | 0.907 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 17.8 | -180 | 0 | 0 | 0 | 0 | 0 | 115.2 | S246 | S246-G248 PolarHBondContact O-N 3.31Å; S246-G248 VanDerWaalsContact O-N 3.1Å |
| 249 | R | 61.2 | Low | 51.3 | Low | 190 Ų | 190 | 105.7 Ų | 105.7 | 72% | 0.717 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.9 | -0.6 | 177.3 | -158.1 | 159.7 | -68.2 | -120.1 | -5.3 | 112.4 | C247 | C247-R249 PolarHBondContact O-N 3.13Š|
| 250 | C | 51.9 | Low | 51.6 | Low | 35 Ų | 35 | 112.9 Ų | 112.9 | 24% | 0.236 | 69% | 0.685 | C | S | . | * | | | trans | -96 | 115.8 | 170.2 | -67 | 0 | 0 | 0 | 0 | 109.5 | C216 C247 Q252 | C216-C250 VanDerWaalsContact CB-SG 3.56Å; C247-C250 HydrophobicContact CB-CB 4.22Å; C247-C250 PolarHBondContact O-N 2.8Å; C247-C250 VanDerWaalsContact SG-SG 3.67Å; C250-Q252 PolarHBondContact O-N 3.36Å |
| 251 | P | 58 | Low | 51.9 | Low | 120 Ų | 120 | 117.4 Ų | 117.4 | 78% | 0.779 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -77.9 | 9.7 | 177.9 | 32.3 | -35.9 | 0 | 0 | 0 | 114.1 | | |
| 252 | Q | 50.7 | Low | 51.9 | Low | 159 Ų | 159 | 114.7 Ų | 114.7 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -136.4 | 136.5 | -177.9 | -67.1 | -177.4 | -10.1 | 0 | 0 | 110.6 | C250 L254 | C250-Q252 PolarHBondContact O-N 3.36Å; Q252-L254 PolarHBondContact O-N 2.96Å |
| 253 | S | 49.5 | Very low | 51.9 | Low | 123 Ų | 123 | 114.7 Ų | 114.7 | 86% | 0.86 | 69% | 0.69 | S | S | * | * | | | trans | -77.3 | 37.5 | -173.7 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | V255 | S253-V255 VanDerWaalsContact C-N 3.33Å; S253-V255 PolarHBondContact O-N 3.17Å |
| 254 | L | 50.3 | Low | 51.6 | Low | 98 Ų | 98 | 116.4 Ų | 116.4 | 51% | 0.513 | 68% | 0.683 | S | S | . | * | | | trans | -77.8 | 87.1 | -179.7 | -163.1 | 135.1 | 0 | 0 | 0 | 109.5 | Q252 V256 | Q252-L254 PolarHBondContact O-N 2.96Å; L254-V256 HydrophobicContact CD2-CG2 3.66Å; L254-V256 PolarHBondContact O-N 3.46Å |
| 255 | V | 56.2 | Low | 51.2 | Low | 105 Ų | 105 | 110.7 Ų | 110.7 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | | | trans | -63 | 102.4 | 166.7 | 179.1 | 0 | 0 | 0 | 0 | 107 | S253 L257 | S253-V255 VanDerWaalsContact C-N 3.33Å; S253-V255 PolarHBondContact O-N 3.17Å; V255-L257 HydrophobicContact CG1-CD2 4.05Å; V255-L257 HydrophobicContact CG1-CG 4.2Å; V255-L257 PolarHBondContact O-N 3.11Å |
| 256 | V | 52.8 | Low | 51.2 | Low | 88 Ų | 88 | 110.1 Ų | 110.1 | 53% | 0.533 | 66% | 0.661 | S | S | . | * | | | trans | -68 | 89.1 | 167.6 | -177.6 | 0 | 0 | 0 | 0 | 107.1 | L254 A258 | L254-V256 HydrophobicContact CD2-CG2 3.66Å; L254-V256 PolarHBondContact O-N 3.46Å; V256-A258 VanDerWaalsContact C-N 3.25Å; V256-A258 PolarHBondContact O-N 2.99Å |
| 257 | L | 50.3 | Low | 51 | Low | 140 Ų | 140 | 109.9 Ų | 109.9 | 73% | 0.733 | 66% | 0.659 | S | S | * | * | | | trans | -63.1 | 95.3 | 162.1 | -70.1 | 177 | 0 | 0 | 0 | 106.6 | V255 T259 | V255-L257 HydrophobicContact CG1-CD2 4.05Å; V255-L257 HydrophobicContact CG1-CG 4.2Å; V255-L257 PolarHBondContact O-N 3.11Å; L257-T259 PolarHBondContact O-N 3.22Å |
| 258 | A | 50.5 | Low | 50.7 | Low | 79 Ų | 79 | 115 Ų | 115 | 65% | 0.653 | 68% | 0.684 | S | S | * | * | | | trans | -74.1 | 66.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | V256 R260 | V256-A258 VanDerWaalsContact C-N 3.25Å; V256-A258 PolarHBondContact O-N 2.99Å; A258-R260 PolarHBondContact O-N 3.03Å |
| 259 | T | 46.5 | Very low | 50.3 | Low | 95 Ų | 95 | 114.9 Ų | 114.9 | 58% | 0.583 | 67% | 0.674 | S | S | * | * | | | trans | -60.5 | 132 | 160.8 | 48.5 | 0 | 0 | 0 | 0 | 107.6 | L257 E261 | L257-T259 PolarHBondContact O-N 3.22Å; T259-E261 PolarHBondContact O-N 2.96Å; T259-E261 PolarHBondContact OG1-O 3.36Å; T259-E261 VanDerWaalsContact OG1-O 3.13Å |
| 260 | R | 53 | Low | 49.4 | Very low | 241 Ų | 241 | 114.2 Ų | 114.2 | 91% | 0.909 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -67.6 | -15.9 | 179.9 | -68.5 | 177.7 | 166.6 | -167.8 | -5.4 | 112.4 | A258 | A258-R260 PolarHBondContact O-N 3.03Š|
| 261 | E | 51.5 | Low | 49.5 | Very low | 153 Ų | 153 | 116.7 Ų | 116.7 | 72% | 0.715 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -97.4 | 118.6 | 175.8 | -30.1 | -66.2 | 102.3 | 0 | 0 | 108.6 | T259 | T259-E261 PolarHBondContact O-N 2.96Å; T259-E261 PolarHBondContact OG1-O 3.36Å; T259-E261 VanDerWaalsContact OG1-O 3.13Å |
| 262 | A | 43.6 | Very low | 49.5 | Very low | 69 Ų | 69 | 120.9 Ų | 120.9 | 57% | 0.57 | 73% | 0.731 | S | S | * | * | | | trans | 57.5 | 111.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | L264 | A262-L264 VanDerWaalsContact C-N 3.31Å; A262-L264 HydrophobicContact CB-CD1 3.56Å; A262-L264 PolarHBondContact O-N 3.4Å |
| 263 | G | 44.7 | Very low | 49.5 | Very low | 88 Ų | 88 | 119 Ų | 119 | 91% | 0.907 | 73% | 0.731 | S | S | * | * | | | trans | -75 | 73.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 264 | L | 42.7 | Very low | 49.5 | Very low | 150 Ų | 150 | 118.7 Ų | 118.7 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | | | trans | -91.2 | 117.5 | 166.9 | -71 | 101.7 | 0 | 0 | 0 | 110.5 | A262 A266 | A262-L264 VanDerWaalsContact C-N 3.31Å; A262-L264 HydrophobicContact CB-CD1 3.56Å; A262-L264 PolarHBondContact O-N 3.4Å; L264-A266 PolarHBondContact O-N 3.39Å |
| 265 | C | 43.1 | Very low | 49.4 | Very low | 92 Ų | 92 | 119.9 Ų | 119.9 | 62% | 0.622 | 74% | 0.736 | S | S | * | * | | | trans | -59.9 | 118.9 | 160.2 | -44.9 | 0 | 0 | 0 | 0 | 107.6 | S267 | C265-S267 WeakPolarHBondContact CB-OG 3.49Å; C265-S267 PolarHBondContact O-N 3.15Å |
| 266 | A | 51.7 | Low | 49 | Very low | 74 Ų | 74 | 120.8 Ų | 120.8 | 61% | 0.612 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 22.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L264 | L264-A266 PolarHBondContact O-N 3.39Š|
| 267 | S | 52.1 | Low | 48.8 | Very low | 76 Ų | 76 | 122.8 Ų | 122.8 | 53% | 0.531 | 76% | 0.755 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.9 | -14.7 | -178.3 | 45.7 | 0 | 0 | 0 | 0 | 114.3 | C265 | C265-S267 WeakPolarHBondContact CB-OG 3.49Å; C265-S267 PolarHBondContact O-N 3.15Å |
| 268 | D | 47.9 | Very low | 48.7 | Very low | 151 Ų | 151 | 121.7 Ų | 121.7 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -95.1 | 8.1 | 179.3 | -74.8 | -87.7 | 0 | 0 | 0 | 113.6 | | |
| 269 | A | 47.2 | Very low | 48.5 | Very low | 86 Ų | 86 | 124.7 Ų | 124.7 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -96 | 18.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 270 | M | 43.4 | Very low | 48.7 | Very low | 177 Ų | 177 | 127 Ų | 127 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | | | trans | -130.9 | 68.3 | -176.1 | -71.9 | 172.7 | -177.5 | 0 | 0 | 111.5 | | |
| 271 | A | 54.8 | Low | 48.3 | Very low | 87 Ų | 87 | 117.5 Ų | 117.5 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | | | trans | -117.6 | 145 | 154.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 272 | P | 57.5 | Low | 48.1 | Very low | 207 Ų | 207 | 114.3 Ų | 114.3 | 100% | 1.344 | 77% | 0.771 | S | S | * | * | | | trans | -71.1 | 0 | -170.9 | 30.9 | -37.2 | 0 | 0 | 0 | 114.2 | | |