| 1 | V | 45.9 | Very low | 40.9 | Very low | 185 Ų | 185 | 148.3 Ų | 148.3 | 100% | 1.121 | 82% | 0.819 | S | S | * | * | | | | 0 | 42.6 | 0 | -148.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 2 | R | 38.4 | Very low | 40.7 | Very low | 245 Ų | 245 | 142 Ų | 142 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | | | cis | -10.4 | 134.4 | 48.2 | -82.1 | -178.9 | -96.4 | -162.1 | -5.1 | 118.1 | | |
| 3 | A | 38.9 | Very low | 40.4 | Very low | 95 Ų | 95 | 145.4 Ų | 145.4 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | | | trans | 72.6 | 84 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 4 | A | 47.7 | Very low | 39.8 | Very low | 95 Ų | 95 | 140.8 Ų | 140.8 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | | | trans | 175.4 | 66.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 5 | R | 43.3 | Very low | 39.4 | Very low | 195 Ų | 195 | 145.9 Ų | 145.9 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | | | cis | 69.4 | 103.3 | 47.1 | -164.3 | 171.4 | -165 | -153.2 | -12.4 | 113.4 | | |
| 6 | E | 39.7 | Very low | 39.7 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 67% | 0.668 | 82% | 0.817 | S | S | * | * | | | trans | 53.9 | 101.7 | 151.5 | -66.9 | 156.3 | -150.2 | 0 | 0 | 118.9 | | |
| 7 | Q | 44.6 | Very low | 39.7 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -135.6 | 115.3 | 132.7 | -86.4 | -140.9 | -33.5 | 0 | 0 | 110.7 | | |
| 8 | I | 44.6 | Very low | 39.6 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | | | trans | 31.7 | 150.6 | 140.1 | 58.3 | 159 | 0 | 0 | 0 | 121.8 | | |
| 9 | S | 34.1 | Very low | 39.5 | Very low | 99 Ų | 99 | 142 Ų | 142 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | | | cis | -171.9 | 154.8 | -24.1 | -102.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 10 | I | 34.8 | Very low | 39.3 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | | | trans | 16.5 | 124.5 | 145.8 | -64.9 | 159.5 | 0 | 0 | 0 | 118.1 | | |
| 11 | G | 38 | Very low | 39.2 | Very low | 84 Ų | 84 | 143.7 Ų | 143.7 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | | | trans | -178 | 50.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 12 | G | 38.8 | Very low | 38.4 | Very low | 73 Ų | 73 | 142.5 Ų | 142.5 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | -107.5 | 138.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 13 | L | 35.7 | Very low | 38.2 | Very low | 186 Ų | 186 | 133.7 Ų | 133.7 | 97% | 0.974 | 77% | 0.774 | S | S | * | * | | | trans | -143.2 | 153.4 | 166.3 | -77.6 | 179.2 | 0 | 0 | 0 | 109.8 | | |
| 14 | A | 32.3 | Very low | 38.4 | Very low | 81 Ų | 81 | 135.2 Ų | 135.2 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | | | trans | -157.2 | 163.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 15 | Y | 33.7 | Very low | 37.8 | Very low | 218 Ų | 218 | 137 Ų | 137 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | | | trans | 69.3 | 155.8 | 167.7 | -70.4 | -66.3 | 0 | 0 | 0 | 115.8 | | |
| 16 | P | 44.7 | Very low | 37.4 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | cis | -129.7 | 179.2 | 36.2 | 41.8 | -24.7 | 0 | 0 | 0 | 117.8 | | |
| 17 | P | 40.4 | Very low | 37.1 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | | | trans | -117.8 | 157.6 | -173.6 | 41.1 | -30.4 | 0 | 0 | 0 | 116.8 | | |
| 18 | L | 36.4 | Very low | 36.6 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | | | trans | 67 | 144.9 | 161.4 | -64.8 | 176.5 | 0 | 0 | 0 | 117.4 | | |
| 19 | P | 39.3 | Very low | 36.1 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | | -133 | -166.2 | 67 | 38.4 | -20.9 | 0 | 0 | 0 | 116.2 | | |
| 20 | L | 35.5 | Very low | 36 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -110.2 | 178.5 | -162.1 | -82.6 | 164.5 | 0 | 0 | 0 | 115.3 | | |
| 21 | H | 35.9 | Very low | 35.7 | Very low | 161 Ų | 161 | 135 Ų | 135 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | | | trans | 88.6 | 134.4 | 151.7 | -164 | 85.9 | 0 | 0 | 0 | 116.9 | | |
| 22 | E | 29.8 | Very low | 35.5 | Very low | 160 Ų | 160 | 135 Ų | 135 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | cis | -163.8 | 158.5 | -18.6 | 174 | 167.2 | 122.3 | 0 | 0 | 110.5 | | |
| 23 | G | 35 | Very low | 35.1 | Very low | 59 Ų | 59 | 140.1 Ų | 140.1 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | | | trans | -156.4 | 143.9 | 168 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 24 | P | 41.3 | Very low | 35.2 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | -70.7 | 156.5 | -167.2 | -21.9 | 35.2 | 0 | 0 | 0 | 115.8 | | |
| 25 | P | 36.4 | Very low | 36.2 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | trans | -87.6 | 152.4 | -164.7 | 34.1 | -37 | 0 | 0 | 0 | 115.4 | | |
| 26 | R | 33.5 | Very low | 35.8 | Very low | 246 Ų | 246 | 133.2 Ų | 133.2 | 93% | 0.928 | 78% | 0.781 | S | S | * | * | | | trans | -138 | 129.6 | 155.2 | -159.6 | 176 | -170.7 | 91.7 | -0.8 | 108.8 | | |
| 27 | A | 34.3 | Very low | 35 | Very low | 96 Ų | 96 | 133 Ų | 133 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 136.4 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 28 | P | 35.1 | Very low | 34.3 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 152.5 | 166.6 | 34.9 | -33.4 | 0 | 0 | 0 | 111.5 | | |
| 29 | S | 33.2 | Very low | 33.8 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 120.6 | 173.1 | -163.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 30 | G | 31.5 | Very low | 33.1 | Very low | 65 Ų | 65 | 130.3 Ų | 130.3 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | | | trans | -111.4 | -169.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 31 | Y | 30 | Very low | 32.8 | Very low | 228 Ų | 228 | 128.8 Ų | 128.8 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | | | cis | -157.1 | 176.5 | -19 | -161.6 | -101.1 | 0 | 0 | 0 | 107.1 | | |
| 32 | S | 33.8 | Very low | 32.6 | Very low | 84 Ų | 84 | 126.6 Ų | 126.6 | 59% | 0.587 | 78% | 0.776 | S | S | * | * | | | trans | -79.1 | 162.5 | -179.1 | -46.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 33 | Q | 29.2 | Very low | 32.5 | Very low | 181 Ų | 181 | 128.9 Ų | 128.9 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | 75.3 | 156.7 | 152.8 | -60.7 | -102.9 | -13.7 | 0 | 0 | 117.8 | | |
| 34 | P | 37.8 | Very low | 32.6 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | cis | -129.3 | -125.4 | -27 | 41.5 | -21.3 | 0 | 0 | 0 | 111.6 | | |
| 35 | P | 52.5 | Low | 32.1 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | -126.5 | 179.9 | -151.2 | 35.6 | -10.8 | 0 | 0 | 0 | 118.1 | | |
| 36 | S | 27.1 | Very low | 32.6 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | 92.6 | 161 | 149.4 | -150.7 | 0 | 0 | 0 | 0 | 120.9 | | |
| 37 | V | 26.1 | Very low | 32.7 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | | | trans | 75.8 | 105.6 | 165.1 | -167.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 38 | C | 25.7 | Very low | 32.5 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | | | trans | 32.3 | 127.5 | 133.6 | -54.7 | 0 | 0 | 0 | 0 | 124.3 | | |
| 39 | S | 26.4 | Very low | 32.4 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | | 77.1 | 135.3 | 123.3 | -60.1 | 0 | 0 | 0 | 0 | 124 | | |
| 40 | S | 26 | Very low | 32.6 | Very low | 103 Ų | 103 | 122.9 Ų | 122.9 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | trans | 90.6 | 123.9 | 137.8 | -69.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 41 | T | 28.6 | Very low | 32.9 | Very low | 127 Ų | 127 | 126.8 Ų | 126.8 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | 83.5 | 120.8 | 136.3 | 48.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 42 | S | 30.6 | Very low | 33.5 | Very low | 116 Ų | 116 | 123 Ų | 123 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | trans | 77.5 | 112.1 | 131.7 | -59.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 43 | F | 29.2 | Very low | 33.3 | Very low | 208 Ų | 208 | 124.2 Ų | 124.2 | 91% | 0.912 | 80% | 0.796 | S | S | * | * | | | trans | -133 | 142.4 | 140.7 | -167.9 | -101.7 | 0 | 0 | 0 | 110 | | |
| 44 | N | 35.7 | Very low | 33.9 | Very low | 154 Ų | 154 | 121.2 Ų | 121.2 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | | | trans | -98.2 | 138.3 | -176.1 | -97.4 | -49.3 | 0 | 0 | 0 | 111.7 | | |
| 45 | G | 31.3 | Very low | 33.6 | Very low | 68 Ų | 68 | 124.8 Ų | 124.8 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | | | trans | -150.8 | 131.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 46 | P | 46.7 | Very low | 32.9 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | | | trans | -97.8 | 164.7 | -166.5 | 35.9 | -35.1 | 0 | 0 | 0 | 115.8 | | |
| 47 | F | 35.3 | Very low | 33.3 | Very low | 194 Ų | 194 | 128 Ų | 128 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | trans | 93.2 | 100.2 | 161.6 | -52.8 | -62.8 | 0 | 0 | 0 | 120.5 | | |
| 48 | A | 32 | Very low | 33.7 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | | 74.9 | 144.8 | 124.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 49 | G | 32.5 | Very low | 34.6 | Very low | 82 Ų | 82 | 127.3 Ų | 127.3 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | trans | 88.3 | 65.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 50 | G | 37.1 | Very low | 35.1 | Very low | 78 Ų | 78 | 131.8 Ų | 131.8 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -82.2 | 149.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 51 | V | 38.5 | Very low | 35.4 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | | | trans | -143.2 | 128.2 | 152.3 | -95.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 52 | V | 40.9 | Very low | 36 | Very low | 147 Ų | 147 | 137 Ų | 137 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | | | trans | -99.8 | 133.4 | 173.1 | 175.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 53 | S | 31.1 | Very low | 36.5 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | -128.6 | 150.1 | 169.2 | -87.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 54 | P | 40.2 | Very low | 36.8 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 156.7 | -154.5 | 34.6 | -37.5 | 0 | 0 | 0 | 115.1 | | |
| 55 | Q | 32.1 | Very low | 37.4 | Very low | 187 Ų | 187 | 132 Ų | 132 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 128.3 | 157.9 | -70.9 | -171.6 | -84.7 | 0 | 0 | 110.5 | | |
| 56 | P | 37.7 | Very low | 37.9 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 146.6 | 156.4 | 33.8 | -31 | 0 | 0 | 0 | 110.5 | | |
| 57 | H | 35.8 | Very low | 37.8 | Very low | 180 Ų | 180 | 133 Ų | 133 | 83% | 0.833 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 129.6 | 173.9 | -64.6 | -170.3 | 0 | 0 | 0 | 110 | S59 | H57-S59 PolarHBondContact O-N 2.59Š|
| 58 | S | 35.5 | Very low | 38.1 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -90.6 | 88.1 | 176.2 | -168.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 59 | S | 42.6 | Very low | 38.3 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | -100.4 | 49.9 | 169.8 | 62 | 0 | 0 | 0 | 0 | 111.3 | H57 | H57-S59 PolarHBondContact O-N 2.59Š|
| 60 | Y | 37.6 | Very low | 39.1 | Very low | 206 Ų | 206 | 134 Ų | 134 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | | | trans | -137.1 | 83.7 | -177.8 | -85.3 | -79 | 0 | 0 | 0 | 112.9 | | |
| 61 | Y | 32.3 | Very low | 39.3 | Very low | 214 Ų | 214 | 138.9 Ų | 138.9 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | trans | -147 | 91.7 | 143.8 | -150.4 | -96.1 | 0 | 0 | 0 | 110.3 | | |
| 62 | S | 42.1 | Very low | 39.3 | Very low | 125 Ų | 125 | 141 Ų | 141 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | | | trans | -129.3 | 130 | 171.8 | -175 | 0 | 0 | 0 | 0 | 108.5 | | |
| 63 | G | 39.7 | Very low | 39.2 | Very low | 57 Ų | 57 | 140.6 Ų | 140.6 | 59% | 0.588 | 77% | 0.769 | S | S | * | * | | | trans | 88.9 | 106.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 64 | M | 36.2 | Very low | 39.9 | Very low | 179 Ų | 179 | 146.1 Ų | 146.1 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | | | | -157.4 | 140.4 | 115.1 | -104.8 | 172.4 | 70.5 | 0 | 0 | 110 | | |
| 65 | T | 47.4 | Very low | 39.9 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -89 | 121.4 | -171.7 | 48.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 66 | G | 43.6 | Very low | 40.5 | Very low | 49 Ų | 49 | 140.5 Ų | 140.5 | 51% | 0.505 | 77% | 0.766 | S | S | . | * | P | Polyproline II helix | trans | -87.4 | 162.8 | 163 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q68 | G66-Q68 PolarHBondContact O-N 2.76Š|
| 67 | P | 43 | Very low | 41.1 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 93% | 0.929 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 120.7 | 175.9 | -20.5 | 33.1 | 0 | 0 | 0 | 111.1 | | |
| 68 | Q | 42.8 | Very low | 41.5 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 137.4 | -175.5 | -69.3 | -176.9 | -19.2 | 0 | 0 | 112.1 | G66 | G66-Q68 PolarHBondContact O-N 2.76Š|
| 69 | H | 36.3 | Very low | 41.6 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 62% | 0.616 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 147.8 | 168 | -91.4 | -106.8 | 0 | 0 | 0 | 111.2 | F71 Y72 | H69-F71 PolarHBondContact O-N 3.44Å; H69-Y72 HydrophobicContact CB-CD2 4.32Å; H69-Y72 PolarHBondContact O-N 3.36Å |
| 70 | P | 47.7 | Very low | 41.8 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -64.3 | -9.4 | -177.1 | 26.4 | -35.7 | 0 | 0 | 0 | 114.9 | | |
| 71 | F | 41.7 | Very low | 42.3 | Very low | 179 Ų | 179 | 127.3 Ų | 127.3 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -81.2 | -13.9 | -177.6 | -65.1 | -72.9 | 0 | 0 | 0 | 115.1 | H69 | H69-F71 PolarHBondContact O-N 3.44Š|
| 72 | Y | 39 | Very low | 43.4 | Very low | 191 Ų | 191 | 122.9 Ų | 122.9 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -93.6 | -2.1 | -174 | -73.5 | -71.4 | 0 | 0 | 0 | 115.2 | H69 R74 | H69-Y72 HydrophobicContact CB-CD2 4.32Å; H69-Y72 PolarHBondContact O-N 3.36Å; Y72-R74 PolarHBondContact O-N 2.85Å |
| 73 | N | 38.1 | Very low | 44.5 | Very low | 139 Ų | 139 | 122.1 Ų | 122.1 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | | | trans | -97.5 | 42.8 | -175.6 | -147.2 | 1.2 | 0 | 0 | 0 | 113.6 | G75 | N73-G75 PolarHBondContact O-N 3.17Š|
| 74 | R | 45.8 | Very low | 46.5 | Very low | 227 Ų | 227 | 122.4 Ų | 122.4 | 86% | 0.857 | 72% | 0.719 | S | S | * | * | | | trans | -76.2 | 99.3 | 157.2 | -165 | -179.9 | -162.1 | -158.4 | 5.3 | 106.1 | Y72 | Y72-R74 PolarHBondContact O-N 2.85Š|
| 75 | G | 40.3 | Very low | 49 | Very low | 56 Ų | 56 | 117 Ų | 117 | 58% | 0.577 | 69% | 0.694 | S | S | * | * | | | trans | -54.5 | 150.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N73 G77 | N73-G75 PolarHBondContact O-N 3.17Å; G75-G77 VanDerWaalsContact C-N 3.33Å; G75-G77 PolarHBondContact O-N 3.36Å |
| 76 | S | 44.4 | Very low | 51.2 | Low | 131 Ų | 131 | 110.6 Ų | 110.6 | 92% | 0.916 | 65% | 0.654 | S | S | * | * | | | trans | -63.5 | 93.5 | 171.6 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 77 | G | 50.2 | Low | 53.6 | Low | 46 Ų | 46 | 110.3 Ų | 110.3 | 47% | 0.474 | 64% | 0.641 | S | S | . | * | | | trans | -59.3 | 176.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G75 | G75-G77 VanDerWaalsContact C-N 3.33Å; G75-G77 PolarHBondContact O-N 3.36Å |
| 78 | P | 44.5 | Very low | 56 | Low | 131 Ų | 131 | 107.2 Ų | 107.2 | 85% | 0.851 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -54.3 | 144.4 | 171.3 | 25.7 | -34.3 | 0 | 0 | 0 | 110.1 | | |
| 79 | A | 38.3 | Very low | 58.6 | Low | 89 Ų | 89 | 100.3 Ų | 100.3 | 74% | 0.736 | 59% | 0.591 | S | S | * | * | | | trans | -47.9 | 140.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G81 | A79-G81 PolarHBondContact O-N 3.17Š|
| 80 | P | 45.9 | Very low | 61.5 | Low | 125 Ų | 125 | 98.6 Ų | 98.6 | 81% | 0.812 | 59% | 0.586 | S | S | * | * | | | trans | -57.4 | 110.4 | -172.5 | 23.1 | -33.7 | 0 | 0 | 0 | 110.1 | | |
| 81 | G | 48.7 | Very low | 63.9 | Low | 51 Ų | 51 | 94.3 Ų | 94.3 | 53% | 0.526 | 56% | 0.558 | S | S | . | * | | | trans | -57.2 | 155.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A79 V83 | A79-G81 PolarHBondContact O-N 3.17Å; G81-V83 PolarHBondContact O-N 3.2Å; G81-V83 VanDerWaalsContact O-N 3.09Å |
| 82 | P | 55.5 | Low | 66.6 | Low | 122 Ų | 122 | 89.8 Ų | 89.8 | 79% | 0.792 | 54% | 0.542 | S | S | * | . | | | trans | -49.7 | 122 | -175.4 | 20.4 | -33.1 | 0 | 0 | 0 | 110.4 | V84 | P82-V84 VanDerWaalsContact O-CG2 3.28Å; P82-V84 WeakPolarHBondContact O-CG2 3.47Å; P82-V84 PolarHBondContact O-N 2.89Å |
| 83 | V | 65.8 | Low | 69.4 | Low | 109 Ų | 109 | 82.1 Ų | 82.1 | 66% | 0.661 | 52% | 0.518 | S | S | * | . | | | trans | -63 | 105.8 | -170.7 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | G81 L85 | G81-V83 PolarHBondContact O-N 3.2Å; G81-V83 VanDerWaalsContact O-N 3.09Å; V83-L85 PolarHBondContact O-N 2.85Å |
| 84 | V | 81.6 | Confident | 72.2 | Confident | 63 Ų | 63 | 75.6 Ų | 75.6 | 38% | 0.382 | 48% | 0.483 | S | S | . | . | | | trans | -77.9 | 99.9 | -173.4 | -168.2 | 0 | 0 | 0 | 0 | 109.1 | P82 L86 L89 M155 | P82-V84 VanDerWaalsContact O-CG2 3.28Å; P82-V84 WeakPolarHBondContact O-CG2 3.47Å; P82-V84 PolarHBondContact O-N 2.89Å; V84-L86 PolarHBondContact O-N 3.27Å; V84-L89 HydrophobicContact CG1-CD2 3.47Å; V84-L89 VanDerWaalsContact CG1-CD2 3.47Å; V84-L89 HydrophobicContact CG1-CG 4.46Å; V84-M155 WeakPolarHBondContact O-CE 3.33Å |
| 85 | L | 89.1 | Confident | 74.7 | Confident | 66 Ų | 66 | 65 Ų | 65 | 35% | 0.346 | 44% | 0.443 | S | S | . | . | | | trans | -51.4 | 131.9 | 176 | -70.5 | 159.5 | 0 | 0 | 0 | 110.8 | V83 N87 S88 E159 V162 | V83-L85 PolarHBondContact O-N 2.85Å; L85-N87 PolarHBondContact O-N 3.34Å; L85-S88 WeakPolarHBondContact O-CB 3.29Å; L85-S88 PolarHBondContact O-N 3.42Å; L85-S88 VanDerWaalsContact O-N 3.07Å; L85-S88 PolarHBondContact O-OG 2.65Å; L85-E159 HydrophobicContact CD2-CB 4.26Å; L85-E159 HydrophobicContact CD2-CG 3.7Å; L85-V162 HydrophobicContact CD2-CB 4.22Å; L85-V162 HydrophobicContact CD2-CG1 4.3Å; L85-V162 HydrophobicContact CD2-CG2 4.05Å |
| 86 | L | 93.1 | Very high | 77.4 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.01 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -60.5 | -46.9 | -177.9 | -174.6 | 57 | 0 | 0 | 0 | 110.7 | V84 S88 L89 G123 L126 A127 M155 R156 E159 | V84-L86 PolarHBondContact O-N 3.27Å; L86-S88 PolarHBondContact O-N 3.05Å; L86-L89 HydrophobicContact CD1-CD1 4.06Å; L86-L89 PolarHBondContact O-N 2.86Å; L86-L89 VanDerWaalsContact O-N 3.14Å; L86-G123 CarbonylContact O-C 3.53Å; L86-G123 WeakPolarHBondContact O-CA 3.44Å; L86-L126 HydrophobicContact CD1-CB 4.01Å; L86-L126 HydrophobicContact CD2-CB 4.45Å; L86-L126 HydrophobicContact CG-CB 4.41Å; L86-A127 HydrophobicContact CD2-CB 4.04Å; L86-A127 HydrophobicContact CG-CB 4.24Å; L86-M155 HydrophobicContact CB-CB 4.17Å; L86-M155 HydrophobicContact CB-CE 4.29Å; L86-M155 HydrophobicContact CD1-CB 4.1Å; L86-M155 HydrophobicContact CD1-CE 4.04Å; L86-M155 HydrophobicContact CD1-SD 4.18Å; L86-M155 HydrophobicContact CD2-CB 4.03Å; L86-M155 HydrophobicContact CG-CB 4.32Å; L86-R156 HydrophobicContact CD2-CB 4.47Å; L86-R156 HydrophobicContact CD2-CG 3.64Å; L86-E159 WeakPolarHBondContact CA-OE2 3.46Å; L86-E159 WeakPolarHBondContact CB-OE2 3.44Å; L86-E159 PolarHBondContact N-OE2 2.66Å |
| 87 | N | 93.9 | Very high | 79.8 | Confident | 44 Ų | 44 | 63.3 Ų | 63.3 | 24% | 0.235 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -61.1 | -13.5 | 177.5 | -77.9 | -58.8 | 0 | 0 | 0 | 114.7 | L85 R124 A127 E159 | L85-N87 PolarHBondContact O-N 3.34Å; N87-R124 HydrophobicContact CB-CG 4.27Å; N87-R124 WeakPolarHBondContact O-CG 3.01Å; N87-A127 WeakPolarHBondContact OD1-CB 3.43Å; N87-E159 WeakPolarHBondContact CB-OE1 3.38Å; N87-E159 PolarHBondContact N-OE2 3.08Å; N87-E159 VanDerWaalsContact ND2-CD 3.28Å; N87-E159 PolarHBondContact ND2-OE1 2.93Å; N87-E159 PolarHBondContact ND2-OE2 2.91Å |
| 88 | S | 94.1 | Very high | 82 | Confident | 78 Ų | 78 | 61.1 Ų | 61.1 | 55% | 0.545 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -88.6 | -17.1 | 178.9 | 76.9 | 0 | 0 | 0 | 0 | 114 | L85 L86 N90 | L85-S88 WeakPolarHBondContact O-CB 3.29Å; L85-S88 PolarHBondContact O-N 3.42Å; L85-S88 VanDerWaalsContact O-N 3.07Å; L85-S88 PolarHBondContact O-OG 2.65Å; L86-S88 PolarHBondContact O-N 3.05Å; S88-N90 PolarHBondContact O-N 3.27Å |
| 89 | L | 96.4 | Very high | 84.5 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | | | trans | -68.9 | 126.8 | -177.6 | -59.7 | -179.5 | 0 | 0 | 0 | 111.6 | V84 L86 A93 V94 K97 G123 M155 | V84-L89 HydrophobicContact CG1-CD2 3.47Å; V84-L89 VanDerWaalsContact CG1-CD2 3.47Å; V84-L89 HydrophobicContact CG1-CG 4.46Å; L86-L89 HydrophobicContact CD1-CD1 4.06Å; L86-L89 PolarHBondContact O-N 2.86Å; L86-L89 VanDerWaalsContact O-N 3.14Å; L89-A93 HydrophobicContact CB-CB 4.27Å; L89-A93 HydrophobicContact CD2-CB 3.78Å; L89-V94 HydrophobicContact CB-CG2 3.77Å; L89-V94 HydrophobicContact CD1-CG2 3.94Å; L89-K97 HydrophobicContact CD1-CG 4.06Å; L89-K97 HydrophobicContact CD2-CG 4.36Å; L89-G123 WeakPolarHBondContact O-CA 3.24Å; L89-G123 PolarHBondContact O-N 3.05Å; L89-M155 HydrophobicContact CD1-CE 4.05Å |
| 90 | N | 97.5 | Very high | 87.3 | Confident | 96 Ų | 96 | 61.5 Ų | 61.5 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | | | trans | -79.2 | 173.4 | 160.1 | 68.4 | 16.6 | 0 | 0 | 0 | 110.4 | S88 D92 A93 V94 | S88-N90 PolarHBondContact O-N 3.27Å; N90-D92 VanDerWaalsContact C-N 3.33Å; N90-D92 PolarHBondContact O-N 2.87Å; N90-D92 PolarHBondContact OD1-N 3.42Å; N90-A93 PolarHBondContact O-N 2.9Å; N90-A93 VanDerWaalsContact O-N 3.17Å; N90-A93 VanDerWaalsContact OD1-CB 3.24Å; N90-A93 WeakPolarHBondContact OD1-CB 3.38Å; N90-A93 PolarHBondContact OD1-N 3.27Å; N90-V94 WeakPolarHBondContact O-CG2 3.4Å; N90-V94 PolarHBondContact O-N 3.4Å |
| 91 | V | 98.1 | Very high | 89.7 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 14% | 0.139 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.6 | -43.1 | -176.1 | -178.8 | 0 | 0 | 0 | 0 | 112.2 | V94 C95 I116 K117 N120 N122 | V91-V94 WeakPolarHBondContact O-CB 3.39Å; V91-V94 PolarHBondContact O-N 2.95Å; V91-C95 PolarHBondContact O-N 3.29Å; V91-C95 PolarHBondContact O-SG 3.37Å; V91-I116 HydrophobicContact CG1-CG2 3.82Å; V91-K117 HydrophobicContact CG1-CB 4.36Å; V91-K117 HydrophobicContact CG1-CG 3.79Å; V91-N120 VanDerWaalsContact CG2-OD1 3.29Å; V91-N120 WeakPolarHBondContact CG2-OD1 3.45Å; V91-N122 HydrophobicContact CG2-CB 3.96Å |
| 92 | D | 97.9 | Very high | 92 | Very high | 84 Ų | 84 | 62.7 Ų | 62.7 | 45% | 0.449 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 176.4 | -68.4 | -79.5 | 0 | 0 | 0 | 112.6 | N90 V94 C95 E96 K117 | N90-D92 VanDerWaalsContact C-N 3.33Å; N90-D92 PolarHBondContact O-N 2.87Å; N90-D92 PolarHBondContact OD1-N 3.42Å; D92-V94 VanDerWaalsContact C-N 3.28Å; D92-V94 PolarHBondContact O-N 3.02Å; D92-C95 CarbonylContact O-C 3.56Å; D92-C95 WeakPolarHBondContact O-CA 3.46Å; D92-C95 WeakPolarHBondContact O-CB 3.41Å; D92-C95 PolarHBondContact O-N 3.05Å; D92-E96 PolarHBondContact O-N 3.18Å; D92-K117 IonicContact OD1-NZ 2.59Å; D92-K117 PolarHBondContact OD1-NZ 3.15Å |
| 93 | A | 97.1 | Very high | 93.9 | Very high | 30 Ų | 30 | 60 Ų | 60 | 25% | 0.248 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.8 | -27.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L89 N90 K97 | L89-A93 HydrophobicContact CB-CB 4.27Å; L89-A93 HydrophobicContact CD2-CB 3.78Å; N90-A93 PolarHBondContact O-N 2.9Å; N90-A93 VanDerWaalsContact O-N 3.17Å; N90-A93 VanDerWaalsContact OD1-CB 3.24Å; N90-A93 WeakPolarHBondContact OD1-CB 3.38Å; N90-A93 PolarHBondContact OD1-N 3.27Å; A93-K97 WeakPolarHBondContact O-CB 3.33Å; A93-K97 WeakPolarHBondContact O-CG 3.44Å; A93-K97 PolarHBondContact O-N 3.19Å |
| 94 | V | 97.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.9 | -41.3 | 166.9 | 174.6 | 0 | 0 | 0 | 0 | 111 | L89 N90 V91 D92 K97 L98 I116 L126 | L89-V94 HydrophobicContact CB-CG2 3.77Å; L89-V94 HydrophobicContact CD1-CG2 3.94Å; N90-V94 WeakPolarHBondContact O-CG2 3.4Å; N90-V94 PolarHBondContact O-N 3.4Å; V91-V94 WeakPolarHBondContact O-CB 3.39Å; V91-V94 PolarHBondContact O-N 2.95Å; D92-V94 VanDerWaalsContact C-N 3.28Å; D92-V94 PolarHBondContact O-N 3.02Å; V94-K97 PolarHBondContact O-N 3.43Å; V94-L98 PolarHBondContact O-N 3.23Å; V94-I116 HydrophobicContact CB-CG2 4.28Å; V94-I116 HydrophobicContact CG1-CD1 4.13Å; V94-I116 HydrophobicContact CG1-CG1 4.44Å; V94-I116 HydrophobicContact CG1-CG2 3.96Å; V94-L126 HydrophobicContact CB-CD1 4.41Å; V94-L126 HydrophobicContact CG1-CD1 3.54Å; V94-L126 HydrophobicContact CG2-CD1 3.89Å |
| 95 | C | 97.8 | Very high | 96 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.02 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 172.3 | -62.5 | 0 | 0 | 0 | 0 | 112.6 | V91 D92 K97 L98 K99 C113 I116 | V91-C95 PolarHBondContact O-N 3.29Å; V91-C95 PolarHBondContact O-SG 3.37Å; D92-C95 CarbonylContact O-C 3.56Å; D92-C95 WeakPolarHBondContact O-CA 3.46Å; D92-C95 WeakPolarHBondContact O-CB 3.41Å; D92-C95 PolarHBondContact O-N 3.05Å; C95-K97 VanDerWaalsContact C-N 3.33Å; C95-L98 WeakPolarHBondContact O-CB 3.4Å; C95-L98 PolarHBondContact O-N 3.48Å; C95-K99 WeakPolarHBondContact O-CG 3.44Å; C95-K99 PolarHBondContact O-N 2.82Å; C95-K99 VanDerWaalsContact O-N 3.1Å; C95-C113 HydrophobicContact CB-CB 4.43Å; C95-I116 VanDerWaalsContact SG-CG2 3.56Å |
| 96 | E | 97.1 | Very high | 96.4 | Very high | 87 Ų | 87 | 59 Ų | 59 | 41% | 0.407 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.1 | -31.7 | 174.6 | -63 | -45.2 | 119.3 | 0 | 0 | 112.5 | D92 K99 Q100 | D92-E96 PolarHBondContact O-N 3.18Å; E96-K99 IonicContact OE1-NZ 2.93Å; E96-K99 PolarHBondContact OE1-NZ 2.92Å; E96-K99 WeakPolarHBondContact OE2-CD 3.1Å; E96-K99 IonicContact OE2-NZ 2.66Å; E96-K99 PolarHBondContact OE2-NZ 3.05Å; E96-Q100 WeakPolarHBondContact O-CG 3.3Å; E96-Q100 PolarHBondContact O-N 3.03Å; E96-Q100 PolarHBondContact O-NE2 3.46Å |
| 97 | K | 95.6 | Very high | 96.6 | Very high | 65 Ų | 65 | 63.1 Ų | 63.1 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71.2 | -35.8 | 170.7 | -77.8 | -54.4 | -170.7 | -177.9 | 0 | 113 | L89 A93 V94 C95 K99 Q100 | L89-K97 HydrophobicContact CD1-CG 4.06Å; L89-K97 HydrophobicContact CD2-CG 4.36Å; A93-K97 WeakPolarHBondContact O-CB 3.33Å; A93-K97 WeakPolarHBondContact O-CG 3.44Å; A93-K97 PolarHBondContact O-N 3.19Å; V94-K97 PolarHBondContact O-N 3.43Å; C95-K97 VanDerWaalsContact C-N 3.33Å; K97-K99 VanDerWaalsContact C-N 3.33Å; K97-K99 PolarHBondContact O-N 3.22Å; K97-Q100 PolarHBondContact O-N 3.39Å; K97-Q100 VanDerWaalsContact O-N 3.11Å |
| 98 | L | 97.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 171.4 | -173.7 | 73.6 | 0 | 0 | 0 | 111 | V94 C95 Q100 I101 L104 L109 Y112 I116 M140 F148 | V94-L98 PolarHBondContact O-N 3.23Å; C95-L98 WeakPolarHBondContact O-CB 3.4Å; C95-L98 PolarHBondContact O-N 3.48Å; L98-Q100 PolarHBondContact O-N 3.3Å; L98-Q100 VanDerWaalsContact O-N 3.11Å; L98-I101 HydrophobicContact CD1-CD1 4.25Å; L98-I101 PolarHBondContact O-N 2.63Å; L98-I101 VanDerWaalsContact O-N 3.12Å; L98-L104 HydrophobicContact CD1-CD1 3.57Å; L98-L104 HydrophobicContact CG-CD1 3.74Å; L98-L104 WeakPolarHBondContact O-CD1 3.44Å; L98-L109 HydrophobicContact CD2-CD1 4.19Å; L98-L109 HydrophobicContact CD2-CG 4.23Å; L98-L109 HydrophobicContact CG-CD1 4.07Å; L98-Y112 HydrophobicContact CD2-CD2 4.47Å; L98-I116 HydrophobicContact CB-CD1 4.39Å; L98-I116 HydrophobicContact CD2-CD1 3.85Å; L98-M140 HydrophobicContact CD1-CE 3.54Å; L98-M140 HydrophobicContact CD2-CE 4.42Å; L98-F148 HydrophobicContact CD1-CD2 3.55Å; L98-F148 HydrophobicContact CD1-CE2 4.04Å; L98-F148 HydrophobicContact CD1-CG 4.24Å |
| 99 | K | 96.9 | Very high | 96.9 | Very high | 104 Ų | 104 | 60.1 Ų | 60.1 | 45% | 0.452 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17.6 | 175.6 | -69.4 | 170.4 | -173.1 | 173.8 | 0 | 115 | C95 E96 K97 L109 | C95-K99 WeakPolarHBondContact O-CG 3.44Å; C95-K99 PolarHBondContact O-N 2.82Å; C95-K99 VanDerWaalsContact O-N 3.1Å; E96-K99 IonicContact OE1-NZ 2.93Å; E96-K99 PolarHBondContact OE1-NZ 2.92Å; E96-K99 WeakPolarHBondContact OE2-CD 3.1Å; E96-K99 IonicContact OE2-NZ 2.66Å; E96-K99 PolarHBondContact OE2-NZ 3.05Å; K97-K99 VanDerWaalsContact C-N 3.33Å; K97-K99 PolarHBondContact O-N 3.22Å; K99-L109 HydrophobicContact CG-CD1 4.09Å; K99-L109 HydrophobicContact CG-CD2 3.68Å; K99-L109 HydrophobicContact CG-CG 4.47Å |
| 100 | Q | 96.1 | Very high | 96.9 | Very high | 123 Ų | 123 | 63.2 Ų | 63.2 | 58% | 0.575 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -0.6 | -179.9 | -70.7 | 168 | 25.3 | 0 | 0 | 112.9 | E96 K97 L98 E102 | E96-Q100 WeakPolarHBondContact O-CG 3.3Å; E96-Q100 PolarHBondContact O-N 3.03Å; E96-Q100 PolarHBondContact O-NE2 3.46Å; K97-Q100 PolarHBondContact O-N 3.39Å; K97-Q100 VanDerWaalsContact O-N 3.11Å; L98-Q100 PolarHBondContact O-N 3.3Å; L98-Q100 VanDerWaalsContact O-N 3.11Å; Q100-E102 PolarHBondContact O-N 3.31Å |
| 101 | I | 96.9 | Very high | 97 | Very high | 19 Ų | 19 | 63.4 Ų | 63.4 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | | | trans | -84.1 | 112.2 | 178.1 | -56.3 | -175.1 | 0 | 0 | 0 | 109.6 | L98 L104 L147 F148 T151 | L98-I101 HydrophobicContact CD1-CD1 4.25Å; L98-I101 PolarHBondContact O-N 2.63Å; L98-I101 VanDerWaalsContact O-N 3.12Å; I101-L104 HydrophobicContact CB-CD1 3.8Å; I101-L104 HydrophobicContact CB-CG 3.94Å; I101-L104 HydrophobicContact CG2-CD1 4.3Å; I101-L104 HydrophobicContact CG2-CD2 4.49Å; I101-L104 HydrophobicContact CG2-CG 3.93Å; I101-L147 HydrophobicContact CG2-CB 3.74Å; I101-F148 HydrophobicContact CD1-CB 4.36Å; I101-F148 HydrophobicContact CD1-CD2 3.93Å; I101-T151 HydrophobicContact CD1-CG2 4.11Å; I101-T151 WeakPolarHBondContact CD1-OG1 3.33Å; I101-T151 HydrophobicContact CG1-CG2 4.31Å |
| 102 | E | 96.4 | Very high | 97 | Very high | 182 Ų | 182 | 62.4 Ų | 62.4 | 85% | 0.85 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 136.2 | 175.7 | -172.2 | 173.9 | -172.8 | 0 | 0 | 111.2 | Q100 | Q100-E102 PolarHBondContact O-N 3.31Š|
| 103 | G | 95.1 | Very high | 97 | Very high | 66 Ų | 66 | 59.1 Ų | 59.1 | 68% | 0.68 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | 0.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | L147 | G103-L147 VanDerWaalsContact C-CD1 3.42Å; G103-L147 WeakPolarHBondContact O-CD1 3.35Å |
| 104 | L | 96.9 | Very high | 97 | Very high | 23 Ų | 23 | 62 Ų | 62 | 12% | 0.12 | 33% | 0.334 | C | S | . | . | | | trans | -66.3 | 147.9 | 171.3 | -77.7 | -176.6 | 0 | 0 | 0 | 112.7 | L98 I101 Q106 L109 D144 L147 | L98-L104 HydrophobicContact CD1-CD1 3.57Å; L98-L104 HydrophobicContact CG-CD1 3.74Å; L98-L104 WeakPolarHBondContact O-CD1 3.44Å; I101-L104 HydrophobicContact CB-CD1 3.8Å; I101-L104 HydrophobicContact CB-CG 3.94Å; I101-L104 HydrophobicContact CG2-CD1 4.3Å; I101-L104 HydrophobicContact CG2-CD2 4.49Å; I101-L104 HydrophobicContact CG2-CG 3.93Å; L104-Q106 PolarHBondContact O-N 3.07Å; L104-L109 HydrophobicContact CD1-CD1 4.03Å; L104-D144 WeakPolarHBondContact CA-OD1 3.41Å; L104-D144 HydrophobicContact CD2-CB 3.66Å; L104-D144 WeakPolarHBondContact CD2-OD1 3.45Å; L104-L147 HydrophobicContact CD2-CB 4.3Å; L104-L147 HydrophobicContact CD2-CD1 4.23Å |
| 105 | D | 95.9 | Very high | 97 | Very high | 59 Ų | 59 | 63.3 Ų | 63.3 | 32% | 0.316 | 34% | 0.341 | S | S | . | . | | | trans | -65.6 | 105.1 | 167.1 | -174.2 | -13.8 | 0 | 0 | 0 | 111.2 | S107 M108 L109 D144 | D105-S107 VanDerWaalsContact CG-OG 3.3Å; D105-S107 PolarHBondContact O-N 3.02Å; D105-S107 WeakPolarHBondContact OD1-CA 3.33Å; D105-S107 VanDerWaalsContact OD1-CB 3.29Å; D105-S107 WeakPolarHBondContact OD1-CB 3.3Å; D105-S107 PolarHBondContact OD1-N 2.88Å; D105-S107 PolarHBondContact OD1-OG 2.97Å; D105-S107 PolarHBondContact OD2-OG 2.83Å; D105-M108 HydrophobicContact CB-CB 4.18Å; D105-M108 HydrophobicContact CB-CG 4.26Å; D105-M108 PolarHBondContact O-N 3.25Å; D105-M108 PolarHBondContact OD1-N 2.86Å; D105-M108 VanDerWaalsContact OD2-CG 3.3Å; D105-M108 WeakPolarHBondContact OD2-CG 3.29Å; D105-L109 PolarHBondContact O-N 3.27Å; D105-D144 PolarHBondContact N-OD1 2.78Å |
| 106 | Q | 96.3 | Very high | 97.1 | Very high | 134 Ų | 134 | 63.1 Ų | 63.1 | 63% | 0.626 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -21.2 | -179.6 | -170.2 | 55.8 | 88.1 | 0 | 0 | 113.6 | L104 | L104-Q106 PolarHBondContact O-N 3.07Š|
| 107 | S | 97.4 | Very high | 97.1 | Very high | 90 Ų | 90 | 64 Ų | 64 | 63% | 0.629 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -32.6 | 176.5 | 77.1 | 0 | 0 | 0 | 0 | 112.7 | D105 P110 | D105-S107 VanDerWaalsContact CG-OG 3.3Å; D105-S107 PolarHBondContact O-N 3.02Å; D105-S107 WeakPolarHBondContact OD1-CA 3.33Å; D105-S107 VanDerWaalsContact OD1-CB 3.29Å; D105-S107 WeakPolarHBondContact OD1-CB 3.3Å; D105-S107 PolarHBondContact OD1-N 2.88Å; D105-S107 PolarHBondContact OD1-OG 2.97Å; D105-S107 PolarHBondContact OD2-OG 2.83Å; S107-P110 WeakPolarHBondContact O-CD 3.46Å |
| 108 | M | 96.8 | Very high | 97.2 | Very high | 48 Ų | 48 | 69.8 Ų | 69.8 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -21.3 | 178 | -66.1 | -66.9 | -68.3 | 0 | 0 | 112.9 | D105 P110 Q111 Y112 | D105-M108 HydrophobicContact CB-CB 4.18Å; D105-M108 HydrophobicContact CB-CG 4.26Å; D105-M108 PolarHBondContact O-N 3.25Å; D105-M108 PolarHBondContact OD1-N 2.86Å; D105-M108 VanDerWaalsContact OD2-CG 3.3Å; D105-M108 WeakPolarHBondContact OD2-CG 3.29Å; M108-P110 VanDerWaalsContact C-N 3.34Å; M108-Q111 WeakPolarHBondContact O-CA 3.5Å; M108-Q111 WeakPolarHBondContact O-CB 3.48Å; M108-Q111 PolarHBondContact O-N 2.9Å; M108-Y112 HydrophobicContact CB-CD2 4.28Å; M108-Y112 HydrophobicContact CB-CE1 4.1Å; M108-Y112 HydrophobicContact CB-CE2 3.61Å; M108-Y112 HydrophobicContact CE-CE1 4.17Å; M108-Y112 PolarHBondContact O-N 3.38Å |
| 109 | L | 97 | Very high | 97.2 | Very high | 11 Ų | 11 | 71.3 Ų | 71.3 | 6% | 0.058 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -51.2 | -37.2 | 179.4 | -173.7 | 131.4 | 0 | 0 | 0 | 115.6 | L98 K99 L104 D105 Q111 Y112 C113 | L98-L109 HydrophobicContact CD2-CD1 4.19Å; L98-L109 HydrophobicContact CD2-CG 4.23Å; L98-L109 HydrophobicContact CG-CD1 4.07Å; K99-L109 HydrophobicContact CG-CD1 4.09Å; K99-L109 HydrophobicContact CG-CD2 3.68Å; K99-L109 HydrophobicContact CG-CG 4.47Å; L104-L109 HydrophobicContact CD1-CD1 4.03Å; D105-L109 PolarHBondContact O-N 3.27Å; L109-Q111 VanDerWaalsContact C-N 3.33Å; L109-Q111 PolarHBondContact O-N 3.43Å; L109-Y112 PolarHBondContact O-N 2.92Å; L109-C113 WeakPolarHBondContact O-CB 3.43Å; L109-C113 PolarHBondContact O-N 3.4Å; L109-C113 PolarHBondContact O-SG 3.01Å |
| 110 | P | 97.8 | Very high | 97.3 | Very high | 77 Ų | 77 | 71 Ų | 71 | 50% | 0.5 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.5 | -37.1 | 173 | -22.6 | 34.9 | 0 | 0 | 0 | 113.1 | S107 M108 T114 | S107-P110 WeakPolarHBondContact O-CD 3.46Å; M108-P110 VanDerWaalsContact C-N 3.34Å; P110-T114 WeakPolarHBondContact O-CB 3.2Å; P110-T114 PolarHBondContact O-N 3.1Å; P110-T114 PolarHBondContact O-OG1 3.11Å |
| 111 | Q | 98 | Very high | 97.4 | Very high | 101 Ų | 101 | 65.4 Ų | 65.4 | 47% | 0.472 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.3 | -45.9 | 175 | -175 | 175.8 | -6.6 | 0 | 0 | 110.4 | M108 L109 C113 T114 T115 | M108-Q111 WeakPolarHBondContact O-CA 3.5Å; M108-Q111 WeakPolarHBondContact O-CB 3.48Å; M108-Q111 PolarHBondContact O-N 2.9Å; L109-Q111 VanDerWaalsContact C-N 3.33Å; L109-Q111 PolarHBondContact O-N 3.43Å; Q111-C113 PolarHBondContact O-N 3.48Å; Q111-T114 CarbonylContact O-C 3.58Å; Q111-T114 WeakPolarHBondContact O-CA 3.43Å; Q111-T114 WeakPolarHBondContact O-CB 3.48Å; Q111-T114 PolarHBondContact O-N 3.47Å; Q111-T115 PolarHBondContact O-N 3.3Å; Q111-T115 PolarHBondContact O-OG1 3.27Å |
| 112 | Y | 98.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.008 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61 | -41.5 | 176.4 | -57.5 | -26.9 | 0 | 0 | 0 | 112.8 | L98 M108 L109 T114 T115 I116 M140 N141 D144 | L98-Y112 HydrophobicContact CD2-CD2 4.47Å; M108-Y112 HydrophobicContact CB-CD2 4.28Å; M108-Y112 HydrophobicContact CB-CE1 4.1Å; M108-Y112 HydrophobicContact CB-CE2 3.61Å; M108-Y112 HydrophobicContact CE-CE1 4.17Å; M108-Y112 PolarHBondContact O-N 3.38Å; L109-Y112 PolarHBondContact O-N 2.92Å; Y112-T114 VanDerWaalsContact C-N 3.28Å; Y112-T114 PolarHBondContact O-N 3.12Å; Y112-T115 PolarHBondContact O-N 3.11Å; Y112-I116 WeakPolarHBondContact O-CG1 3.44Å; Y112-I116 PolarHBondContact O-N 3.17Å; Y112-M140 HydrophobicContact CD1-CE 4.47Å; Y112-M140 HydrophobicContact CD1-CG 3.73Å; Y112-M140 HydrophobicContact CD2-CE 3.77Å; Y112-M140 HydrophobicContact CD2-CG 4.25Å; Y112-M140 HydrophobicContact CE1-CB 4.07Å; Y112-M140 HydrophobicContact CE1-CG 3.56Å; Y112-M140 HydrophobicContact CE2-CE 4.25Å; Y112-M140 HydrophobicContact CE2-CG 4.09Å; Y112-M140 HydrophobicContact CG-CE 3.89Å; Y112-M140 HydrophobicContact CG-CG 4.08Å; Y112-N141 PolarHBondContact OH-N 3.45Å; Y112-N141 PolarHBondContact OH-ND2 2.79Å; Y112-N141 VanDerWaalsContact OH-ND2 3.15Å; Y112-D144 HydrophobicContact CE2-CB 3.87Å; Y112-D144 WeakPolarHBondContact CE2-OD2 3.34Å; Y112-D144 PolarHBondContact OH-OD2 2.99Å |
| 113 | C | 98.1 | Very high | 97.4 | Very high | 15 Ų | 15 | 57.4 Ų | 57.4 | 10% | 0.101 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.4 | -36.8 | 171.8 | -68.2 | 0 | 0 | 0 | 0 | 112.1 | C95 L109 Q111 K117 | C95-C113 HydrophobicContact CB-CB 4.43Å; L109-C113 WeakPolarHBondContact O-CB 3.43Å; L109-C113 PolarHBondContact O-N 3.4Å; L109-C113 PolarHBondContact O-SG 3.01Å; Q111-C113 PolarHBondContact O-N 3.48Å; C113-K117 WeakPolarHBondContact O-CG 3.36Å; C113-K117 PolarHBondContact O-N 2.94Å; C113-K117 VanDerWaalsContact O-N 3.08Å |
| 114 | T | 98.2 | Very high | 97.5 | Very high | 91 Ų | 91 | 61.8 Ų | 61.8 | 56% | 0.558 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.1 | -41.1 | 176.4 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | P110 Q111 Y112 K117 K118 | P110-T114 WeakPolarHBondContact O-CB 3.2Å; P110-T114 PolarHBondContact O-N 3.1Å; P110-T114 PolarHBondContact O-OG1 3.11Å; Q111-T114 CarbonylContact O-C 3.58Å; Q111-T114 WeakPolarHBondContact O-CA 3.43Å; Q111-T114 WeakPolarHBondContact O-CB 3.48Å; Q111-T114 PolarHBondContact O-N 3.47Å; Y112-T114 VanDerWaalsContact C-N 3.28Å; Y112-T114 PolarHBondContact O-N 3.12Å; T114-K117 PolarHBondContact O-N 2.59Å; T114-K118 VanDerWaalsContact O-CB 3.3Å; T114-K118 WeakPolarHBondContact O-CB 3.35Å; T114-K118 PolarHBondContact O-N 3.05Å |
| 115 | T | 98.2 | Very high | 97.5 | Very high | 28 Ų | 28 | 63.4 Ų | 63.4 | 17% | 0.172 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.3 | -50 | 172.9 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | Q111 Y112 K117 K118 A119 E137 | Q111-T115 PolarHBondContact O-N 3.3Å; Q111-T115 PolarHBondContact O-OG1 3.27Å; Y112-T115 PolarHBondContact O-N 3.11Å; T115-K117 VanDerWaalsContact C-N 3.26Å; T115-K117 PolarHBondContact O-N 2.86Å; T115-K118 PolarHBondContact O-N 3.01Å; T115-A119 WeakPolarHBondContact O-CB 3.41Å; T115-A119 PolarHBondContact O-N 3.07Å; T115-E137 WeakPolarHBondContact CG2-O 3.21Å |
| 116 | I | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -53.1 | -44.4 | 175.9 | -74.8 | 160.3 | 0 | 0 | 0 | 111.4 | V91 V94 C95 L98 Y112 N120 I121 M138 | V91-I116 HydrophobicContact CG1-CG2 3.82Å; V94-I116 HydrophobicContact CB-CG2 4.28Å; V94-I116 HydrophobicContact CG1-CD1 4.13Å; V94-I116 HydrophobicContact CG1-CG1 4.44Å; V94-I116 HydrophobicContact CG1-CG2 3.96Å; C95-I116 VanDerWaalsContact SG-CG2 3.56Å; L98-I116 HydrophobicContact CB-CD1 4.39Å; L98-I116 HydrophobicContact CD2-CD1 3.85Å; Y112-I116 WeakPolarHBondContact O-CG1 3.44Å; Y112-I116 PolarHBondContact O-N 3.17Å; I116-N120 PolarHBondContact O-N 3.16Å; I116-I121 HydrophobicContact CB-CB 4.5Å; I116-I121 HydrophobicContact CG1-CB 4.48Å; I116-I121 HydrophobicContact CG2-CB 4.26Å; I116-I121 PolarHBondContact O-N 3.05Å; I116-M138 HydrophobicContact CD1-CE 3.97Å; I116-M138 HydrophobicContact CG1-CE 3.86Å; I116-M138 HydrophobicContact CG1-SD 3.87Å |
| 117 | K | 98.2 | Very high | 97.5 | Very high | 104 Ų | 104 | 55.5 Ų | 55.5 | 45% | 0.452 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.9 | -44.4 | 178.5 | -74.6 | 165.7 | 177.7 | -93.9 | 0 | 113 | V91 D92 C113 T114 T115 N120 | V91-K117 HydrophobicContact CG1-CB 4.36Å; V91-K117 HydrophobicContact CG1-CG 3.79Å; D92-K117 IonicContact OD1-NZ 2.59Å; D92-K117 PolarHBondContact OD1-NZ 3.15Å; C113-K117 WeakPolarHBondContact O-CG 3.36Å; C113-K117 PolarHBondContact O-N 2.94Å; C113-K117 VanDerWaalsContact O-N 3.08Å; T114-K117 PolarHBondContact O-N 2.59Å; T115-K117 VanDerWaalsContact C-N 3.26Å; T115-K117 PolarHBondContact O-N 2.86Å; K117-N120 PolarHBondContact O-N 3.33Å |
| 118 | K | 98.1 | Very high | 97.4 | Very high | 187 Ų | 187 | 58.3 Ų | 58.3 | 81% | 0.813 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.1 | -42 | 179.4 | -175.4 | -171.5 | 174.7 | -165.4 | 0 | 112.3 | T114 T115 N120 | T114-K118 VanDerWaalsContact O-CB 3.3Å; T114-K118 WeakPolarHBondContact O-CB 3.35Å; T114-K118 PolarHBondContact O-N 3.05Å; T115-K118 PolarHBondContact O-N 3.01Å; K118-N120 VanDerWaalsContact C-N 3.33Å |
| 119 | A | 97.6 | Very high | 97.4 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 4.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T115 I121 E137 | T115-A119 WeakPolarHBondContact O-CB 3.41Å; T115-A119 PolarHBondContact O-N 3.07Å; A119-I121 HydrophobicContact CB-CD1 3.85Å; A119-I121 HydrophobicContact CB-CG1 3.77Å; A119-I121 PolarHBondContact O-N 2.66Å; A119-E137 HydrophobicContact CB-CG 3.74Å; A119-E137 WeakPolarHBondContact CB-OE1 3.43Å |
| 120 | N | 97.7 | Very high | 97.5 | Very high | 99 Ų | 99 | 60.5 Ų | 60.5 | 53% | 0.529 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 39.7 | -179.1 | -169.6 | 16.9 | 0 | 0 | 0 | 113.5 | V91 I116 K117 K118 N122 | V91-N120 VanDerWaalsContact CG2-OD1 3.29Å; V91-N120 WeakPolarHBondContact CG2-OD1 3.45Å; I116-N120 PolarHBondContact O-N 3.16Å; K117-N120 PolarHBondContact O-N 3.33Å; K118-N120 VanDerWaalsContact C-N 3.33Å; N120-N122 VanDerWaalsContact C-N 3.33Å; N120-N122 PolarHBondContact O-N 3.38Å; N120-N122 PolarHBondContact O-ND2 2.89Å |
| 121 | I | 97.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | | | trans | -75.7 | 87 | -176.9 | -60.8 | 175 | 0 | 0 | 0 | 108.9 | I116 A119 L126 L134 E137 M138 | I116-I121 HydrophobicContact CB-CB 4.5Å; I116-I121 HydrophobicContact CG1-CB 4.48Å; I116-I121 HydrophobicContact CG2-CB 4.26Å; I116-I121 PolarHBondContact O-N 3.05Å; A119-I121 HydrophobicContact CB-CD1 3.85Å; A119-I121 HydrophobicContact CB-CG1 3.77Å; A119-I121 PolarHBondContact O-N 2.66Å; I121-L126 HydrophobicContact CG2-CD1 4.12Å; I121-L126 HydrophobicContact CG2-CD2 3.52Å; I121-L126 HydrophobicContact CG2-CG 3.61Å; I121-L134 HydrophobicContact CD1-CD1 4.15Å; I121-L134 HydrophobicContact CG2-CD1 4.38Å; I121-E137 HydrophobicContact CD1-CG 4.2Å; I121-M138 HydrophobicContact CD1-CG 4.43Å; I121-M138 HydrophobicContact CD1-SD 3.58Å; I121-M138 VanDerWaalsContact CD1-SD 3.58Å |
| 122 | N | 97.4 | Very high | 97.3 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 18% | 0.176 | 29% | 0.293 | C | S | . | . | | | trans | -94.7 | 173.9 | 173.5 | 64.2 | 76.4 | 0 | 0 | 0 | 111.3 | V91 N120 R124 V125 L126 | V91-N122 HydrophobicContact CG2-CB 3.96Å; N120-N122 VanDerWaalsContact C-N 3.33Å; N120-N122 PolarHBondContact O-N 3.38Å; N120-N122 PolarHBondContact O-ND2 2.89Å; N122-R124 VanDerWaalsContact C-N 3.33Å; N122-R124 PolarHBondContact O-N 3.45Å; N122-R124 WeakPolarHBondContact OD1-CB 3.47Å; N122-R124 PolarHBondContact OD1-N 3.32Å; N122-R124 VanDerWaalsContact OD1-N 3.07Å; N122-V125 WeakPolarHBondContact ND2-CG2 3.26Å; N122-V125 WeakPolarHBondContact O-CB 3.28Å; N122-V125 PolarHBondContact O-N 3.3Å; N122-V125 VanDerWaalsContact O-N 3.16Å; N122-V125 PolarHBondContact OD1-N 2.96Å; N122-L126 PolarHBondContact O-N 3.29Å |
| 123 | G | 96.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.8 | -37.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L86 L89 L126 A127 | L86-G123 CarbonylContact O-C 3.53Å; L86-G123 WeakPolarHBondContact O-CA 3.44Å; L89-G123 WeakPolarHBondContact O-CA 3.24Å; L89-G123 PolarHBondContact O-N 3.05Å; G123-L126 CarbonylContact O-C 3.57Å; G123-L126 PolarHBondContact O-N 3.14Å; G123-A127 WeakPolarHBondContact O-CB 3.43Å; G123-A127 PolarHBondContact O-N 2.87Å |
| 124 | R | 96.1 | Very high | 97.3 | Very high | 158 Ų | 158 | 62.4 Ų | 62.4 | 60% | 0.596 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -69.9 | -37.9 | 178.1 | -62.1 | 178.2 | 176.8 | -93.3 | -0.7 | 111.8 | N87 N122 A127 Q128 | N87-R124 HydrophobicContact CB-CG 4.27Å; N87-R124 WeakPolarHBondContact O-CG 3.01Å; N122-R124 VanDerWaalsContact C-N 3.33Å; N122-R124 PolarHBondContact O-N 3.45Å; N122-R124 WeakPolarHBondContact OD1-CB 3.47Å; N122-R124 PolarHBondContact OD1-N 3.32Å; N122-R124 VanDerWaalsContact OD1-N 3.07Å; R124-A127 PolarHBondContact O-N 2.94Å; R124-Q128 PolarHBondContact O-N 3.35Å |
| 125 | V | 97.6 | Very high | 97.2 | Very high | 58 Ų | 58 | 62.7 Ų | 62.7 | 35% | 0.352 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.2 | -50.2 | 170.9 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | N122 A127 Q128 C129 | N122-V125 WeakPolarHBondContact ND2-CG2 3.26Å; N122-V125 WeakPolarHBondContact O-CB 3.28Å; N122-V125 PolarHBondContact O-N 3.3Å; N122-V125 VanDerWaalsContact O-N 3.16Å; N122-V125 PolarHBondContact OD1-N 2.96Å; V125-A127 VanDerWaalsContact C-N 3.25Å; V125-A127 PolarHBondContact O-N 3.22Å; V125-Q128 PolarHBondContact O-N 3.47Å; V125-Q128 VanDerWaalsContact O-N 3.1Å; V125-C129 HydrophobicContact CG1-CB 4.22Å; V125-C129 VanDerWaalsContact O-CB 3.26Å; V125-C129 WeakPolarHBondContact O-CB 3.25Å; V125-C129 PolarHBondContact O-N 2.86Å; V125-C129 PolarHBondContact O-SG 3.45Å |
| 126 | L | 97.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.4 | -23.3 | 178.8 | -72.6 | -177.9 | 0 | 0 | 0 | 114.6 | L86 V94 I121 N122 G123 L134 F148 V152 R156 | L86-L126 HydrophobicContact CD1-CB 4.01Å; L86-L126 HydrophobicContact CD2-CB 4.45Å; L86-L126 HydrophobicContact CG-CB 4.41Å; V94-L126 HydrophobicContact CB-CD1 4.41Å; V94-L126 HydrophobicContact CG1-CD1 3.54Å; V94-L126 HydrophobicContact CG2-CD1 3.89Å; I121-L126 HydrophobicContact CG2-CD1 4.12Å; I121-L126 HydrophobicContact CG2-CD2 3.52Å; I121-L126 HydrophobicContact CG2-CG 3.61Å; N122-L126 PolarHBondContact O-N 3.29Å; G123-L126 CarbonylContact O-C 3.57Å; G123-L126 PolarHBondContact O-N 3.14Å; L126-L134 HydrophobicContact CD2-CD1 3.8Å; L126-L134 HydrophobicContact CD2-CD2 3.68Å; L126-L134 HydrophobicContact CD2-CG 4.41Å; L126-F148 HydrophobicContact CD1-CZ 4.18Å; L126-F148 HydrophobicContact CD2-CE1 4.37Å; L126-F148 HydrophobicContact CD2-CZ 3.95Å; L126-V152 HydrophobicContact CB-CG1 4.5Å; L126-V152 HydrophobicContact CD1-CG2 4.31Å; L126-V152 HydrophobicContact CD2-CG1 4.48Å; L126-V152 HydrophobicContact CD2-CG2 4.12Å; L126-R156 PolarHBondContact O-NE 3.25Å; L126-R156 PolarHBondContact O-NH2 3.48Å |
| 127 | A | 96 | Very high | 97.1 | Very high | 22 Ų | 22 | 74 Ų | 74 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -74.9 | -31 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L86 N87 G123 R124 V125 R156 | L86-A127 HydrophobicContact CD2-CB 4.04Å; L86-A127 HydrophobicContact CG-CB 4.24Å; N87-A127 WeakPolarHBondContact OD1-CB 3.43Å; G123-A127 WeakPolarHBondContact O-CB 3.43Å; G123-A127 PolarHBondContact O-N 2.87Å; R124-A127 PolarHBondContact O-N 2.94Å; V125-A127 VanDerWaalsContact C-N 3.25Å; V125-A127 PolarHBondContact O-N 3.22Å; A127-R156 PolarHBondContact O-NE 2.95Å |
| 128 | Q | 95.4 | Very high | 97.1 | Very high | 150 Ų | 150 | 69.1 Ų | 69.1 | 70% | 0.701 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -116.6 | -24.1 | -165.5 | -60.6 | -179.6 | 19.3 | 0 | 0 | 114.9 | R124 V125 | R124-Q128 PolarHBondContact O-N 3.35Å; V125-Q128 PolarHBondContact O-N 3.47Å; V125-Q128 VanDerWaalsContact O-N 3.1Å |
| 129 | C | 96.4 | Very high | 96.9 | Very high | 29 Ų | 29 | 65.7 Ų | 65.7 | 20% | 0.196 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -65 | 154.2 | -173 | 69.3 | 0 | 0 | 0 | 0 | 113.3 | V125 R156 | V125-C129 HydrophobicContact CG1-CB 4.22Å; V125-C129 VanDerWaalsContact O-CB 3.26Å; V125-C129 WeakPolarHBondContact O-CB 3.25Å; V125-C129 PolarHBondContact O-N 2.86Å; V125-C129 PolarHBondContact O-SG 3.45Å; C129-R156 PolarHBondContact O-NH1 2.98Å; C129-R156 VanDerWaalsContact O-NH1 3.09Å; C129-R156 PolarHBondContact O-NH2 2.99Å; C129-R156 PolarHBondContact SG-NH2 2.91Å |
| 130 | N | 97.6 | Very high | 96.9 | Very high | 75 Ų | 75 | 65.3 Ų | 65.3 | 40% | 0.401 | 32% | 0.319 | S | S | . | . | | | trans | -66.7 | 135.1 | 168.5 | -176.5 | -0.3 | 0 | 0 | 0 | 109.9 | D132 E133 L134 | N130-D132 VanDerWaalsContact C-N 3.31Å; N130-D132 PolarHBondContact O-N 2.86Å; N130-D132 PolarHBondContact OD1-N 3.27Å; N130-E133 HydrophobicContact CB-CB 4.16Å; N130-E133 VanDerWaalsContact CB-CD 3.48Å; N130-E133 HydrophobicContact CB-CG 4.15Å; N130-E133 WeakPolarHBondContact CB-OE1 3.4Å; N130-E133 PolarHBondContact ND2-OE1 3.3Å; N130-E133 PolarHBondContact O-N 3.37Å; N130-L134 WeakPolarHBondContact O-CB 3.48Å; N130-L134 PolarHBondContact O-N 3.29Å |
| 131 | I | 97.1 | Very high | 96.8 | Very high | 20 Ų | 20 | 64 Ų | 64 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68 | -32.2 | -177.3 | -60.3 | -61.4 | 0 | 0 | 0 | 111.3 | K135 W145 R149 L153 | I131-K135 WeakPolarHBondContact O-CB 3.47Å; I131-K135 PolarHBondContact O-N 2.74Å; I131-W145 HydrophobicContact CG2-CH2 4.27Å; I131-W145 HydrophobicContact CG2-CZ2 3.73Å; I131-W145 WeakPolarHBondContact O-CH2 3.41Å; I131-W145 WeakPolarHBondContact O-CZ2 3.47Å; I131-R149 HydrophobicContact CG2-CG 3.97Å; I131-L153 HydrophobicContact CD1-CD2 4.17Å; I131-L153 HydrophobicContact CG1-CD2 4.42Å |
| 132 | D | 96.4 | Very high | 96.8 | Very high | 94 Ų | 94 | 71.2 Ų | 71.2 | 50% | 0.503 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -80.6 | -19.8 | 179.8 | -65.6 | -48 | 0 | 0 | 0 | 113.5 | N130 K136 | N130-D132 VanDerWaalsContact C-N 3.31Å; N130-D132 PolarHBondContact O-N 2.86Å; N130-D132 PolarHBondContact OD1-N 3.27Å; D132-K136 WeakPolarHBondContact O-CD 3.4Å; D132-K136 WeakPolarHBondContact O-CE 3.32Å; D132-K136 WeakPolarHBondContact O-CG 3.49Å |
| 133 | E | 97.1 | Very high | 96.8 | Very high | 115 Ų | 115 | 71.6 Ų | 71.6 | 54% | 0.537 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -79.9 | -46.7 | 167.6 | -73.6 | 152.5 | -137.5 | 0 | 0 | 110.2 | N130 K135 K136 E137 | N130-E133 HydrophobicContact CB-CB 4.16Å; N130-E133 VanDerWaalsContact CB-CD 3.48Å; N130-E133 HydrophobicContact CB-CG 4.15Å; N130-E133 WeakPolarHBondContact CB-OE1 3.4Å; N130-E133 PolarHBondContact ND2-OE1 3.3Å; N130-E133 PolarHBondContact O-N 3.37Å; E133-K135 PolarHBondContact O-N 3.49Å; E133-K136 WeakPolarHBondContact O-CB 3.36Å; E133-K136 PolarHBondContact O-N 3.49Å; E133-E137 PolarHBondContact O-N 3.05Å |
| 134 | L | 97.4 | Very high | 96.9 | Very high | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.037 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.9 | -36.3 | 174.1 | -176.7 | 67.1 | 0 | 0 | 0 | 111.8 | I121 L126 N130 K136 E137 M138 W145 F148 | I121-L134 HydrophobicContact CD1-CD1 4.15Å; I121-L134 HydrophobicContact CG2-CD1 4.38Å; L126-L134 HydrophobicContact CD2-CD1 3.8Å; L126-L134 HydrophobicContact CD2-CD2 3.68Å; L126-L134 HydrophobicContact CD2-CG 4.41Å; N130-L134 WeakPolarHBondContact O-CB 3.48Å; N130-L134 PolarHBondContact O-N 3.29Å; L134-K136 PolarHBondContact O-N 3.33Å; L134-E137 PolarHBondContact O-N 3.1Å; L134-M138 HydrophobicContact CD1-CG 3.79Å; L134-M138 HydrophobicContact CD1-SD 4.4Å; L134-M138 HydrophobicContact CG-CG 4.05Å; L134-M138 VanDerWaalsContact O-CB 3.25Å; L134-M138 WeakPolarHBondContact O-CB 3.49Å; L134-M138 WeakPolarHBondContact O-CG 3.4Å; L134-M138 PolarHBondContact O-N 3.24Å; L134-W145 HydrophobicContact CB-CH2 4.04Å; L134-W145 HydrophobicContact CD2-CH2 4.01Å; L134-W145 HydrophobicContact CD2-CZ3 4.3Å; L134-W145 HydrophobicContact CG-CH2 3.86Å; L134-W145 HydrophobicContact CG-CZ3 4Å; L134-F148 HydrophobicContact CD2-CE1 4.06Å; L134-F148 HydrophobicContact CG-CE1 4.39Å |
| 135 | K | 97.3 | Very high | 97 | Very high | 97 Ų | 97 | 64.6 Ų | 64.6 | 42% | 0.422 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.5 | -45 | 174 | -171.9 | 178 | -177.6 | -172.9 | 0 | 112.6 | I131 E133 N139 W145 | I131-K135 WeakPolarHBondContact O-CB 3.47Å; I131-K135 PolarHBondContact O-N 2.74Å; E133-K135 PolarHBondContact O-N 3.49Å; K135-N139 PolarHBondContact O-N 2.79Å; K135-W145 VanDerWaalsContact CA-CH2 3.49Å; K135-W145 HydrophobicContact CB-CD2 4.19Å; K135-W145 HydrophobicContact CB-CE3 4.48Å; K135-W145 HydrophobicContact CB-CH2 3.85Å; K135-W145 HydrophobicContact CB-CZ2 3.48Å; K135-W145 VanDerWaalsContact CB-CZ2 3.48Å; K135-W145 HydrophobicContact CB-CZ3 4.33Å; K135-W145 HydrophobicContact CG-CD2 3.85Å; K135-W145 HydrophobicContact CG-CE3 4.44Å; K135-W145 HydrophobicContact CG-CG 4.17Å; K135-W145 HydrophobicContact CG-CZ2 3.99Å; K135-W145 VanDerWaalsContact N-CH2 3.33Å |
| 136 | K | 96.8 | Very high | 97 | Very high | 161 Ų | 161 | 65.4 Ų | 65.4 | 70% | 0.7 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -69.3 | -43.8 | -178.4 | -65.2 | 166.5 | -172.6 | 173.1 | 0 | 110.6 | D132 E133 L134 | D132-K136 WeakPolarHBondContact O-CD 3.4Å; D132-K136 WeakPolarHBondContact O-CE 3.32Å; D132-K136 WeakPolarHBondContact O-CG 3.49Å; E133-K136 WeakPolarHBondContact O-CB 3.36Å; E133-K136 PolarHBondContact O-N 3.49Å; L134-K136 PolarHBondContact O-N 3.33Å |
| 137 | E | 97.4 | Very high | 97.1 | Very high | 105 Ų | 105 | 68.1 Ų | 68.1 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.8 | -44.5 | -179.4 | -165.9 | 60.8 | -147.6 | 0 | 0 | 111.9 | T115 A119 I121 E133 L134 N139 | T115-E137 WeakPolarHBondContact CG2-O 3.21Å; A119-E137 HydrophobicContact CB-CG 3.74Å; A119-E137 WeakPolarHBondContact CB-OE1 3.43Å; I121-E137 HydrophobicContact CD1-CG 4.2Å; E133-E137 PolarHBondContact O-N 3.05Å; L134-E137 PolarHBondContact O-N 3.1Å; E137-N139 VanDerWaalsContact C-N 3.32Å; E137-N139 PolarHBondContact O-N 3.25Å |
| 138 | M | 96.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.3 | -30 | -179.4 | -72.4 | -63.8 | -61 | 0 | 0 | 113.5 | I116 I121 L134 M140 W145 F148 | I116-M138 HydrophobicContact CD1-CE 3.97Å; I116-M138 HydrophobicContact CG1-CE 3.86Å; I116-M138 HydrophobicContact CG1-SD 3.87Å; I121-M138 HydrophobicContact CD1-CG 4.43Å; I121-M138 HydrophobicContact CD1-SD 3.58Å; I121-M138 VanDerWaalsContact CD1-SD 3.58Å; L134-M138 HydrophobicContact CD1-CG 3.79Å; L134-M138 HydrophobicContact CD1-SD 4.4Å; L134-M138 HydrophobicContact CG-CG 4.05Å; L134-M138 VanDerWaalsContact O-CB 3.25Å; L134-M138 WeakPolarHBondContact O-CB 3.49Å; L134-M138 WeakPolarHBondContact O-CG 3.4Å; L134-M138 PolarHBondContact O-N 3.24Å; M138-M140 HydrophobicContact CB-CG 4.15Å; M138-M140 HydrophobicContact CB-SD 4.05Å; M138-M140 HydrophobicContact CE-CE 3.4Å; M138-M140 HydrophobicContact CE-CG 4.36Å; M138-M140 HydrophobicContact CE-SD 3.68Å; M138-M140 PolarHBondContact O-N 3.07Å; M138-W145 HydrophobicContact CB-CE3 4.38Å; M138-W145 HydrophobicContact CB-CZ3 4.23Å; M138-W145 HydrophobicContact CG-CZ3 4.18Å; M138-F148 HydrophobicContact CE-CD1 4.13Å; M138-F148 HydrophobicContact CE-CE1 3.76Å; M138-F148 HydrophobicContact CE-CZ 4.01Å; M138-F148 HydrophobicContact CG-CD1 4.37Å; M138-F148 HydrophobicContact CG-CE1 3.86Å; M138-F148 HydrophobicContact SD-CE1 3.97Å; M138-F148 HydrophobicContact SD-CZ 4.29Å |
| 139 | N | 95.6 | Very high | 97.3 | Very high | 116 Ų | 116 | 64.4 Ų | 64.4 | 62% | 0.62 | 32% | 0.319 | S | S | * | . | | | trans | 44 | 47.3 | -179.7 | -166.2 | 71 | 0 | 0 | 0 | 113.7 | K135 E137 | K135-N139 PolarHBondContact O-N 2.79Å; E137-N139 VanDerWaalsContact C-N 3.32Å; E137-N139 PolarHBondContact O-N 3.25Å |
| 140 | M | 96.9 | Very high | 97.3 | Very high | 24 Ų | 24 | 66.3 Ų | 66.3 | 12% | 0.118 | 33% | 0.333 | C | S | . | . | | | trans | -83.8 | 154.9 | -179.9 | -78.7 | 166.4 | 145.8 | 0 | 0 | 112.6 | L98 Y112 M138 D144 W145 F148 | L98-M140 HydrophobicContact CD1-CE 3.54Å; L98-M140 HydrophobicContact CD2-CE 4.42Å; Y112-M140 HydrophobicContact CD1-CE 4.47Å; Y112-M140 HydrophobicContact CD1-CG 3.73Å; Y112-M140 HydrophobicContact CD2-CE 3.77Å; Y112-M140 HydrophobicContact CD2-CG 4.25Å; Y112-M140 HydrophobicContact CE1-CB 4.07Å; Y112-M140 HydrophobicContact CE1-CG 3.56Å; Y112-M140 HydrophobicContact CE2-CE 4.25Å; Y112-M140 HydrophobicContact CE2-CG 4.09Å; Y112-M140 HydrophobicContact CG-CE 3.89Å; Y112-M140 HydrophobicContact CG-CG 4.08Å; M138-M140 HydrophobicContact CB-CG 4.15Å; M138-M140 HydrophobicContact CB-SD 4.05Å; M138-M140 HydrophobicContact CE-CE 3.4Å; M138-M140 HydrophobicContact CE-CG 4.36Å; M138-M140 HydrophobicContact CE-SD 3.68Å; M138-M140 PolarHBondContact O-N 3.07Å; M140-D144 HydrophobicContact CB-CB 4.18Å; M140-D144 HydrophobicContact CG-CB 4.46Å; M140-W145 HydrophobicContact CB-CB 3.91Å; M140-W145 HydrophobicContact SD-CE3 4.07Å; M140-F148 HydrophobicContact CE-CB 3.85Å; M140-F148 HydrophobicContact CE-CD1 4.17Å; M140-F148 HydrophobicContact CE-CD2 4.36Å; M140-F148 HydrophobicContact CE-CG 3.88Å; M140-F148 HydrophobicContact SD-CB 3.81Å; M140-F148 HydrophobicContact SD-CD1 3.81Å; M140-F148 HydrophobicContact SD-CG 3.97Å |
| 141 | N | 96.5 | Very high | 97.3 | Very high | 72 Ų | 72 | 64.5 Ų | 64.5 | 39% | 0.385 | 32% | 0.324 | S | S | . | . | | | trans | -53.6 | 154.8 | 163.9 | -63.5 | -40.7 | 0 | 0 | 0 | 110.8 | Y112 G143 D144 W145 | Y112-N141 PolarHBondContact OH-N 3.45Å; Y112-N141 PolarHBondContact OH-ND2 2.79Å; Y112-N141 VanDerWaalsContact OH-ND2 3.15Å; N141-G143 PolarHBondContact O-N 3.09Å; N141-D144 HydrophobicContact CB-CB 4.24Å; N141-D144 WeakPolarHBondContact CB-OD2 3.4Å; N141-D144 PolarHBondContact ND2-OD2 3.36Å; N141-D144 PolarHBondContact O-N 2.91Å; N141-W145 WeakPolarHBondContact O-CB 3.4Å; N141-W145 PolarHBondContact O-N 3.37Å |
| 142 | F | 97.6 | Very high | 97.3 | Very high | 155 Ų | 155 | 63.7 Ų | 63.7 | 68% | 0.68 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -55.6 | -45.2 | -176.6 | 178.8 | -97.2 | 0 | 0 | 0 | 113.6 | H146 | F142-H146 AromaticContact CE2-CD2 3.8Å; F142-H146 AromaticContact CE2-NE2 3.62Å; F142-H146 AromaticContact CZ-CD2 3.81Å; F142-H146 AromaticContact CZ-NE2 3.7Å; F142-H146 PolarHBondContact O-CD2 3.39Å; F142-H146 PolarHBondContact O-N 3.48Å |
| 143 | G | 97.6 | Very high | 97.3 | Very high | 41 Ų | 41 | 62.2 Ų | 62.2 | 42% | 0.423 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.3 | -53.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N141 W145 H146 L147 | N141-G143 PolarHBondContact O-N 3.09Å; G143-W145 VanDerWaalsContact C-N 3.26Å; G143-W145 PolarHBondContact O-N 3.45Å; G143-H146 PolarHBondContact O-N 2.79Å; G143-L147 PolarHBondContact O-N 3.21Å |
| 144 | D | 98 | Very high | 97.2 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 4% | 0.043 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54 | -43.2 | 178.9 | -65.3 | -35.3 | 0 | 0 | 0 | 112.3 | L104 D105 Y112 M140 N141 H146 L147 F148 | L104-D144 WeakPolarHBondContact CA-OD1 3.41Å; L104-D144 HydrophobicContact CD2-CB 3.66Å; L104-D144 WeakPolarHBondContact CD2-OD1 3.45Å; D105-D144 PolarHBondContact N-OD1 2.78Å; Y112-D144 HydrophobicContact CE2-CB 3.87Å; Y112-D144 WeakPolarHBondContact CE2-OD2 3.34Å; Y112-D144 PolarHBondContact OH-OD2 2.99Å; M140-D144 HydrophobicContact CB-CB 4.18Å; M140-D144 HydrophobicContact CG-CB 4.46Å; N141-D144 HydrophobicContact CB-CB 4.24Å; N141-D144 WeakPolarHBondContact CB-OD2 3.4Å; N141-D144 PolarHBondContact ND2-OD2 3.36Å; N141-D144 PolarHBondContact O-N 2.91Å; D144-H146 PolarHBondContact O-N 3.09Å; D144-L147 PolarHBondContact O-N 2.76Å; D144-F148 WeakPolarHBondContact O-CB 3.33Å; D144-F148 PolarHBondContact O-N 3.45Å |
| 145 | W | 98.1 | Very high | 97 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 1% | 0.011 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 175.4 | 173.1 | -111.6 | 0 | 0 | 0 | 112.2 | I131 L134 K135 M138 M140 N141 G143 F148 R149 | I131-W145 HydrophobicContact CG2-CH2 4.27Å; I131-W145 HydrophobicContact CG2-CZ2 3.73Å; I131-W145 WeakPolarHBondContact O-CH2 3.41Å; I131-W145 WeakPolarHBondContact O-CZ2 3.47Å; L134-W145 HydrophobicContact CB-CH2 4.04Å; L134-W145 HydrophobicContact CD2-CH2 4.01Å; L134-W145 HydrophobicContact CD2-CZ3 4.3Å; L134-W145 HydrophobicContact CG-CH2 3.86Å; L134-W145 HydrophobicContact CG-CZ3 4Å; K135-W145 VanDerWaalsContact CA-CH2 3.49Å; K135-W145 HydrophobicContact CB-CD2 4.19Å; K135-W145 HydrophobicContact CB-CE3 4.48Å; K135-W145 HydrophobicContact CB-CH2 3.85Å; K135-W145 HydrophobicContact CB-CZ2 3.48Å; K135-W145 VanDerWaalsContact CB-CZ2 3.48Å; K135-W145 HydrophobicContact CB-CZ3 4.33Å; K135-W145 HydrophobicContact CG-CD2 3.85Å; K135-W145 HydrophobicContact CG-CE3 4.44Å; K135-W145 HydrophobicContact CG-CG 4.17Å; K135-W145 HydrophobicContact CG-CZ2 3.99Å; K135-W145 VanDerWaalsContact N-CH2 3.33Å; M138-W145 HydrophobicContact CB-CE3 4.38Å; M138-W145 HydrophobicContact CB-CZ3 4.23Å; M138-W145 HydrophobicContact CG-CZ3 4.18Å; M140-W145 HydrophobicContact CB-CB 3.91Å; M140-W145 HydrophobicContact SD-CE3 4.07Å; N141-W145 WeakPolarHBondContact O-CB 3.4Å; N141-W145 PolarHBondContact O-N 3.37Å; G143-W145 VanDerWaalsContact C-N 3.26Å; G143-W145 PolarHBondContact O-N 3.45Å; W145-F148 HydrophobicContact CE3-CD1 4.2Å; W145-F148 AromaticContact CZ3-CD1 3.88Å; W145-F148 HydrophobicContact CZ3-CD1 3.88Å; W145-F148 HydrophobicContact CZ3-CE1 4.33Å; W145-R149 HydrophobicContact CZ2-CB 4.1Å; W145-R149 HydrophobicContact CZ2-CG 4.28Å; W145-R149 WeakPolarHBondContact O-CB 3.35Å; W145-R149 PolarHBondContact O-N 2.92Å |
| 146 | H | 98.3 | Very high | 96.8 | Very high | 75 Ų | 75 | 61.4 Ų | 61.4 | 35% | 0.347 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.6 | -36 | 179.6 | -93.3 | -95.9 | 0 | 0 | 0 | 112.4 | F142 G143 D144 S150 | F142-H146 AromaticContact CE2-CD2 3.8Å; F142-H146 AromaticContact CE2-NE2 3.62Å; F142-H146 AromaticContact CZ-CD2 3.81Å; F142-H146 AromaticContact CZ-NE2 3.7Å; F142-H146 PolarHBondContact O-CD2 3.39Å; F142-H146 PolarHBondContact O-N 3.48Å; G143-H146 PolarHBondContact O-N 2.79Å; D144-H146 PolarHBondContact O-N 3.09Å; H146-S150 WeakPolarHBondContact O-CB 3.38Å; H146-S150 PolarHBondContact O-N 3.02Å; H146-S150 VanDerWaalsContact O-N 3.14Å; H146-S150 PolarHBondContact O-OG 3.31Å |
| 147 | L | 98.3 | Very high | 96.6 | Very high | 61 Ų | 61 | 58.5 Ų | 58.5 | 32% | 0.319 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65 | -54.8 | 172.5 | -64.3 | 171.3 | 0 | 0 | 0 | 110.8 | I101 G103 L104 G143 D144 R149 S150 T151 | I101-L147 HydrophobicContact CG2-CB 3.74Å; G103-L147 VanDerWaalsContact C-CD1 3.42Å; G103-L147 WeakPolarHBondContact O-CD1 3.35Å; L104-L147 HydrophobicContact CD2-CB 4.3Å; L104-L147 HydrophobicContact CD2-CD1 4.23Å; G143-L147 PolarHBondContact O-N 3.21Å; D144-L147 PolarHBondContact O-N 2.76Å; L147-R149 PolarHBondContact O-N 3.29Å; L147-S150 WeakPolarHBondContact O-CB 3.46Å; L147-S150 PolarHBondContact O-N 3.49Å; L147-T151 PolarHBondContact O-N 3.08Å; L147-T151 VanDerWaalsContact O-N 3.08Å; L147-T151 PolarHBondContact O-OG1 2.84Å |
| 148 | F | 98.1 | Very high | 96.2 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59 | -45.4 | 179.6 | -179.9 | -113.8 | 0 | 0 | 0 | 112.9 | L98 I101 L126 L134 M138 M140 D144 W145 S150 T151 V152 | L98-F148 HydrophobicContact CD1-CD2 3.55Å; L98-F148 HydrophobicContact CD1-CE2 4.04Å; L98-F148 HydrophobicContact CD1-CG 4.24Å; I101-F148 HydrophobicContact CD1-CB 4.36Å; I101-F148 HydrophobicContact CD1-CD2 3.93Å; L126-F148 HydrophobicContact CD1-CZ 4.18Å; L126-F148 HydrophobicContact CD2-CE1 4.37Å; L126-F148 HydrophobicContact CD2-CZ 3.95Å; L134-F148 HydrophobicContact CD2-CE1 4.06Å; L134-F148 HydrophobicContact CG-CE1 4.39Å; M138-F148 HydrophobicContact CE-CD1 4.13Å; M138-F148 HydrophobicContact CE-CE1 3.76Å; M138-F148 HydrophobicContact CE-CZ 4.01Å; M138-F148 HydrophobicContact CG-CD1 4.37Å; M138-F148 HydrophobicContact CG-CE1 3.86Å; M138-F148 HydrophobicContact SD-CE1 3.97Å; M138-F148 HydrophobicContact SD-CZ 4.29Å; M140-F148 HydrophobicContact CE-CB 3.85Å; M140-F148 HydrophobicContact CE-CD1 4.17Å; M140-F148 HydrophobicContact CE-CD2 4.36Å; M140-F148 HydrophobicContact CE-CG 3.88Å; M140-F148 HydrophobicContact SD-CB 3.81Å; M140-F148 HydrophobicContact SD-CD1 3.81Å; M140-F148 HydrophobicContact SD-CG 3.97Å; D144-F148 WeakPolarHBondContact O-CB 3.33Å; D144-F148 PolarHBondContact O-N 3.45Å; W145-F148 HydrophobicContact CE3-CD1 4.2Å; W145-F148 AromaticContact CZ3-CD1 3.88Å; W145-F148 HydrophobicContact CZ3-CD1 3.88Å; W145-F148 HydrophobicContact CZ3-CE1 4.33Å; F148-S150 VanDerWaalsContact C-N 3.27Å; F148-S150 PolarHBondContact O-N 2.93Å; F148-T151 PolarHBondContact O-N 3.34Å; F148-V152 HydrophobicContact CD1-CG2 4.4Å; F148-V152 HydrophobicContact CD2-CG2 4.28Å; F148-V152 HydrophobicContact CE1-CG2 4.04Å; F148-V152 HydrophobicContact CE2-CG2 3.91Å; F148-V152 HydrophobicContact CZ-CG2 3.79Å; F148-V152 WeakPolarHBondContact O-CG2 3.37Å; F148-V152 PolarHBondContact O-N 2.68Å |
| 149 | R | 97.8 | Very high | 95.6 | Very high | 88 Ų | 88 | 57.8 Ų | 57.8 | 33% | 0.332 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.6 | -40.9 | 173.9 | 178.3 | -175.5 | 178.7 | 175.7 | 9.2 | 111.8 | I131 W145 L147 L153 | I131-R149 HydrophobicContact CG2-CG 3.97Å; W145-R149 HydrophobicContact CZ2-CB 4.1Å; W145-R149 HydrophobicContact CZ2-CG 4.28Å; W145-R149 WeakPolarHBondContact O-CB 3.35Å; W145-R149 PolarHBondContact O-N 2.92Å; L147-R149 PolarHBondContact O-N 3.29Å; R149-L153 HydrophobicContact CG-CD1 3.98Å; R149-L153 WeakPolarHBondContact O-CB 3.14Å; R149-L153 VanDerWaalsContact O-CG 3.29Å; R149-L153 WeakPolarHBondContact O-CG 3.37Å; R149-L153 PolarHBondContact O-N 3.01Å |
| 150 | S | 97.6 | Very high | 94.6 | Very high | 69 Ų | 69 | 56.7 Ų | 56.7 | 48% | 0.483 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.1 | -46.9 | -179.7 | -59.5 | 0 | 0 | 0 | 0 | 111 | H146 L147 F148 V152 L153 E154 | H146-S150 WeakPolarHBondContact O-CB 3.38Å; H146-S150 PolarHBondContact O-N 3.02Å; H146-S150 VanDerWaalsContact O-N 3.14Å; H146-S150 PolarHBondContact O-OG 3.31Å; L147-S150 WeakPolarHBondContact O-CB 3.46Å; L147-S150 PolarHBondContact O-N 3.49Å; F148-S150 VanDerWaalsContact C-N 3.27Å; F148-S150 PolarHBondContact O-N 2.93Å; S150-V152 PolarHBondContact O-N 3.41Å; S150-L153 PolarHBondContact O-N 2.98Å; S150-E154 WeakPolarHBondContact O-CB 3.33Å; S150-E154 PolarHBondContact O-N 3.35Å |
| 151 | T | 96.5 | Very high | 92.7 | Very high | 36 Ų | 36 | 63.1 Ų | 63.1 | 22% | 0.221 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.3 | -42 | 175.4 | -54.9 | 0 | 0 | 0 | 0 | 112.4 | I101 L147 F148 L153 E154 M155 | I101-T151 HydrophobicContact CD1-CG2 4.11Å; I101-T151 WeakPolarHBondContact CD1-OG1 3.33Å; I101-T151 HydrophobicContact CG1-CG2 4.31Å; L147-T151 PolarHBondContact O-N 3.08Å; L147-T151 VanDerWaalsContact O-N 3.08Å; L147-T151 PolarHBondContact O-OG1 2.84Å; F148-T151 PolarHBondContact O-N 3.34Å; T151-L153 VanDerWaalsContact C-N 3.35Å; T151-L153 PolarHBondContact O-N 3.05Å; T151-E154 PolarHBondContact O-N 3.14Å; T151-M155 HydrophobicContact CG2-CG 4.47Å; T151-M155 HydrophobicContact CG2-SD 4.36Å; T151-M155 WeakPolarHBondContact O-CB 3.42Å; T151-M155 WeakPolarHBondContact O-CG 3.49Å; T151-M155 PolarHBondContact O-N 3.44Å |
| 152 | V | 96.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.024 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 176.7 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | L126 F148 S150 R156 | L126-V152 HydrophobicContact CB-CG1 4.5Å; L126-V152 HydrophobicContact CD1-CG2 4.31Å; L126-V152 HydrophobicContact CD2-CG1 4.48Å; L126-V152 HydrophobicContact CD2-CG2 4.12Å; F148-V152 HydrophobicContact CD1-CG2 4.4Å; F148-V152 HydrophobicContact CD2-CG2 4.28Å; F148-V152 HydrophobicContact CE1-CG2 4.04Å; F148-V152 HydrophobicContact CE2-CG2 3.91Å; F148-V152 HydrophobicContact CZ-CG2 3.79Å; F148-V152 WeakPolarHBondContact O-CG2 3.37Å; F148-V152 PolarHBondContact O-N 2.68Å; S150-V152 PolarHBondContact O-N 3.41Å; V152-R156 WeakPolarHBondContact O-CG 3.29Å; V152-R156 PolarHBondContact O-N 3.29Å |
| 153 | L | 96 | Very high | 88.3 | Confident | 62 Ų | 62 | 61 Ų | 61 | 33% | 0.325 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.5 | -39.8 | 176.8 | -69.8 | 172.6 | 0 | 0 | 0 | 112.4 | I131 R149 S150 T151 M155 R156 N157 | I131-L153 HydrophobicContact CD1-CD2 4.17Å; I131-L153 HydrophobicContact CG1-CD2 4.42Å; R149-L153 HydrophobicContact CG-CD1 3.98Å; R149-L153 WeakPolarHBondContact O-CB 3.14Å; R149-L153 VanDerWaalsContact O-CG 3.29Å; R149-L153 WeakPolarHBondContact O-CG 3.37Å; R149-L153 PolarHBondContact O-N 3.01Å; S150-L153 PolarHBondContact O-N 2.98Å; T151-L153 VanDerWaalsContact C-N 3.35Å; T151-L153 PolarHBondContact O-N 3.05Å; L153-M155 VanDerWaalsContact C-N 3.34Å; L153-M155 PolarHBondContact O-N 3.08Å; L153-R156 PolarHBondContact O-N 3Å; L153-N157 WeakPolarHBondContact O-CB 3.08Å; L153-N157 PolarHBondContact O-N 3.29Å; L153-N157 PolarHBondContact O-ND2 3.22Å |
| 154 | E | 94.8 | Very high | 85.8 | Confident | 117 Ų | 117 | 65 Ų | 65 | 55% | 0.547 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58 | -46.2 | 172.8 | -176.8 | 175.9 | -145.8 | 0 | 0 | 111 | S150 T151 N157 A158 | S150-E154 WeakPolarHBondContact O-CB 3.33Å; S150-E154 PolarHBondContact O-N 3.35Å; T151-E154 PolarHBondContact O-N 3.14Å; E154-N157 PolarHBondContact O-N 2.87Å; E154-A158 WeakPolarHBondContact O-CB 3.41Å; E154-A158 PolarHBondContact O-N 2.86Å |
| 155 | M | 93.4 | Very high | 83.2 | Confident | 30 Ų | 30 | 72.5 Ų | 72.5 | 15% | 0.148 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.2 | -37 | 178.4 | -69.4 | -168.6 | 71.2 | 0 | 0 | 113.3 | V84 L86 L89 T151 L153 E159 | V84-M155 WeakPolarHBondContact O-CE 3.33Å; L86-M155 HydrophobicContact CB-CB 4.17Å; L86-M155 HydrophobicContact CB-CE 4.29Å; L86-M155 HydrophobicContact CD1-CB 4.1Å; L86-M155 HydrophobicContact CD1-CE 4.04Å; L86-M155 HydrophobicContact CD1-SD 4.18Å; L86-M155 HydrophobicContact CD2-CB 4.03Å; L86-M155 HydrophobicContact CG-CB 4.32Å; L89-M155 HydrophobicContact CD1-CE 4.05Å; T151-M155 HydrophobicContact CG2-CG 4.47Å; T151-M155 HydrophobicContact CG2-SD 4.36Å; T151-M155 WeakPolarHBondContact O-CB 3.42Å; T151-M155 WeakPolarHBondContact O-CG 3.49Å; T151-M155 PolarHBondContact O-N 3.44Å; L153-M155 VanDerWaalsContact C-N 3.34Å; L153-M155 PolarHBondContact O-N 3.08Å; M155-E159 PolarHBondContact O-N 2.99Å |
| 156 | R | 94.9 | Very high | 80.1 | Confident | 55 Ų | 55 | 75.8 Ų | 75.8 | 21% | 0.208 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 170.8 | -76.5 | -177.5 | -168.6 | -161 | 0.6 | 111.5 | L86 L126 A127 C129 V152 L153 S160 | L86-R156 HydrophobicContact CD2-CB 4.47Å; L86-R156 HydrophobicContact CD2-CG 3.64Å; L126-R156 PolarHBondContact O-NE 3.25Å; L126-R156 PolarHBondContact O-NH2 3.48Å; A127-R156 PolarHBondContact O-NE 2.95Å; C129-R156 PolarHBondContact O-NH1 2.98Å; C129-R156 VanDerWaalsContact O-NH1 3.09Å; C129-R156 PolarHBondContact O-NH2 2.99Å; C129-R156 PolarHBondContact SG-NH2 2.91Å; V152-R156 WeakPolarHBondContact O-CG 3.29Å; V152-R156 PolarHBondContact O-N 3.29Å; L153-R156 PolarHBondContact O-N 3Å; R156-S160 WeakPolarHBondContact O-CB 3.46Å; R156-S160 PolarHBondContact O-N 3.31Å |
| 157 | N | 92.2 | Very high | 77.4 | Confident | 101 Ų | 101 | 78.1 Ų | 78.1 | 54% | 0.54 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | -179.7 | -66.9 | -18.2 | 0 | 0 | 0 | 111.5 | L153 E154 S160 H161 | L153-N157 WeakPolarHBondContact O-CB 3.08Å; L153-N157 PolarHBondContact O-N 3.29Å; L153-N157 PolarHBondContact O-ND2 3.22Å; E154-N157 PolarHBondContact O-N 2.87Å; N157-S160 PolarHBondContact O-N 2.74Å; N157-H161 PolarHBondContact O-CD2 3.3Å; N157-H161 VanDerWaalsContact O-CD2 3.25Å; N157-H161 PolarHBondContact O-N 2.97Å |
| 158 | A | 88.4 | Confident | 74.5 | Confident | 46 Ų | 46 | 83 Ų | 83 | 38% | 0.38 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E154 H161 | E154-A158 WeakPolarHBondContact O-CB 3.41Å; E154-A158 PolarHBondContact O-N 2.86Å; A158-H161 PolarHBondContact O-N 3.28Å |
| 159 | E | 83.4 | Confident | 71.5 | Confident | 44 Ų | 44 | 90.9 Ų | 90.9 | 21% | 0.206 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -68.1 | -32.9 | 177.1 | -176.6 | 161.2 | 179.7 | 0 | 0 | 112.7 | L85 L86 N87 M155 H161 V162 | L85-E159 HydrophobicContact CD2-CB 4.26Å; L85-E159 HydrophobicContact CD2-CG 3.7Å; L86-E159 WeakPolarHBondContact CA-OE2 3.46Å; L86-E159 WeakPolarHBondContact CB-OE2 3.44Å; L86-E159 PolarHBondContact N-OE2 2.66Å; N87-E159 WeakPolarHBondContact CB-OE1 3.38Å; N87-E159 PolarHBondContact N-OE2 3.08Å; N87-E159 VanDerWaalsContact ND2-CD 3.28Å; N87-E159 PolarHBondContact ND2-OE1 2.93Å; N87-E159 PolarHBondContact ND2-OE2 2.91Å; M155-E159 PolarHBondContact O-N 2.99Å; E159-H161 PolarHBondContact O-N 2.85Å; E159-H161 VanDerWaalsContact O-N 3.08Å; E159-V162 PolarHBondContact O-N 2.95Å |
| 160 | S | 75.5 | Confident | 68.9 | Low | 93 Ų | 93 | 95.1 Ų | 95.1 | 65% | 0.65 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -12.3 | 175.5 | -169.2 | 0 | 0 | 0 | 0 | 114.4 | R156 N157 | R156-S160 WeakPolarHBondContact O-CB 3.46Å; R156-S160 PolarHBondContact O-N 3.31Å; N157-S160 PolarHBondContact O-N 2.74Å |
| 161 | H | 57.9 | Low | 65.9 | Low | 159 Ų | 159 | 96.5 Ų | 96.5 | 74% | 0.736 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -2.9 | 173 | -70.5 | -63.9 | 0 | 0 | 0 | 113.9 | N157 A158 E159 V163 | N157-H161 PolarHBondContact O-CD2 3.3Å; N157-H161 VanDerWaalsContact O-CD2 3.25Å; N157-H161 PolarHBondContact O-N 2.97Å; A158-H161 PolarHBondContact O-N 3.28Å; E159-H161 PolarHBondContact O-N 2.85Å; E159-H161 VanDerWaalsContact O-N 3.08Å; H161-V163 PolarHBondContact O-N 2.91Å |
| 162 | V | 57.9 | Low | 62.9 | Low | 81 Ų | 81 | 103.5 Ų | 103.5 | 49% | 0.491 | 55% | 0.547 | S | S | . | . | | | trans | -83.9 | 68.6 | 172.6 | -171 | 0 | 0 | 0 | 0 | 109.8 | L85 E159 | L85-V162 HydrophobicContact CD2-CB 4.22Å; L85-V162 HydrophobicContact CD2-CG1 4.3Å; L85-V162 HydrophobicContact CD2-CG2 4.05Å; E159-V162 PolarHBondContact O-N 2.95Å |
| 163 | V | 42.6 | Very low | 59.9 | Low | 102 Ų | 102 | 109.3 Ų | 109.3 | 62% | 0.618 | 59% | 0.588 | S | S | * | * | | | trans | -65.3 | 138.5 | 157.3 | 175.5 | 0 | 0 | 0 | 0 | 107.5 | H161 E165 | H161-V163 PolarHBondContact O-N 2.91Å; V163-E165 PolarHBondContact O-N 3.2Å |
| 164 | P | 44.5 | Very low | 56.7 | Low | 123 Ų | 123 | 111.2 Ų | 111.2 | 80% | 0.799 | 61% | 0.606 | S | S | * | * | | | trans | -64.1 | 98.2 | 172 | -22.7 | 34.7 | 0 | 0 | 0 | 111.2 | D166 | P164-D166 PolarHBondContact O-N 3.01Š|
| 165 | E | 43.3 | Very low | 53.9 | Low | 167 Ų | 167 | 112 Ų | 112 | 78% | 0.78 | 62% | 0.624 | S | S | * | * | | | trans | -57 | 124.3 | 164.4 | -75.5 | -68.6 | 116.4 | 0 | 0 | 109 | V163 P167 | V163-E165 PolarHBondContact O-N 3.2Å; E165-P167 WeakPolarHBondContact O-CD 3.39Å |
| 166 | D | 33.6 | Very low | 50.9 | Low | 72 Ų | 72 | 113.9 Ų | 113.9 | 39% | 0.385 | 65% | 0.652 | S | S | . | * | | | trans | -61.7 | 118.1 | -179.9 | -177.1 | -6.7 | 0 | 0 | 0 | 109.3 | P164 R168 | P164-D166 PolarHBondContact O-N 3.01Å; D166-R168 VanDerWaalsContact CG-NE 3.3Å; D166-R168 PolarHBondContact O-N 3.47Å; D166-R168 WeakPolarHBondContact OD1-CD 3.47Å; D166-R168 VanDerWaalsContact OD1-CG 3.3Å; D166-R168 WeakPolarHBondContact OD1-CG 3.44Å; D166-R168 IonicContact OD1-CZ 3.27Å; D166-R168 IonicContact OD1-NE 3.92Å; D166-R168 PolarHBondContact OD1-NE 3.37Å; D166-R168 IonicContact OD2-CZ 2.65Å; D166-R168 IonicContact OD2-NE 3.2Å; D166-R168 PolarHBondContact OD2-NE 3.41Å; D166-R168 IonicContact OD2-NH2 3.04Å; D166-R168 PolarHBondContact OD2-NH2 2.77Å |
| 167 | P | 42.5 | Very low | 48.3 | Very low | 124 Ų | 124 | 117.2 Ų | 117.2 | 81% | 0.805 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 28 | -165.9 | 30.8 | -37.7 | 0 | 0 | 0 | 114.6 | E165 | E165-P167 WeakPolarHBondContact O-CD 3.39Š|
| 168 | R | 37.3 | Very low | 45.5 | Very low | 164 Ų | 164 | 117 Ų | 117 | 62% | 0.619 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 0.5 | -174.9 | -60.8 | -176.5 | -55.4 | 117.1 | 1.6 | 114.2 | D166 | D166-R168 VanDerWaalsContact CG-NE 3.3Å; D166-R168 PolarHBondContact O-N 3.47Å; D166-R168 WeakPolarHBondContact OD1-CD 3.47Å; D166-R168 VanDerWaalsContact OD1-CG 3.3Å; D166-R168 WeakPolarHBondContact OD1-CG 3.44Å; D166-R168 IonicContact OD1-CZ 3.27Å; D166-R168 IonicContact OD1-NE 3.92Å; D166-R168 PolarHBondContact OD1-NE 3.37Å; D166-R168 IonicContact OD2-CZ 2.65Å; D166-R168 IonicContact OD2-NE 3.2Å; D166-R168 PolarHBondContact OD2-NE 3.41Å; D166-R168 IonicContact OD2-NH2 3.04Å; D166-R168 PolarHBondContact OD2-NH2 2.77Å |
| 169 | F | 35.3 | Very low | 43 | Very low | 171 Ų | 171 | 120.8 Ų | 120.8 | 75% | 0.75 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -102.9 | 20.3 | 179.6 | -73.1 | -71.9 | 0 | 0 | 0 | 115 | | |
| 170 | L | 42.2 | Very low | 40.7 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 93% | 0.932 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -121.3 | 46.8 | 170.4 | -70.8 | 179 | 0 | 0 | 0 | 112.6 | | |
| 171 | S | 34.4 | Very low | 38.4 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | | | trans | -150.1 | 152.6 | 168.9 | 54.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 172 | E | 33.6 | Very low | 37 | Very low | 182 Ų | 182 | 126.1 Ų | 126.1 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | | | trans | 77.6 | 81.8 | 165.9 | -153 | 135.9 | 118.5 | 0 | 0 | 118.5 | | |
| 173 | S | 34.1 | Very low | 36.1 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | | | trans | -133.3 | 41.7 | 155 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 174 | S | 29.1 | Very low | 35.6 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | | | trans | -132.3 | 92.5 | 169.7 | 62.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 175 | S | 35.4 | Very low | 34.9 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 93% | 0.93 | 77% | 0.767 | S | S | * | * | | | trans | -73.4 | 136.5 | -172.9 | -42.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 176 | G | 31.7 | Very low | 34.4 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | trans | -138.5 | 136.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 177 | P | 38.6 | Very low | 33.9 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | trans | -101.1 | 133.4 | -163.8 | 35.6 | -33.6 | 0 | 0 | 0 | 116.2 | | |
| 178 | A | 34.8 | Very low | 33.2 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | trans | 68.2 | 165.8 | 148.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 179 | P | 36.3 | Very low | 32.8 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | cis | -127.5 | 163.7 | 5.9 | 41.5 | -26.1 | 0 | 0 | 0 | 118.2 | | |
| 180 | H | 33.4 | Very low | 32.6 | Very low | 188 Ų | 188 | 135.2 Ų | 135.2 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | | | trans | -26.9 | 140.7 | 159.9 | 179.3 | 83.5 | 0 | 0 | 0 | 117.8 | | |
| 181 | G | 27.9 | Very low | 31.9 | Very low | 74 Ų | 74 | 134.5 Ų | 134.5 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | | | trans | -178.8 | 68 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 182 | E | 29.5 | Very low | 32 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | | | trans | -88 | 148.9 | 159 | -137.5 | -143.9 | 115.3 | 0 | 0 | 109.1 | A184 | E182-A184 WeakPolarHBondContact OE1-CB 3.3Å; E182-A184 PolarHBondContact OE1-N 2.98Å |
| 183 | P | 38.6 | Very low | 32.3 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | | -150.3 | 143.1 | 93.9 | 37.1 | -19.6 | 0 | 0 | 0 | 116.6 | | |
| 184 | A | 32.1 | Very low | 32.3 | Very low | 67 Ų | 67 | 136 Ų | 136 | 55% | 0.554 | 78% | 0.784 | S | S | * | * | | | trans | -53.9 | 151.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | E182 | E182-A184 WeakPolarHBondContact OE1-CB 3.3Å; E182-A184 PolarHBondContact OE1-N 2.98Å |
| 185 | R | 29.4 | Very low | 32.4 | Very low | 250 Ų | 250 | 136.9 Ų | 136.9 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | | | trans | -161.6 | 158.9 | 130.3 | -103.9 | 149.2 | -162.5 | -154.6 | 3.5 | 113.1 | | |
| 186 | R | 31.9 | Very low | 32.1 | Very low | 243 Ų | 243 | 139 Ų | 139 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | | | trans | -88.6 | 149.8 | -169.9 | -49.1 | 168.9 | 179.9 | 104.1 | -0.3 | 112 | | |
| 187 | A | 24.7 | Very low | 32.6 | Very low | 91 Ų | 91 | 143.8 Ų | 143.8 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | trans | -161.3 | 136.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 188 | S | 27.6 | Very low | 32.2 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | 23.2 | 111.1 | 152.2 | 56.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 189 | H | 28.5 | Very low | 32.1 | Very low | 181 Ų | 181 | 142.5 Ų | 142.5 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | -75.5 | 133.7 | 148.2 | 162.9 | -75 | 0 | 0 | 0 | 109.6 | | |
| 190 | N | 30.7 | Very low | 32 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | | | trans | -148.3 | 124.2 | 169.4 | -138.6 | 68.3 | 0 | 0 | 0 | 112.1 | | |
| 191 | E | 28.6 | Very low | 32 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | trans | 60 | 125.2 | 157.2 | -63.7 | 177.8 | 136.2 | 0 | 0 | 121.2 | | |
| 192 | L | 34.8 | Very low | 32.6 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | -78 | 153.8 | 159 | -62.8 | 166.3 | 0 | 0 | 0 | 109 | | |
| 193 | P | 41.6 | Very low | 32.9 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | | | | -145.1 | 139.6 | 91.3 | 30.4 | -11.6 | 0 | 0 | 0 | 116.4 | | |
| 194 | H | 33.1 | Very low | 32.9 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | | | trans | 50.6 | 133.5 | 140.9 | -59.6 | -60.8 | 0 | 0 | 0 | 123.2 | | |
| 195 | T | 31.5 | Very low | 33.7 | Very low | 119 Ų | 119 | 150 Ų | 150 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | | | trans | 73.9 | 107 | 148.6 | -48.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 196 | E | 29.9 | Very low | 34.6 | Very low | 179 Ų | 179 | 145.7 Ų | 145.7 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | | | | -165.9 | 145.1 | 113.3 | -98.2 | -60.1 | 103.4 | 0 | 0 | 108.6 | | |
| 197 | L | 41.5 | Very low | 36.1 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | | | trans | -95.5 | 109 | -174.3 | 177.4 | 67.4 | 0 | 0 | 0 | 111.2 | | |
| 198 | S | 29.5 | Very low | 37.5 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | | | trans | -147.1 | 100.9 | 169.6 | -166.3 | 0 | 0 | 0 | 0 | 115 | | |
| 199 | S | 32.7 | Very low | 38.4 | Very low | 94 Ų | 94 | 141.4 Ų | 141.4 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | | | trans | 69.1 | 134 | 142.9 | 76.2 | 0 | 0 | 0 | 0 | 121.8 | | |
| 200 | Q | 34.5 | Very low | 40.1 | Very low | 172 Ų | 172 | 139 Ų | 139 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | | | trans | 96.6 | 138.1 | 152.5 | -48.1 | -156.4 | 9.5 | 0 | 0 | 120.7 | | |
| 201 | T | 33.8 | Very low | 41.7 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | | | trans | 58 | 124.3 | 167.3 | 53.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 202 | P | 39.7 | Very low | 43.2 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 70% | 0.695 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -86.9 | 137.3 | 170.3 | 35.2 | -32.6 | 0 | 0 | 0 | 112.4 | | |
| 203 | Y | 37.3 | Very low | 44.1 | Very low | 210 Ų | 210 | 133.3 Ų | 133.3 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | | | trans | 51.3 | 85.4 | 163.5 | -48.9 | -65.1 | 0 | 0 | 0 | 118.2 | | |
| 204 | T | 37.2 | Very low | 44.5 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | | | trans | -106.7 | 118.6 | 145.5 | 59.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 205 | L | 49.3 | Very low | 45.3 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 70% | 0.702 | 70% | 0.703 | S | S | * | * | | | trans | -106.8 | 90.7 | 176.4 | -70.3 | 178.6 | 0 | 0 | 0 | 108.9 | F207 | L205-F207 HydrophobicContact CB-CD2 4.39Å; L205-F207 HydrophobicContact CB-CE2 4.04Å; L205-F207 HydrophobicContact CD1-CE2 4.44Å; L205-F207 PolarHBondContact O-N 2.73Å |
| 206 | N | 47.8 | Very low | 45.9 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 85% | 0.845 | 70% | 0.698 | S | S | * | * | | | trans | -98.8 | 77.8 | -176.6 | -169.9 | 35 | 0 | 0 | 0 | 110.6 | | |
| 207 | F | 63 | Low | 46.5 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 53% | 0.526 | 70% | 0.703 | S | S | . | * | | | trans | -77.4 | 137.1 | 173.8 | -66.9 | -72.8 | 0 | 0 | 0 | 111.1 | L205 E211 L212 | L205-F207 HydrophobicContact CB-CD2 4.39Å; L205-F207 HydrophobicContact CB-CE2 4.04Å; L205-F207 HydrophobicContact CD1-CE2 4.44Å; L205-F207 PolarHBondContact O-N 2.73Å; F207-E211 WeakPolarHBondContact CA-OE2 3.5Å; F207-L212 HydrophobicContact CB-CG 4.44Å |
| 208 | S | 54.5 | Low | 46.3 | Very low | 66 Ų | 66 | 129 Ų | 129 | 46% | 0.462 | 70% | 0.701 | S | S | . | * | | | trans | -69.6 | 152.1 | 169 | -174.1 | 0 | 0 | 0 | 0 | 111 | E210 E211 L212 | S208-E210 PolarHBondContact O-N 3.42Å; S208-E211 WeakPolarHBondContact CB-OE2 3.33Å; S208-E211 PolarHBondContact N-OE2 3.33Å; S208-E211 PolarHBondContact O-N 2.76Å; S208-L212 PolarHBondContact O-N 3.12Å |
| 209 | F | 46.5 | Very low | 47 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 74% | 0.741 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -55.5 | -34 | 173.3 | -176.4 | -97.9 | 0 | 0 | 0 | 112.1 | N213 | F209-N213 PolarHBondContact O-N 3.31Å |
| 210 | E | 65 | Low | 46.9 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 62% | 0.617 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -65.7 | -35.9 | 177 | -146.2 | 68.3 | -157.5 | 0 | 0 | 112.6 | S208 N213 | S208-E210 PolarHBondContact O-N 3.42Å; E210-N213 WeakPolarHBondContact O-CB 3.5Å; E210-N213 PolarHBondContact O-N 3.38Å |
| 211 | E | 64.5 | Low | 46.8 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 46% | 0.458 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -75.2 | -39.3 | -177 | -64.9 | 172.2 | 133.6 | 0 | 0 | 111.1 | F207 S208 N213 T214 | F207-E211 WeakPolarHBondContact CA-OE2 3.5Å; S208-E211 WeakPolarHBondContact CB-OE2 3.33Å; S208-E211 PolarHBondContact N-OE2 3.33Å; S208-E211 PolarHBondContact O-N 2.76Å; E211-N213 PolarHBondContact O-N 3.36Å; E211-T214 PolarHBondContact O-N 3.29Å; E211-T214 VanDerWaalsContact O-N 3.12Å; E211-T214 PolarHBondContact O-OG1 3.2Å |
| 212 | L | 59.7 | Low | 47.4 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 58% | 0.576 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -59.6 | -33.6 | 171.9 | -76.6 | 169.6 | 0 | 0 | 0 | 112.4 | F207 S208 T214 L215 | F207-L212 HydrophobicContact CB-CG 4.44Å; S208-L212 PolarHBondContact O-N 3.12Å; L212-T214 PolarHBondContact O-N 3.03Å; L212-L215 PolarHBondContact O-N 3.31Å |
| 213 | N | 53.1 | Low | 47.3 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 64% | 0.642 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -70 | -18.5 | 179.5 | -150.5 | 26.2 | 0 | 0 | 0 | 112.8 | F209 E210 E211 | F209-N213 PolarHBondContact O-N 3.31Å; E210-N213 WeakPolarHBondContact O-CB 3.5Å; E210-N213 PolarHBondContact O-N 3.38Å; E211-N213 PolarHBondContact O-N 3.36Å |
| 214 | T | 50.7 | Low | 47.5 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 71% | 0.712 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -91.7 | -0.4 | 179.3 | 58.5 | 0 | 0 | 0 | 0 | 115.1 | E211 L212 | E211-T214 PolarHBondContact O-N 3.29Å; E211-T214 VanDerWaalsContact O-N 3.12Å; E211-T214 PolarHBondContact O-OG1 3.2Å; L212-T214 PolarHBondContact O-N 3.03Å |
| 215 | L | 50 | Low | 47.2 | Very low | 144 Ų | 144 | 129.3 Ų | 129.3 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -100.9 | 10.1 | 177.4 | -66.7 | 173.6 | 0 | 0 | 0 | 113.5 | L212 | L212-L215 PolarHBondContact O-N 3.31Š|
| 216 | G | 43.4 | Very low | 46.6 | Very low | 60 Ų | 60 | 131 Ų | 131 | 62% | 0.619 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -101.6 | 93.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 217 | L | 43.1 | Very low | 46.1 | Very low | 180 Ų | 180 | 130.8 Ų | 130.8 | 94% | 0.942 | 71% | 0.712 | S | S | * | * | | | trans | 34.9 | 104.8 | 150.3 | -62.7 | 170 | 0 | 0 | 0 | 119.3 | | |
| 218 | D | 36.4 | Very low | 45 | Very low | 160 Ų | 160 | 130.1 Ų | 130.1 | 86% | 0.856 | 72% | 0.722 | S | S | * | * | | | trans | -127.7 | 141.3 | 157.7 | 171.6 | 96.8 | 0 | 0 | 0 | 107.4 | | |
| 219 | E | 44.7 | Very low | 44 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | | | cis | -151.8 | 140.8 | -22.6 | 160.8 | 56.2 | -122.4 | 0 | 0 | 105.2 | A221 | E219-A221 PolarHBondContact OE1-N 3.36Š|
| 220 | G | 31 | Very low | 43.8 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | | | trans | -135.2 | -9.7 | -154.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 221 | A | 32.4 | Very low | 42.1 | Very low | 82 Ų | 82 | 135.3 Ų | 135.3 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | | | trans | 62.1 | 153.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | E219 | E219-A221 PolarHBondContact OE1-N 3.36Š|
| 222 | P | 45.8 | Very low | 40.7 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | | | trans | -102 | 143.3 | -155.1 | 36.7 | -34.7 | 0 | 0 | 0 | 116.1 | | |
| 223 | R | 38 | Very low | 39.5 | Very low | 243 Ų | 243 | 138.8 Ų | 138.8 | 92% | 0.917 | 76% | 0.762 | S | S | * | * | | | trans | -139 | 130.3 | 148.3 | -77.9 | -161.9 | 164.8 | 93.2 | 4.1 | 110.8 | | |
| 224 | H | 42.3 | Very low | 39 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | | | trans | -87.3 | 123.4 | -178.3 | -44.3 | -87.4 | 0 | 0 | 0 | 111 | | |
| 225 | S | 30.3 | Very low | 38.6 | Very low | 107 Ų | 107 | 149.5 Ų | 149.5 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -159.9 | 121.5 | 162.7 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 226 | N | 36.4 | Very low | 38 | Very low | 171 Ų | 171 | 148 Ų | 148 | 91% | 0.914 | 78% | 0.777 | S | S | * | * | | | trans | -67.8 | 134 | -179 | -56.6 | -70 | 0 | 0 | 0 | 111.7 | | |
| 227 | L | 38 | Very low | 38 | Very low | 153 Ų | 153 | 150 Ų | 150 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | | | trans | -146.9 | 105.4 | 159.5 | -100.5 | 154.3 | 0 | 0 | 0 | 108.3 | W229 | L227-W229 PolarHBondContact O-N 3.01Å; L227-W229 VanDerWaalsContact O-N 3.16Å |
| 228 | S | 38.9 | Very low | 37.9 | Very low | 105 Ų | 105 | 145.7 Ų | 145.7 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | trans | -80.1 | 95 | -173.8 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | Q230 | S228-Q230 PolarHBondContact O-N 2.86Š|
| 229 | W | 33.9 | Very low | 38.9 | Very low | 223 Ų | 223 | 146.1 Ų | 146.1 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | | | trans | -69.2 | 78 | 165.6 | -74.4 | 93.1 | 0 | 0 | 0 | 110.4 | L227 S231 | L227-W229 PolarHBondContact O-N 3.01Å; L227-W229 VanDerWaalsContact O-N 3.16Å; W229-S231 PolarHBondContact O-N 2.76Å |
| 230 | Q | 42.4 | Very low | 39.3 | Very low | 173 Ų | 173 | 143.2 Ų | 143.2 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | | | trans | -73.3 | 57.1 | 163.7 | -74.3 | -166.3 | -8.6 | 0 | 0 | 110.7 | S228 Q232 | S228-Q230 PolarHBondContact O-N 2.86Å; Q230-Q232 PolarHBondContact O-N 3.26Å |
| 231 | S | 28.5 | Very low | 40.1 | Very low | 80 Ų | 80 | 143 Ų | 143 | 56% | 0.559 | 75% | 0.75 | S | S | * | * | | | trans | -69.9 | 79.1 | 159.8 | -62.2 | 0 | 0 | 0 | 0 | 107.4 | W229 T233 | W229-S231 PolarHBondContact O-N 2.76Å; S231-T233 PolarHBondContact O-N 3.08Å |
| 232 | Q | 36 | Very low | 41.4 | Very low | 173 Ų | 173 | 146.8 Ų | 146.8 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | | | trans | -70.2 | 81.6 | 177.2 | -174.3 | 166.1 | -13.7 | 0 | 0 | 109.4 | Q230 R234 | Q230-Q232 PolarHBondContact O-N 3.26Å; Q232-R234 PolarHBondContact O-N 2.86Å |
| 233 | T | 33.7 | Very low | 42.3 | Very low | 108 Ų | 108 | 149.3 Ų | 149.3 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | | | trans | -49.7 | 112.1 | 169.4 | -59 | 0 | 0 | 0 | 0 | 108 | S231 R235 | S231-T233 PolarHBondContact O-N 3.08Å; T233-R235 HydrophobicContact CG2-CG 4.09Å; T233-R235 PolarHBondContact O-N 2.76Å |
| 234 | R | 43.4 | Very low | 44.1 | Very low | 239 Ų | 239 | 140.2 Ų | 140.2 | 90% | 0.902 | 74% | 0.739 | S | S | * | * | | | trans | -70.2 | 71 | 169.9 | -66 | -175.5 | -175 | -93 | 3.6 | 108.8 | Q232 T236 | Q232-R234 PolarHBondContact O-N 2.86Å; R234-T236 PolarHBondContact O-N 2.88Å |
| 235 | R | 42.3 | Very low | 45.7 | Very low | 223 Ų | 223 | 139 Ų | 139 | 84% | 0.842 | 73% | 0.734 | S | S | * | * | | | trans | -56.8 | 131 | 159.1 | -77.6 | -167 | 172.2 | -166.9 | -1.7 | 106.5 | T233 | T233-R235 HydrophobicContact CG2-CG 4.09Å; T233-R235 PolarHBondContact O-N 2.76Å |
| 236 | T | 37.3 | Very low | 48.2 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | | | trans | -52.8 | 138.1 | 174 | 45.5 | 0 | 0 | 0 | 0 | 109.8 | R234 S238 | R234-T236 PolarHBondContact O-N 2.88Å; T236-S238 VanDerWaalsContact C-N 3.32Å; T236-S238 PolarHBondContact O-N 3.16Å |
| 237 | P | 43.4 | Very low | 50.3 | Low | 102 Ų | 102 | 132.4 Ų | 132.4 | 66% | 0.662 | 69% | 0.692 | S | S | * | * | | | trans | -68.9 | 92.7 | 173.2 | 28.9 | -33.2 | 0 | 0 | 0 | 108.9 | L239 | P237-L239 PolarHBondContact O-N 2.79Å; P237-L239 VanDerWaalsContact O-N 3.08Å |
| 238 | S | 40.5 | Very low | 52.5 | Low | 90 Ų | 90 | 128.4 Ų | 128.4 | 63% | 0.629 | 68% | 0.677 | S | S | * | * | | | trans | -66.3 | 107 | 173.4 | -61 | 0 | 0 | 0 | 0 | 108.6 | T236 S240 | T236-S238 VanDerWaalsContact C-N 3.32Å; T236-S238 PolarHBondContact O-N 3.16Å; S238-S240 PolarHBondContact O-N 3.18Å |
| 239 | L | 58.7 | Low | 55 | Low | 169 Ų | 169 | 126.8 Ų | 126.8 | 89% | 0.885 | 66% | 0.659 | S | S | * | * | | | trans | -72.1 | 35.5 | -179.9 | -63.4 | 176.5 | 0 | 0 | 0 | 113 | P237 | P237-L239 PolarHBondContact O-N 2.79Å; P237-L239 VanDerWaalsContact O-N 3.08Å |
| 240 | S | 52.8 | Low | 57.8 | Low | 94 Ų | 94 | 121.5 Ų | 121.5 | 66% | 0.657 | 64% | 0.644 | S | S | * | * | | | trans | -103.4 | 37.9 | -170.1 | 62.4 | 0 | 0 | 0 | 0 | 113.1 | S238 | S238-S240 PolarHBondContact O-N 3.18Š|
| 241 | S | 47.9 | Very low | 60.2 | Low | 67 Ų | 67 | 117.5 Ų | 117.5 | 47% | 0.469 | 63% | 0.627 | S | S | . | * | | | trans | 173.8 | 115.6 | 150.9 | -86 | 0 | 0 | 0 | 0 | 112 | N243 S244 | S241-N243 PolarHBondContact O-N 3.16Å; S241-N243 VanDerWaalsContact O-N 3.07Å; S241-S244 WeakPolarHBondContact CB-OG 3.46Å; S241-S244 PolarHBondContact O-N 2.84Å; S241-S244 VanDerWaalsContact O-N 3.13Å |
| 242 | L | 58.6 | Low | 63.3 | Low | 160 Ų | 160 | 116.5 Ų | 116.5 | 84% | 0.838 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -5.6 | 169.6 | -67.4 | 170.6 | 0 | 0 | 0 | 113.8 | | |
| 243 | N | 64.8 | Low | 66.1 | Low | 158 Ų | 158 | 114.5 Ų | 114.5 | 85% | 0.845 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 9.1 | 178.1 | -165.3 | 54.7 | 0 | 0 | 0 | 112.8 | S241 | S241-N243 PolarHBondContact O-N 3.16Å; S241-N243 VanDerWaalsContact O-N 3.07Å |
| 244 | S | 75.7 | Confident | 69.1 | Low | 52 Ų | 52 | 114.6 Ų | 114.6 | 36% | 0.364 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -70.2 | 144.5 | 172.5 | -76.4 | 0 | 0 | 0 | 0 | 111.1 | S241 D246 S247 S248 | S241-S244 WeakPolarHBondContact CB-OG 3.46Å; S241-S244 PolarHBondContact O-N 2.84Å; S241-S244 VanDerWaalsContact O-N 3.13Å; S244-D246 VanDerWaalsContact C-N 3.26Å; S244-D246 PolarHBondContact O-N 3.5Å; S244-S247 WeakPolarHBondContact O-CA 3.49Å; S244-S247 WeakPolarHBondContact O-CB 3.36Å; S244-S247 PolarHBondContact O-N 3.07Å; S244-S248 PolarHBondContact O-N 2.98Å |
| 245 | Q | 77 | Confident | 71.6 | Confident | 159 Ų | 159 | 106.3 Ų | 106.3 | 74% | 0.743 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.3 | -37.2 | 179 | -173.7 | 169.7 | -28 | 0 | 0 | 112.2 | S248 I249 | Q245-S248 WeakPolarHBondContact O-CB 3.46Å; Q245-S248 PolarHBondContact O-N 3.17Å; Q245-I249 HydrophobicContact CG-CD1 4.47Å; Q245-I249 WeakPolarHBondContact O-CG1 3.22Å; Q245-I249 PolarHBondContact O-N 2.88Å; Q245-I249 VanDerWaalsContact O-N 3.08Å |
| 246 | D | 81.9 | Confident | 74.1 | Confident | 116 Ų | 116 | 100.5 Ų | 100.5 | 62% | 0.62 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.5 | -37.6 | 173.3 | -54.9 | -80.2 | 0 | 0 | 0 | 112.6 | S244 S248 I249 E250 | S244-D246 VanDerWaalsContact C-N 3.26Å; S244-D246 PolarHBondContact O-N 3.5Å; D246-S248 VanDerWaalsContact C-N 3.35Å; D246-S248 PolarHBondContact O-N 3.29Å; D246-I249 WeakPolarHBondContact O-CB 3.33Å; D246-I249 PolarHBondContact O-N 3.03Å; D246-I249 VanDerWaalsContact O-N 3.17Å; D246-E250 WeakPolarHBondContact O-CG 3.46Å; D246-E250 PolarHBondContact O-N 3.13Å |
| 247 | S | 81.4 | Confident | 77 | Confident | 24 Ų | 24 | 101.5 Ų | 101.5 | 17% | 0.168 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -65.6 | -38.4 | 175.2 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | S244 I249 E250 I251 | S244-S247 WeakPolarHBondContact O-CA 3.49Å; S244-S247 WeakPolarHBondContact O-CB 3.36Å; S244-S247 PolarHBondContact O-N 3.07Å; S247-I249 VanDerWaalsContact C-N 3.32Å; S247-I249 PolarHBondContact O-N 3.25Å; S247-E250 PolarHBondContact O-N 3.32Å; S247-I251 WeakPolarHBondContact O-CB 3.47Å; S247-I251 WeakPolarHBondContact O-CD1 3.39Å; S247-I251 WeakPolarHBondContact O-CG1 3.35Å; S247-I251 PolarHBondContact O-N 2.84Å |
| 248 | S | 83.8 | Confident | 79.6 | Confident | 69 Ų | 69 | 100.7 Ų | 100.7 | 48% | 0.483 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.2 | -39.1 | 171.5 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | S244 Q245 D246 S252 | S244-S248 PolarHBondContact O-N 2.98Å; Q245-S248 WeakPolarHBondContact O-CB 3.46Å; Q245-S248 PolarHBondContact O-N 3.17Å; D246-S248 VanDerWaalsContact C-N 3.35Å; D246-S248 PolarHBondContact O-N 3.29Å; S248-S252 WeakPolarHBondContact O-CB 3.42Å; S248-S252 PolarHBondContact O-N 2.98Å; S248-S252 PolarHBondContact O-OG 3.44Å |
| 249 | I | 91.9 | Very high | 82.3 | Confident | 72 Ų | 72 | 100.6 Ų | 100.6 | 37% | 0.369 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68 | -38.6 | 175.4 | -67.8 | 164.5 | 0 | 0 | 0 | 111.3 | Q245 D246 S247 K253 | Q245-I249 HydrophobicContact CG-CD1 4.47Å; Q245-I249 WeakPolarHBondContact O-CG1 3.22Å; Q245-I249 PolarHBondContact O-N 2.88Å; Q245-I249 VanDerWaalsContact O-N 3.08Å; D246-I249 WeakPolarHBondContact O-CB 3.33Å; D246-I249 PolarHBondContact O-N 3.03Å; D246-I249 VanDerWaalsContact O-N 3.17Å; S247-I249 VanDerWaalsContact C-N 3.32Å; S247-I249 PolarHBondContact O-N 3.25Å; I249-K253 HydrophobicContact CG2-CD 4.13Å; I249-K253 VanDerWaalsContact CG2-CE 3.49Å; I249-K253 VanDerWaalsContact O-CG 3.26Å; I249-K253 WeakPolarHBondContact O-CG 3.45Å; I249-K253 PolarHBondContact O-N 2.85Å |
| 250 | E | 92.9 | Very high | 84.1 | Confident | 111 Ų | 111 | 94.7 Ų | 94.7 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.3 | -41.1 | 175 | -72.3 | -173.9 | 159.8 | 0 | 0 | 112.6 | D246 S247 S252 K253 L254 | D246-E250 WeakPolarHBondContact O-CG 3.46Å; D246-E250 PolarHBondContact O-N 3.13Å; S247-E250 PolarHBondContact O-N 3.32Å; E250-S252 VanDerWaalsContact C-N 3.32Å; E250-S252 PolarHBondContact O-N 2.95Å; E250-K253 PolarHBondContact O-N 3.08Å; E250-L254 WeakPolarHBondContact O-CB 3.42Å; E250-L254 PolarHBondContact O-N 3.3Å |
| 251 | I | 91.3 | Very high | 86.2 | Confident | 89 Ų | 89 | 96 Ų | 96 | 46% | 0.456 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 173.5 | -70.3 | 162.9 | 0 | 0 | 0 | 110.9 | S247 L254 T255 | S247-I251 WeakPolarHBondContact O-CB 3.47Å; S247-I251 WeakPolarHBondContact O-CD1 3.39Å; S247-I251 WeakPolarHBondContact O-CG1 3.35Å; S247-I251 PolarHBondContact O-N 2.84Å; I251-L254 PolarHBondContact O-N 2.82Å; I251-T255 WeakPolarHBondContact O-CB 3.49Å; I251-T255 PolarHBondContact O-N 3.46Å; I251-T255 PolarHBondContact O-OG1 2.94Å |
| 252 | S | 94.2 | Very high | 88.6 | Confident | 60 Ų | 60 | 100.6 Ų | 100.6 | 42% | 0.42 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.1 | -52.4 | 174 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | S248 E250 L254 T255 D256 | S248-S252 WeakPolarHBondContact O-CB 3.42Å; S248-S252 PolarHBondContact O-N 2.98Å; S248-S252 PolarHBondContact O-OG 3.44Å; E250-S252 VanDerWaalsContact C-N 3.32Å; E250-S252 PolarHBondContact O-N 2.95Å; S252-L254 VanDerWaalsContact C-N 3.29Å; S252-L254 PolarHBondContact O-N 3.28Å; S252-T255 CarbonylContact O-C 3.6Å; S252-T255 WeakPolarHBondContact O-CA 3.41Å; S252-T255 WeakPolarHBondContact O-CB 3.26Å; S252-T255 PolarHBondContact O-N 3.46Å; S252-D256 VanDerWaalsContact O-CG 3.32Å; S252-D256 PolarHBondContact O-N 3.06Å |
| 253 | K | 95.5 | Very high | 90.5 | Very high | 131 Ų | 131 | 100.1 Ų | 100.1 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.4 | -37.3 | 176.8 | -72.5 | 165.2 | -178.4 | 169.2 | 0 | 113.3 | I249 E250 K257 | I249-K253 HydrophobicContact CG2-CD 4.13Å; I249-K253 VanDerWaalsContact CG2-CE 3.49Å; I249-K253 VanDerWaalsContact O-CG 3.26Å; I249-K253 WeakPolarHBondContact O-CG 3.45Å; I249-K253 PolarHBondContact O-N 2.85Å; E250-K253 PolarHBondContact O-N 3.08Å; K253-K257 WeakPolarHBondContact O-CB 3.36Å; K253-K257 PolarHBondContact O-N 2.78Å |
| 254 | L | 95.3 | Very high | 92.1 | Very high | 110 Ų | 110 | 96.5 Ų | 96.5 | 58% | 0.576 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.7 | -41.4 | 176.1 | 179.3 | 60 | 0 | 0 | 0 | 110.9 | E250 I251 S252 K257 V258 | E250-L254 WeakPolarHBondContact O-CB 3.42Å; E250-L254 PolarHBondContact O-N 3.3Å; I251-L254 PolarHBondContact O-N 2.82Å; S252-L254 VanDerWaalsContact C-N 3.29Å; S252-L254 PolarHBondContact O-N 3.28Å; L254-K257 PolarHBondContact O-N 2.96Å; L254-V258 HydrophobicContact CD1-CG2 4.45Å; L254-V258 WeakPolarHBondContact O-CG2 3.4Å; L254-V258 PolarHBondContact O-N 2.94Å |
| 255 | T | 95.5 | Very high | 93.1 | Very high | 65 Ų | 65 | 96.7 Ų | 96.7 | 40% | 0.399 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -44.8 | 176.2 | -61 | 0 | 0 | 0 | 0 | 111 | I251 S252 K257 V258 Q259 | I251-T255 WeakPolarHBondContact O-CB 3.49Å; I251-T255 PolarHBondContact O-N 3.46Å; I251-T255 PolarHBondContact O-OG1 2.94Å; S252-T255 CarbonylContact O-C 3.6Å; S252-T255 WeakPolarHBondContact O-CA 3.41Å; S252-T255 WeakPolarHBondContact O-CB 3.26Å; S252-T255 PolarHBondContact O-N 3.46Å; T255-K257 VanDerWaalsContact C-N 3.33Å; T255-K257 PolarHBondContact O-N 3.46Å; T255-V258 PolarHBondContact O-N 3.32Å; T255-Q259 WeakPolarHBondContact O-CB 3.37Å; T255-Q259 WeakPolarHBondContact O-CG 3.37Å; T255-Q259 PolarHBondContact O-N 3.2Å |
| 256 | D | 96.7 | Very high | 94.1 | Very high | 100 Ų | 100 | 95.2 Ų | 95.2 | 54% | 0.535 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 174.3 | -67.4 | -30.1 | 0 | 0 | 0 | 111.4 | S252 Q259 A260 | S252-D256 VanDerWaalsContact O-CG 3.32Å; S252-D256 PolarHBondContact O-N 3.06Å; D256-Q259 PolarHBondContact O-N 2.85Å; D256-A260 WeakPolarHBondContact O-CB 3.34Å; D256-A260 PolarHBondContact O-N 2.83Å |
| 257 | K | 97.6 | Very high | 94.8 | Very high | 134 Ų | 134 | 96.2 Ų | 96.2 | 58% | 0.583 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.4 | -47.5 | 176.2 | -174.2 | -175.5 | 173.2 | -169.1 | 0 | 111.6 | K253 L254 T255 Q259 A260 E261 | K253-K257 WeakPolarHBondContact O-CB 3.36Å; K253-K257 PolarHBondContact O-N 2.78Å; L254-K257 PolarHBondContact O-N 2.96Å; T255-K257 VanDerWaalsContact C-N 3.33Å; T255-K257 PolarHBondContact O-N 3.46Å; K257-Q259 VanDerWaalsContact C-N 3.32Å; K257-Q259 PolarHBondContact O-N 3.36Å; K257-A260 PolarHBondContact O-N 3.38Å; K257-E261 WeakPolarHBondContact O-CB 3.36Å; K257-E261 PolarHBondContact O-N 2.88Å |
| 258 | V | 97.9 | Very high | 95.5 | Very high | 84 Ų | 84 | 100.5 Ų | 100.5 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -36.5 | 178.4 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L254 T255 Y262 | L254-V258 HydrophobicContact CD1-CG2 4.45Å; L254-V258 WeakPolarHBondContact O-CG2 3.4Å; L254-V258 PolarHBondContact O-N 2.94Å; T255-V258 PolarHBondContact O-N 3.32Å; V258-Y262 WeakPolarHBondContact O-CB 3.47Å; V258-Y262 PolarHBondContact O-N 2.93Å |
| 259 | Q | 97.6 | Very high | 96.1 | Very high | 88 Ų | 88 | 103.2 Ų | 103.2 | 41% | 0.411 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.1 | -37.7 | 172.9 | -74.1 | -173.8 | 35.3 | 0 | 0 | 112.8 | T255 D256 K257 R263 | T255-Q259 WeakPolarHBondContact O-CB 3.37Å; T255-Q259 WeakPolarHBondContact O-CG 3.37Å; T255-Q259 PolarHBondContact O-N 3.2Å; D256-Q259 PolarHBondContact O-N 2.85Å; K257-Q259 VanDerWaalsContact C-N 3.32Å; K257-Q259 PolarHBondContact O-N 3.36Å; Q259-R263 WeakPolarHBondContact O-CB 3.38Å; Q259-R263 VanDerWaalsContact O-CG 3.23Å; Q259-R263 WeakPolarHBondContact O-CG 3.42Å; Q259-R263 PolarHBondContact O-N 2.92Å |
| 260 | A | 96.7 | Very high | 96.2 | Very high | 45 Ų | 45 | 104 Ų | 104 | 37% | 0.372 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -49.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D256 K257 Y262 R263 D264 | D256-A260 WeakPolarHBondContact O-CB 3.34Å; D256-A260 PolarHBondContact O-N 2.83Å; K257-A260 PolarHBondContact O-N 3.38Å; A260-Y262 VanDerWaalsContact C-N 3.32Å; A260-Y262 PolarHBondContact O-N 3.04Å; A260-R263 CarbonylContact O-C 3.38Å; A260-R263 PolarHBondContact O-N 3.35Å; A260-D264 WeakPolarHBondContact O-CB 3.33Å; A260-D264 PolarHBondContact O-N 3.46Å; A260-D264 VanDerWaalsContact O-OD1 3.07Å |
| 261 | E | 96.9 | Very high | 96.3 | Very high | 121 Ų | 121 | 101 Ų | 101 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.5 | -41.8 | 178.1 | -167 | 166.2 | 168.3 | 0 | 0 | 111.9 | K257 D264 A265 | K257-E261 WeakPolarHBondContact O-CB 3.36Å; K257-E261 PolarHBondContact O-N 2.88Å; E261-D264 PolarHBondContact O-N 3.36Å; E261-A265 WeakPolarHBondContact O-CB 3.23Å; E261-A265 PolarHBondContact O-N 2.69Å |
| 262 | Y | 97.9 | Very high | 96.5 | Very high | 164 Ų | 164 | 101.6 Ų | 101.6 | 64% | 0.643 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -44.6 | 171.8 | 178.1 | -96.1 | 0 | 0 | 0 | 113 | V258 A260 D264 Y266 | V258-Y262 WeakPolarHBondContact O-CB 3.47Å; V258-Y262 PolarHBondContact O-N 2.93Å; A260-Y262 VanDerWaalsContact C-N 3.32Å; A260-Y262 PolarHBondContact O-N 3.04Å; Y262-D264 VanDerWaalsContact C-N 3.27Å; Y262-D264 PolarHBondContact O-N 2.81Å; Y262-Y266 VanDerWaalsContact O-CB 3.26Å; Y262-Y266 WeakPolarHBondContact O-CB 3.39Å; Y262-Y266 PolarHBondContact O-N 3.07Å |
| 263 | R | 97.6 | Very high | 96.2 | Very high | 150 Ų | 150 | 102.9 Ų | 102.9 | 57% | 0.566 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.9 | -32.4 | 176.4 | -75.3 | 171.2 | -174.8 | 162.7 | 8.3 | 112.2 | Q259 A260 R267 | Q259-R263 WeakPolarHBondContact O-CB 3.38Å; Q259-R263 VanDerWaalsContact O-CG 3.23Å; Q259-R263 WeakPolarHBondContact O-CG 3.42Å; Q259-R263 PolarHBondContact O-N 2.92Å; A260-R263 CarbonylContact O-C 3.38Å; A260-R263 PolarHBondContact O-N 3.35Å; R263-R267 VanDerWaalsContact C-NH1 3.29Å; R263-R267 WeakPolarHBondContact O-CG 3.39Å; R263-R267 PolarHBondContact O-N 2.82Å; R263-R267 VanDerWaalsContact O-N 3.09Å; R263-R267 PolarHBondContact O-NH1 3.09Å |
| 264 | D | 97.8 | Very high | 95.7 | Very high | 82 Ų | 82 | 100.3 Ų | 100.3 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -75.5 | -48.9 | -179.5 | -78.6 | 35 | 0 | 0 | 0 | 110.4 | A260 E261 Y262 Y266 R267 E268 | A260-D264 WeakPolarHBondContact O-CB 3.33Å; A260-D264 PolarHBondContact O-N 3.46Å; A260-D264 VanDerWaalsContact O-OD1 3.07Å; E261-D264 PolarHBondContact O-N 3.36Å; Y262-D264 VanDerWaalsContact C-N 3.27Å; Y262-D264 PolarHBondContact O-N 2.81Å; D264-Y266 VanDerWaalsContact C-N 3.27Å; D264-Y266 PolarHBondContact O-N 3.01Å; D264-R267 PolarHBondContact O-N 2.97Å; D264-R267 VanDerWaalsContact O-N 3.15Å; D264-R267 IonicContact OD1-CZ 2.78Å; D264-R267 IonicContact OD1-NH1 2.99Å; D264-R267 PolarHBondContact OD1-NH1 3.47Å; D264-R267 IonicContact OD1-NH2 2.69Å; D264-R267 PolarHBondContact OD1-NH2 2.87Å; D264-R267 IonicContact OD2-NH2 3.17Å; D264-R267 PolarHBondContact OD2-NH2 2.78Å; D264-E268 PolarHBondContact O-N 3.33Å |
| 265 | A | 97.4 | Very high | 94.8 | Very high | 56 Ų | 56 | 101.8 Ų | 101.8 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.6 | -36.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E261 E268 Y269 | E261-A265 WeakPolarHBondContact O-CB 3.23Å; E261-A265 PolarHBondContact O-N 2.69Å; A265-E268 PolarHBondContact O-N 3.32Å; A265-Y269 WeakPolarHBondContact O-CB 3.43Å; A265-Y269 PolarHBondContact O-N 2.9Å |
| 266 | Y | 97.8 | Very high | 93.7 | Very high | 128 Ų | 128 | 104.9 Ų | 104.9 | 50% | 0.502 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.8 | -37.4 | 175.8 | -172.3 | -109.5 | 0 | 0 | 0 | 112.9 | Y262 D264 I270 | Y262-Y266 VanDerWaalsContact O-CB 3.26Å; Y262-Y266 WeakPolarHBondContact O-CB 3.39Å; Y262-Y266 PolarHBondContact O-N 3.07Å; D264-Y266 VanDerWaalsContact C-N 3.27Å; D264-Y266 PolarHBondContact O-N 3.01Å; Y266-I270 HydrophobicContact CD1-CD1 3.94Å; Y266-I270 HydrophobicContact CE1-CD1 3.53Å; Y266-I270 HydrophobicContact CE1-CG1 4.5Å; Y266-I270 WeakPolarHBondContact O-CG1 3.26Å; Y266-I270 PolarHBondContact O-N 3.42Å; Y266-I270 VanDerWaalsContact O-N 3.09Å |
| 267 | R | 97.1 | Very high | 92.1 | Very high | 137 Ų | 137 | 108.9 Ų | 108.9 | 52% | 0.517 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 170.9 | -73.5 | -167.5 | -44.5 | -76.4 | 10.3 | 111.5 | R263 D264 I270 A271 | R263-R267 VanDerWaalsContact C-NH1 3.29Å; R263-R267 WeakPolarHBondContact O-CG 3.39Å; R263-R267 PolarHBondContact O-N 2.82Å; R263-R267 VanDerWaalsContact O-N 3.09Å; R263-R267 PolarHBondContact O-NH1 3.09Å; D264-R267 PolarHBondContact O-N 2.97Å; D264-R267 VanDerWaalsContact O-N 3.15Å; D264-R267 IonicContact OD1-CZ 2.78Å; D264-R267 IonicContact OD1-NH1 2.99Å; D264-R267 PolarHBondContact OD1-NH1 3.47Å; D264-R267 IonicContact OD1-NH2 2.69Å; D264-R267 PolarHBondContact OD1-NH2 2.87Å; D264-R267 IonicContact OD2-NH2 3.17Å; D264-R267 PolarHBondContact OD2-NH2 2.78Å; R267-I270 PolarHBondContact O-N 3.41Å; R267-A271 PolarHBondContact O-N 3.15Å |
| 268 | E | 96 | Very high | 90.3 | Very high | 114 Ų | 114 | 105.1 Ų | 105.1 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 176.4 | -162 | -169.6 | 150.8 | 0 | 0 | 111.3 | D264 A265 I270 A271 Q272 | D264-E268 PolarHBondContact O-N 3.33Å; A265-E268 PolarHBondContact O-N 3.32Å; E268-I270 VanDerWaalsContact C-N 3.32Å; E268-I270 PolarHBondContact O-N 3.09Å; E268-A271 CarbonylContact O-C 3.43Å; E268-A271 WeakPolarHBondContact O-CA 3.4Å; E268-A271 WeakPolarHBondContact O-CB 3.39Å; E268-A271 PolarHBondContact O-N 3.36Å; E268-Q272 HydrophobicContact CG-CG 4.46Å; E268-Q272 WeakPolarHBondContact O-CG 3.45Å; E268-Q272 PolarHBondContact O-N 2.99Å; E268-Q272 PolarHBondContact OE1-NE2 2.94Å |
| 269 | Y | 96.2 | Very high | 87.9 | Confident | 126 Ų | 126 | 103.2 Ų | 103.2 | 49% | 0.494 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -55.8 | -44.8 | 174.4 | 173.5 | -102.3 | 0 | 0 | 0 | 112.1 | A265 A271 Q272 M273 | A265-Y269 WeakPolarHBondContact O-CB 3.43Å; A265-Y269 PolarHBondContact O-N 2.9Å; Y269-A271 VanDerWaalsContact C-N 3.34Å; Y269-A271 PolarHBondContact O-N 2.86Å; Y269-Q272 PolarHBondContact O-N 2.87Å; Y269-M273 HydrophobicContact CD1-CG 4.43Å; Y269-M273 HydrophobicContact CD2-CG 4.13Å; Y269-M273 HydrophobicContact CE1-CG 4Å; Y269-M273 HydrophobicContact CE2-CG 3.67Å; Y269-M273 HydrophobicContact CE2-SD 4.02Å; Y269-M273 HydrophobicContact CG-CG 4.49Å; Y269-M273 WeakPolarHBondContact O-CB 3.46Å; Y269-M273 WeakPolarHBondContact O-CG 3.37Å; Y269-M273 PolarHBondContact O-N 3.34Å |
| 270 | I | 95.4 | Very high | 85.8 | Confident | 89 Ų | 89 | 106.2 Ų | 106.2 | 46% | 0.456 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.1 | -42.5 | 174.1 | -70.5 | 169 | 0 | 0 | 0 | 111.1 | Y266 R267 E268 M273 S274 | Y266-I270 HydrophobicContact CD1-CD1 3.94Å; Y266-I270 HydrophobicContact CE1-CD1 3.53Å; Y266-I270 HydrophobicContact CE1-CG1 4.5Å; Y266-I270 WeakPolarHBondContact O-CG1 3.26Å; Y266-I270 PolarHBondContact O-N 3.42Å; Y266-I270 VanDerWaalsContact O-N 3.09Å; R267-I270 PolarHBondContact O-N 3.41Å; E268-I270 VanDerWaalsContact C-N 3.32Å; E268-I270 PolarHBondContact O-N 3.09Å; I270-M273 PolarHBondContact O-N 2.9Å; I270-S274 VanDerWaalsContact O-CB 3.23Å; I270-S274 WeakPolarHBondContact O-CB 3.48Å; I270-S274 PolarHBondContact O-N 3.46Å |
| 271 | A | 94.8 | Very high | 83.6 | Confident | 49 Ų | 49 | 107.2 Ų | 107.2 | 41% | 0.405 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.1 | -34.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R267 E268 Y269 Q275 | R267-A271 PolarHBondContact O-N 3.15Å; E268-A271 CarbonylContact O-C 3.43Å; E268-A271 WeakPolarHBondContact O-CA 3.4Å; E268-A271 WeakPolarHBondContact O-CB 3.39Å; E268-A271 PolarHBondContact O-N 3.36Å; Y269-A271 VanDerWaalsContact C-N 3.34Å; Y269-A271 PolarHBondContact O-N 2.86Å; A271-Q275 WeakPolarHBondContact O-CG 3.41Å; A271-Q275 PolarHBondContact O-N 3.39Å; A271-Q275 PolarHBondContact O-NE2 3.05Å |
| 272 | Q | 93.8 | Very high | 81.2 | Confident | 101 Ų | 101 | 107.3 Ų | 107.3 | 47% | 0.472 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.6 | -47.6 | 173.8 | -69.1 | 178.7 | 13.7 | 0 | 0 | 110.9 | E268 Y269 S274 Q275 L276 | E268-Q272 HydrophobicContact CG-CG 4.46Å; E268-Q272 WeakPolarHBondContact O-CG 3.45Å; E268-Q272 PolarHBondContact O-N 2.99Å; E268-Q272 PolarHBondContact OE1-NE2 2.94Å; Y269-Q272 PolarHBondContact O-N 2.87Å; Q272-S274 PolarHBondContact O-N 3.31Å; Q272-Q275 PolarHBondContact O-N 3.46Å; Q272-L276 PolarHBondContact O-N 3.18Å |
| 273 | M | 87.8 | Confident | 78.9 | Confident | 86 Ų | 86 | 106 Ų | 106 | 42% | 0.424 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.4 | -36.7 | 178.2 | -67.1 | -57.8 | -65.3 | 0 | 0 | 112.5 | Y269 I270 Q275 L276 E277 | Y269-M273 HydrophobicContact CD1-CG 4.43Å; Y269-M273 HydrophobicContact CD2-CG 4.13Å; Y269-M273 HydrophobicContact CE1-CG 4Å; Y269-M273 HydrophobicContact CE2-CG 3.67Å; Y269-M273 HydrophobicContact CE2-SD 4.02Å; Y269-M273 HydrophobicContact CG-CG 4.49Å; Y269-M273 WeakPolarHBondContact O-CB 3.46Å; Y269-M273 WeakPolarHBondContact O-CG 3.37Å; Y269-M273 PolarHBondContact O-N 3.34Å; I270-M273 PolarHBondContact O-N 2.9Å; M273-Q275 VanDerWaalsContact C-N 3.26Å; M273-Q275 PolarHBondContact O-N 3.02Å; M273-L276 HydrophobicContact CE-CD2 4.42Å; M273-L276 WeakPolarHBondContact O-CB 3.32Å; M273-L276 PolarHBondContact O-N 3.34Å; M273-E277 PolarHBondContact O-N 3.44Å; M273-E277 VanDerWaalsContact O-N 3.13Å |
| 274 | S | 86.2 | Confident | 76.3 | Confident | 78 Ų | 78 | 105.6 Ų | 105.6 | 55% | 0.545 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.7 | -28.9 | 174.6 | -179 | 0 | 0 | 0 | 0 | 113.1 | I270 Q272 G278 | I270-S274 VanDerWaalsContact O-CB 3.23Å; I270-S274 WeakPolarHBondContact O-CB 3.48Å; I270-S274 PolarHBondContact O-N 3.46Å; Q272-S274 PolarHBondContact O-N 3.31Å; S274-G278 PolarHBondContact O-N 2.8Å |
| 275 | Q | 76.7 | Confident | 74.2 | Confident | 140 Ų | 140 | 109.4 Ų | 109.4 | 65% | 0.654 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -76.8 | -26.4 | 172.4 | -73.4 | 168.4 | 92.7 | 0 | 0 | 112.6 | A271 Q272 M273 G278 | A271-Q275 WeakPolarHBondContact O-CG 3.41Å; A271-Q275 PolarHBondContact O-N 3.39Å; A271-Q275 PolarHBondContact O-NE2 3.05Å; Q272-Q275 PolarHBondContact O-N 3.46Å; M273-Q275 VanDerWaalsContact C-N 3.26Å; M273-Q275 PolarHBondContact O-N 3.02Å; Q275-G278 CarbonylContact O-C 3.6Å; Q275-G278 PolarHBondContact O-N 3.24Å |
| 276 | L | 71.9 | Confident | 71.4 | Confident | 130 Ų | 130 | 112.7 Ų | 112.7 | 68% | 0.681 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -76.2 | -33.3 | 177.3 | -170.9 | 60.9 | 0 | 0 | 0 | 112.4 | Q272 M273 | Q272-L276 PolarHBondContact O-N 3.18Å; M273-L276 HydrophobicContact CE-CD2 4.42Å; M273-L276 WeakPolarHBondContact O-CB 3.32Å; M273-L276 PolarHBondContact O-N 3.34Å |
| 277 | E | 62.4 | Low | 68.6 | Low | 184 Ų | 184 | 110 Ų | 110 | 86% | 0.86 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72.8 | -31.9 | 169 | -166.4 | 167.8 | -161.7 | 0 | 0 | 111.6 | M273 G279 | M273-E277 PolarHBondContact O-N 3.44Å; M273-E277 VanDerWaalsContact O-N 3.13Å; E277-G279 PolarHBondContact O-N 3.29Å |
| 278 | G | 61 | Low | 65.9 | Low | 55 Ų | 55 | 114.6 Ų | 114.6 | 57% | 0.567 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -77.1 | 55 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S274 Q275 | S274-G278 PolarHBondContact O-N 2.8Å; Q275-G278 CarbonylContact O-C 3.6Å; Q275-G278 PolarHBondContact O-N 3.24Å |
| 279 | G | 47.3 | Very low | 63.4 | Low | 45 Ų | 45 | 113.7 Ų | 113.7 | 46% | 0.464 | 68% | 0.678 | S | S | . | * | | | trans | -52.3 | 151.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | E277 G281 | E277-G279 PolarHBondContact O-N 3.29Å; G279-G281 PolarHBondContact O-N 2.81Å |
| 280 | P | 52.3 | Low | 60.5 | Low | 150 Ų | 150 | 113.1 Ų | 113.1 | 97% | 0.974 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -72.8 | 83.1 | -165.7 | 29.8 | -37.1 | 0 | 0 | 0 | 113.7 | | |
| 281 | G | 51.7 | Low | 58.4 | Low | 66 Ų | 66 | 114.1 Ų | 114.1 | 68% | 0.68 | 71% | 0.705 | S | S | * | * | | | trans | -142.1 | -10.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116 | G279 T283 | G279-G281 PolarHBondContact O-N 2.81Å; G281-T283 PolarHBondContact O-N 2.88Å |
| 282 | S | 46.9 | Very low | 55.2 | Low | 123 Ų | 123 | 120.5 Ų | 120.5 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | | | trans | -97.2 | 53.6 | -171.4 | -153.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 283 | T | 48.7 | Very low | 52.2 | Low | 138 Ų | 138 | 119.7 Ų | 119.7 | 85% | 0.847 | 73% | 0.731 | S | S | * | * | | | trans | -131.7 | 56.7 | 171.7 | -44.7 | 0 | 0 | 0 | 0 | 111.4 | G281 | G281-T283 PolarHBondContact O-N 2.88Š|
| 284 | T | 43.1 | Very low | 49.6 | Very low | 141 Ų | 141 | 121.2 Ų | 121.2 | 87% | 0.865 | 75% | 0.745 | S | S | * | * | | | trans | -134 | 156.3 | 160.1 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 285 | I | 53.5 | Low | 47.1 | Very low | 162 Ų | 162 | 126.9 Ų | 126.9 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | | | trans | -95.9 | 135.9 | -161.9 | -160.4 | 168.4 | 0 | 0 | 0 | 112.4 | | |
| 286 | S | 39.7 | Very low | 45.1 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | | | trans | -161.5 | 127 | 160.6 | -84.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 287 | G | 39.2 | Very low | 43.8 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | -114 | -169.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 288 | R | 38.6 | Very low | 42.3 | Very low | 233 Ų | 233 | 127.7 Ų | 127.7 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | | | trans | 72.9 | 79 | 173.5 | -70.6 | 176.7 | 147.5 | -92.9 | 1.3 | 118.2 | | |
| 289 | S | 44.1 | Very low | 40.9 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | | | | 65.2 | 131.1 | 110.6 | 67 | 0 | 0 | 0 | 0 | 123.1 | | |
| 290 | S | 36.7 | Very low | 40.2 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | 74.7 | 166.4 | 140.7 | -90.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 291 | P | 49.8 | Very low | 39.3 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | | | cis | -137.2 | 178.1 | -16.7 | 34.8 | -16 | 0 | 0 | 0 | 116.2 | | |
| 292 | H | 28.3 | Very low | 38.5 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | | | trans | 71.4 | 150.5 | 156.3 | -120.3 | 43.4 | 0 | 0 | 0 | 116.6 | | |
| 293 | S | 31.3 | Very low | 37.8 | Very low | 84 Ų | 84 | 136.5 Ų | 136.5 | 59% | 0.587 | 80% | 0.797 | S | S | * | * | | | cis | -166.7 | 169.6 | -8.6 | -133.4 | 0 | 0 | 0 | 0 | 107.1 | | |
| 294 | T | 31.5 | Very low | 37 | Very low | 117 Ų | 117 | 134 Ų | 134 | 72% | 0.718 | 80% | 0.798 | S | S | * | * | | | cis | -155.4 | 171.5 | -3.7 | -160 | 0 | 0 | 0 | 0 | 105.4 | | |
| 295 | Y | 34.7 | Very low | 36.4 | Very low | 197 Ų | 197 | 133.1 Ų | 133.1 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | cis | -141.2 | 140.9 | 32.5 | 33.7 | -97.7 | 0 | 0 | 0 | 108.7 | | |
| 296 | Y | 35.6 | Very low | 35.4 | Very low | 222 Ų | 222 | 132.3 Ų | 132.3 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | | | | -156.4 | 172.5 | 70.7 | -126.4 | -107.7 | 0 | 0 | 0 | 110.7 | | |
| 297 | M | 43.5 | Very low | 35 | Very low | 186 Ų | 186 | 135.1 Ų | 135.1 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | | | trans | -79.4 | 154.4 | -179 | -66.9 | -112.6 | -76.8 | 0 | 0 | 113.5 | | |
| 298 | G | 30.5 | Very low | 34.5 | Very low | 64 Ų | 64 | 136.7 Ų | 136.7 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | | | cis | 162.8 | -153.8 | -2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 299 | Q | 32.5 | Very low | 34.2 | Very low | 201 Ų | 201 | 133.4 Ų | 133.4 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | | | trans | 84.5 | 143.5 | 178.5 | -51.2 | -169.4 | 8.7 | 0 | 0 | 117.4 | | |
| 300 | S | 32.9 | Very low | 33.5 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | -149.1 | 138.7 | -159 | -48 | 0 | 0 | 0 | 0 | 114.8 | | |
| 301 | S | 33.9 | Very low | 33.2 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -174.5 | 131.2 | 142.3 | -85.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 302 | S | 33.8 | Very low | 32.2 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | | 69.1 | 131.2 | 51.2 | 101 | 0 | 0 | 0 | 0 | 112.7 | | |
| 303 | G | 31.3 | Very low | 32.4 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | cis | -136.6 | 169.5 | 0.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 304 | G | 32.2 | Very low | 32.4 | Very low | 84 Ų | 84 | 142.9 Ų | 142.9 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | | | trans | -92.1 | 168.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 305 | S | 30.6 | Very low | 32.4 | Very low | 124 Ų | 124 | 141 Ų | 141 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | | | trans | -140 | 156.2 | 160.1 | -165 | 0 | 0 | 0 | 0 | 110.2 | | |
| 306 | I | 33.8 | Very low | 32.4 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | | | trans | -99.1 | 152.1 | 180 | 2.4 | 175.1 | 0 | 0 | 0 | 109.1 | | |
| 307 | H | 29.7 | Very low | 32.1 | Very low | 182 Ų | 182 | 136.9 Ų | 136.9 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | | 179.8 | 161.8 | 126 | -93.6 | -63.7 | 0 | 0 | 0 | 110.8 | | |
| 308 | S | 30.5 | Very low | 31.6 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | | | trans | -91 | 155.5 | -168.4 | 47.1 | 0 | 0 | 0 | 0 | 114 | | |
| 309 | N | 30.3 | Very low | 31.5 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | trans | -64.3 | 137.4 | 172.3 | -177.1 | -80.1 | 0 | 0 | 0 | 111.7 | | |
| 310 | L | 30 | Very low | 32 | Very low | 140 Ų | 140 | 134 Ų | 134 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | | | trans | -155.3 | 115.2 | 175.3 | -173.4 | 71.7 | 0 | 0 | 0 | 112 | | |
| 311 | E | 29.7 | Very low | 32.1 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | | | trans | 62.3 | 162.3 | 151.4 | -69.5 | -167 | 128.3 | 0 | 0 | 124 | | |
| 312 | Q | 30.3 | Very low | 32.6 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | 68 | 120.5 | 164.7 | -71.2 | 154.9 | 50.6 | 0 | 0 | 116.9 | | |
| 313 | E | 31 | Very low | 32.6 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | | | cis | 80.5 | 113.3 | 45.6 | -155.4 | -149.3 | 130.6 | 0 | 0 | 113.4 | | |
| 314 | K | 31.4 | Very low | 32.5 | Very low | 190 Ų | 190 | 141.1 Ų | 141.1 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | | | trans | 66.1 | 121.9 | 145.5 | 168.9 | -171.5 | -179.5 | -173.4 | 0 | 120.3 | | |
| 315 | G | 32.8 | Very low | 32.6 | Very low | 78 Ų | 78 | 140.6 Ų | 140.6 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -165.1 | 141.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 316 | K | 33.8 | Very low | 33.1 | Very low | 191 Ų | 191 | 143.7 Ų | 143.7 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | | | trans | -118.6 | 160.9 | -175.7 | -104.4 | -166.7 | 172.8 | -161.5 | 0 | 111.9 | | |
| 317 | D | 29.3 | Very low | 33.4 | Very low | 140 Ų | 140 | 145 Ų | 145 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | trans | 81 | 156.3 | 147.3 | -98.4 | -85.4 | 0 | 0 | 0 | 121.2 | | |
| 318 | S | 32.5 | Very low | 33.5 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | | | trans | 96.3 | 95.4 | 174.4 | -41.3 | 0 | 0 | 0 | 0 | 118.4 | | |
| 319 | E | 28.8 | Very low | 33.4 | Very low | 182 Ų | 182 | 144.5 Ų | 144.5 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | | | trans | -74.6 | 179.6 | 150.1 | -124.2 | -154.5 | 116.3 | 0 | 0 | 110.2 | | |
| 320 | P | 43.6 | Very low | 33.6 | Very low | 93 Ų | 93 | 143.7 Ų | 143.7 | 60% | 0.604 | 75% | 0.753 | S | S | * | * | | | cis | -139.3 | -167.5 | -5.9 | 42.6 | -24.4 | 0 | 0 | 0 | 115.8 | | |
| 321 | K | 34.8 | Very low | 33.9 | Very low | 199 Ų | 199 | 144.5 Ų | 144.5 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | | | trans | 86.2 | 160.3 | 149.9 | -84.8 | -159.5 | 169 | -179.6 | 0 | 120.5 | | |
| 322 | P | 45.1 | Very low | 34.2 | Very low | 116 Ų | 116 | 146.8 Ų | 146.8 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | | | trans | -128.5 | 176.2 | -142.7 | 45 | -31.9 | 0 | 0 | 0 | 116 | | |
| 323 | D | 32.3 | Very low | 34.5 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | | | trans | -145.1 | 147.5 | 151.6 | -153.9 | -162.6 | 0 | 0 | 0 | 114.2 | | |
| 324 | D | 30.6 | Very low | 34.4 | Very low | 99 Ų | 99 | 146.4 Ų | 146.4 | 53% | 0.529 | 77% | 0.768 | S | S | . | * | | | trans | -63.4 | 153.4 | 165.7 | 169.9 | 31.6 | 0 | 0 | 0 | 111 | R326 | D324-R326 IonicContact OD2-CZ 3.46Å; D324-R326 IonicContact OD2-NE 3.01Å; D324-R326 PolarHBondContact OD2-NE 3.45Å; D324-R326 IonicContact OD2-NH2 2.95Å; D324-R326 PolarHBondContact OD2-NH2 3.19Å |
| 325 | G | 34.4 | Very low | 34.4 | Very low | 72 Ų | 72 | 144.7 Ų | 144.7 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | trans | -150.4 | -9.7 | -163.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 326 | R | 40.6 | Very low | 34.6 | Very low | 189 Ų | 189 | 147 Ų | 147 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | | | trans | 52.2 | 92.6 | 157.3 | -56 | 177.4 | -173.7 | -175.7 | 4.8 | 120.8 | D324 | D324-R326 IonicContact OD2-CZ 3.46Å; D324-R326 IonicContact OD2-NE 3.01Å; D324-R326 PolarHBondContact OD2-NE 3.45Å; D324-R326 IonicContact OD2-NH2 2.95Å; D324-R326 PolarHBondContact OD2-NH2 3.19Å |
| 327 | K | 40.7 | Very low | 34.8 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | | 29 | 132.8 | 126.2 | 73.6 | -160.7 | 175.2 | -175.7 | 0 | 122.1 | F329 | K327-F329 HydrophobicContact CG-CE2 4.5Š|
| 328 | S | 30.9 | Very low | 34.9 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | trans | -148.1 | 120.3 | 135.5 | 46.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 329 | F | 27.7 | Very low | 34.9 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | | | | 56.2 | 126.4 | 91.7 | -53.1 | -57.2 | 0 | 0 | 0 | 113 | K327 | K327-F329 HydrophobicContact CG-CE2 4.5Š|
| 330 | L | 36.1 | Very low | 35.1 | Very low | 148 Ų | 148 | 146.1 Ų | 146.1 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | | | cis | -149.4 | 179.5 | 33.5 | -156.4 | 76.4 | 0 | 0 | 0 | 113.6 | | |
| 331 | M | 34.7 | Very low | 34.5 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 77% | 0.768 | 77% | 0.767 | S | S | * | * | | | trans | -38.9 | 159.5 | 170.8 | -64.3 | 132.9 | 62.6 | 0 | 0 | 116.2 | | |
| 332 | K | 37.8 | Very low | 34.5 | Very low | 195 Ų | 195 | 143.4 Ų | 143.4 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | | | cis | -163.1 | 160 | 43.3 | -160.5 | -179.3 | 176.5 | -175.1 | 0 | 114.1 | | |
| 333 | R | 34.6 | Very low | 34 | Very low | 236 Ų | 236 | 141.7 Ų | 141.7 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | | | trans | -67.4 | 164.1 | 166.4 | -58.4 | 178.4 | -168.5 | 152.4 | 1.2 | 111.7 | | |
| 334 | G | 29.9 | Very low | 34.2 | Very low | 64 Ų | 64 | 141.2 Ų | 141.2 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | | | cis | 147.5 | 173.7 | 0.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 335 | D | 31.1 | Very low | 34.3 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | trans | 59.2 | 136.3 | 179.4 | -54.2 | -30.4 | 0 | 0 | 0 | 116.6 | | |
| 336 | V | 38.3 | Very low | 34.2 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | cis | 82.7 | 98.6 | 30.5 | -176.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 337 | I | 36.1 | Very low | 33.9 | Very low | 156 Ų | 156 | 141.8 Ų | 141.8 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | trans | 173.1 | 149.4 | 135.9 | -89.1 | 155.4 | 0 | 0 | 0 | 110.1 | | |
| 338 | D | 32.3 | Very low | 33.6 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | | | trans | -76.6 | 158.3 | -169.2 | -38.2 | -93.8 | 0 | 0 | 0 | 115.6 | | |
| 339 | Y | 31.7 | Very low | 34 | Very low | 221 Ų | 221 | 140.1 Ų | 140.1 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | | | | -165.8 | 146.8 | 113.1 | -135.1 | -115.1 | 0 | 0 | 0 | 115.3 | | |
| 340 | S | 33.7 | Very low | 34.3 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | | | trans | 10.7 | 126.3 | 164.2 | -58.2 | 0 | 0 | 0 | 0 | 122.3 | | |
| 341 | S | 30.8 | Very low | 34.8 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | | 156.5 | 140 | 92.9 | -162.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 342 | S | 35.8 | Very low | 35 | Very low | 119 Ų | 119 | 137 Ų | 137 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | 19.5 | 114.5 | 151.5 | 177.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 343 | G | 34.8 | Very low | 35.1 | Very low | 81 Ų | 81 | 135.5 Ų | 135.5 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | trans | -176.7 | 119.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 344 | V | 35.2 | Very low | 35.7 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | | | trans | -97.9 | 133.7 | 168.7 | 57.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 345 | S | 32.7 | Very low | 36 | Very low | 87 Ų | 87 | 133 Ų | 133 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | | | trans | -178.3 | 128 | 143.1 | -172.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 346 | T | 33 | Very low | 36.1 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | | | trans | -91.7 | 105.7 | 158 | 47.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 347 | N | 34.2 | Very low | 37.1 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | | | trans | -125.8 | 103.2 | -177.7 | -131.8 | -7.6 | 0 | 0 | 0 | 109.1 | | |
| 348 | D | 34.8 | Very low | 37.7 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | | | trans | -137.7 | 118.6 | 151.4 | -172 | 28.3 | 0 | 0 | 0 | 107.5 | | |
| 349 | A | 39.8 | Very low | 38.3 | Very low | 75 Ų | 75 | 134.3 Ų | 134.3 | 62% | 0.62 | 79% | 0.789 | S | S | * | * | | | trans | -161.3 | 131.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 350 | S | 32.8 | Very low | 39.3 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -167.1 | 144.3 | 171.1 | -81.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 351 | P | 46.8 | Very low | 39.4 | Very low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | | | cis | -123.7 | 169.1 | -47.4 | 34.5 | -21 | 0 | 0 | 0 | 111.1 | | |
| 352 | L | 39 | Very low | 39.6 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 138.8 | 173.1 | -67.8 | 172.4 | 0 | 0 | 0 | 111.2 | | |
| 353 | D | 40 | Very low | 39.6 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 139.2 | 158.3 | -80.5 | -45.3 | 0 | 0 | 0 | 110 | | |
| 354 | P | 46.1 | Very low | 39.7 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 135.9 | -169.3 | 36.8 | -35.3 | 0 | 0 | 0 | 114.8 | | |
| 355 | I | 37.8 | Very low | 39.5 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | | | trans | 48.8 | 129.7 | 153.6 | 66.7 | 174.2 | 0 | 0 | 0 | 121.4 | | |
| 356 | T | 32.3 | Very low | 39.4 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | | | | -140.8 | 145.5 | 125.5 | 39.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 357 | E | 60.3 | Low | 39.3 | Very low | 177 Ų | 177 | 134.5 Ų | 134.5 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | trans | -127.4 | 53.6 | -175 | 58.1 | -174.5 | 124.1 | 0 | 0 | 112 | | |
| 358 | E | 48.7 | Very low | 39.4 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -135.7 | 146.7 | 180 | -56.6 | -176.5 | 120 | 0 | 0 | 108.2 | | |
| 359 | D | 44.4 | Very low | 39.4 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 65% | 0.652 | 77% | 0.767 | S | S | * | * | | | cis | -153.2 | 163.4 | 11.3 | -172.8 | 18.3 | 0 | 0 | 0 | 111.1 | K361 | D359-K361 WeakPolarHBondContact OD2-CE 3.49Å; D359-K361 IonicContact OD2-NZ 2.57Å; D359-K361 PolarHBondContact OD2-NZ 3.13Å |
| 360 | E | 52.6 | Low | 39.5 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | trans | -87.7 | 121.5 | 178.3 | 179.4 | -169.2 | 117.2 | 0 | 0 | 112 | | |
| 361 | K | 35.3 | Very low | 40.2 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | | | trans | -166 | 156.1 | 154.8 | 34.8 | -133.1 | 173.4 | -161.8 | 0 | 117.6 | D359 | D359-K361 WeakPolarHBondContact OD2-CE 3.49Å; D359-K361 IonicContact OD2-NZ 2.57Å; D359-K361 PolarHBondContact OD2-NZ 3.13Å |
| 362 | S | 36.4 | Very low | 39.2 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | trans | -87.2 | -178.8 | -166.6 | -51.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 363 | D | 34 | Very low | 38.9 | Very low | 126 Ų | 126 | 140 Ų | 140 | 67% | 0.674 | 77% | 0.772 | S | S | * | * | | | trans | 98.1 | 110 | 140.6 | -75.5 | -50.4 | 0 | 0 | 0 | 122.2 | | |
| 364 | Q | 36.8 | Very low | 38.6 | Very low | 160 Ų | 160 | 142 Ų | 142 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | | 46.3 | 129.5 | 120.9 | -64.3 | -176.3 | 69.2 | 0 | 0 | 122 | | |
| 365 | S | 31.9 | Very low | 37.7 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | 69.9 | 152.8 | 153.5 | -58.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 366 | G | 29.8 | Very low | 37.4 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | cis | 156.2 | 165.3 | -11 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 367 | S | 30.7 | Very low | 37.2 | Very low | 87 Ų | 87 | 141 Ų | 141 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | | | trans | 67 | 103.2 | 157.1 | -179.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 368 | K | 37.8 | Very low | 35.9 | Very low | 184 Ų | 184 | 142.4 Ų | 142.4 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | | | trans | 59.3 | 129.1 | 131.4 | -49.7 | 163.9 | -152.6 | 135.5 | 0 | 120.1 | | |
| 369 | L | 34.6 | Very low | 34.9 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | | | | -143 | 120.9 | 126.7 | -81.8 | -171.3 | 0 | 0 | 0 | 112.4 | | |
| 370 | L | 41.9 | Very low | 34.2 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | | | trans | -108.9 | 179.4 | 147.9 | -64 | 178.6 | 0 | 0 | 0 | 105.5 | | |
| 371 | P | 46.2 | Very low | 33.4 | Very low | 126 Ų | 126 | 136 Ų | 136 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | cis | -145.7 | 178.9 | 10.8 | 44 | -25.4 | 0 | 0 | 0 | 117.6 | | |
| 372 | G | 27.8 | Very low | 33.4 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | trans | 134.2 | 147.6 | 141.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 373 | K | 31.5 | Very low | 33.1 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | | | cis | 168.4 | 149.1 | -17.7 | -121.2 | -175.9 | 177.3 | -176.6 | 0 | 105.9 | | |
| 374 | K | 33 | Very low | 32.7 | Very low | 206 Ų | 206 | 138.9 Ų | 138.9 | 90% | 0.896 | 77% | 0.768 | S | S | * | * | | | trans | 78.7 | 149.1 | 169.5 | 105.3 | -158.5 | 172.9 | -179.2 | 0 | 115.6 | | |
| 375 | S | 28.2 | Very low | 32.5 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | cis | -167 | 175 | -13.4 | -146.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 376 | S | 31 | Very low | 32.7 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | 72.3 | 126.6 | 165.5 | -140.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 377 | E | 28.7 | Very low | 32.9 | Very low | 139 Ų | 139 | 145.5 Ų | 145.5 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | | | cis | 83.9 | 116.8 | 32.3 | -73.2 | -152.9 | 83.2 | 0 | 0 | 117.9 | | |
| 378 | R | 33.4 | Very low | 33.4 | Very low | 206 Ų | 206 | 147.8 Ų | 147.8 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | | | trans | 89.2 | 125 | 130 | -97.1 | -177.6 | 160.8 | 117.8 | -10.6 | 123.9 | | |
| 379 | S | 27.3 | Very low | 33.2 | Very low | 97 Ų | 97 | 148 Ų | 148 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | | | trans | 42.4 | 134.3 | 136.3 | 55.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 380 | S | 30.4 | Very low | 33.2 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | cis | 105.6 | 143.8 | 27.9 | -172.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 381 | L | 35.8 | Very low | 32.5 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | | | trans | 63.9 | 143.6 | -166.8 | -53.8 | 100.3 | 0 | 0 | 0 | 113.2 | | |
| 382 | F | 33.4 | Very low | 31.7 | Very low | 177 Ų | 177 | 137.7 Ų | 137.7 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | cis | -135.6 | 176.3 | 23.6 | -72 | -97.2 | 0 | 0 | 0 | 109.8 | | |
| 383 | Q | 30.8 | Very low | 31.9 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | | | cis | -173.5 | 121.8 | -26.8 | 171.5 | 172.4 | 52.3 | 0 | 0 | 107.5 | | |
| 384 | T | 26.4 | Very low | 32.3 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | 42.4 | 117.9 | 162.1 | 59.8 | 0 | 0 | 0 | 0 | 121.9 | | |
| 385 | D | 32.6 | Very low | 32.7 | Very low | 155 Ų | 155 | 144 Ų | 144 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | | | | -149.9 | 173.6 | 125.2 | -145.5 | -26.8 | 0 | 0 | 0 | 111.2 | | |
| 386 | L | 34.9 | Very low | 33 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | | | trans | -98.5 | 120.8 | -156.5 | -92.4 | 56.6 | 0 | 0 | 0 | 116.1 | L388 | L386-L388 HydrophobicContact CD2-CD1 4.28Å; L386-L388 HydrophobicContact CG-CD1 4.09Å |
| 387 | K | 34.2 | Very low | 33.2 | Very low | 204 Ų | 204 | 150.1 Ų | 150.1 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | S | Bend | | -142.9 | 141.6 | 111.8 | -150.3 | 97.1 | 78.6 | 177.9 | 0 | 110.5 | | |
| 388 | L | 41 | Very low | 33.6 | Very low | 136 Ų | 136 | 151.3 Ų | 151.3 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | | | trans | -76.2 | 156.4 | -168 | -83.7 | 72.8 | 0 | 0 | 0 | 112.9 | L386 | L386-L388 HydrophobicContact CD2-CD1 4.28Å; L386-L388 HydrophobicContact CG-CD1 4.09Å |
| 389 | K | 33.9 | Very low | 34 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | cis | -166.2 | 126 | -13 | 168.3 | 177.5 | 178.8 | -175.8 | 0 | 108.6 | | |
| 390 | G | 35.8 | Very low | 34.2 | Very low | 65 Ų | 65 | 147.7 Ų | 147.7 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | | | trans | -106.7 | -167.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 391 | S | 26.8 | Very low | 35 | Very low | 131 Ų | 131 | 150.2 Ų | 150.2 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | | | trans | 69.1 | 136.1 | -174.2 | -159.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 392 | G | 29.1 | Very low | 35.1 | Very low | 50 Ų | 50 | 152.7 Ų | 152.7 | 52% | 0.515 | 79% | 0.788 | S | S | . | * | | | cis | 145.8 | 153.5 | 5.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 393 | L | 32.6 | Very low | 35.8 | Very low | 162 Ų | 162 | 152 Ų | 152 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | trans | 65.8 | 153.5 | -171.2 | -40.3 | 175.1 | 0 | 0 | 0 | 112 | | |
| 394 | R | 38.8 | Very low | 36.5 | Very low | 203 Ų | 203 | 153.8 Ų | 153.8 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | | | cis | -153.1 | 165.2 | 17.3 | 44.4 | -90.1 | -120.6 | 143.2 | 4.3 | 109.9 | Q396 | R394-Q396 PolarHBondContact O-N 3Å; R394-Q396 VanDerWaalsContact O-N 3.16Å |
| 395 | Y | 42 | Very low | 37.1 | Very low | 237 Ų | 237 | 153.2 Ų | 153.2 | 93% | 0.929 | 80% | 0.801 | S | S | * | * | | | trans | -57 | 116.1 | 162.7 | -74.9 | -93.5 | 0 | 0 | 0 | 110.3 | | |
| 396 | Q | 34.9 | Very low | 37.2 | Very low | 166 Ų | 166 | 148.8 Ų | 148.8 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -150 | 119.8 | 151.8 | -83.7 | -142.6 | 82.5 | 0 | 0 | 110.4 | R394 | R394-Q396 PolarHBondContact O-N 3Å; R394-Q396 VanDerWaalsContact O-N 3.16Å |
| 397 | K | 33.8 | Very low | 37.3 | Very low | 181 Ų | 181 | 149.5 Ų | 149.5 | 79% | 0.787 | 80% | 0.802 | S | S | * | * | | | trans | 39.7 | 107.8 | 130.2 | -162.3 | 170.4 | -174.3 | 179.5 | 0 | 117.2 | P399 | K397-P399 WeakPolarHBondContact O-CD 3.23Š|
| 398 | L | 38.2 | Very low | 37.7 | Very low | 165 Ų | 165 | 148.9 Ų | 148.9 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 128.4 | 156.1 | -64.5 | 172.5 | 0 | 0 | 0 | 109.2 | | |
| 399 | P | 40.4 | Very low | 37.5 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 151.9 | 155.5 | -11.6 | 28.8 | 0 | 0 | 0 | 109.5 | K397 | K397-P399 WeakPolarHBondContact O-CD 3.23Š|
| 400 | S | 32 | Very low | 37.9 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 152.6 | 164.1 | -49.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 401 | D | 46.6 | Very low | 38 | Very low | 153 Ų | 153 | 149.7 Ų | 149.7 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | | 19.9 | 110.3 | 120.9 | -167.1 | 50.5 | 0 | 0 | 0 | 117.5 | | |
| 402 | E | 38.7 | Very low | 38.5 | Very low | 193 Ų | 193 | 150.2 Ų | 150.2 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | -148.3 | 145.2 | 145 | -69.1 | -161.8 | 120.8 | 0 | 0 | 108.3 | | |
| 403 | D | 47.9 | Very low | 38.9 | Very low | 162 Ų | 162 | 153.1 Ų | 153.1 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | | | trans | -62.6 | 150.1 | -175.4 | -81.6 | -86.5 | 0 | 0 | 0 | 115.6 | | |
| 404 | E | 46.7 | Very low | 39.3 | Very low | 194 Ų | 194 | 151.6 Ų | 151.6 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | | | trans | -149.5 | 145.4 | 133.9 | -167.5 | 144 | 75.2 | 0 | 0 | 112 | | |
| 405 | S | 38.9 | Very low | 39.3 | Very low | 116 Ų | 116 | 149 Ų | 149 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | | | trans | -103.8 | 134.6 | -171.9 | 60.7 | 0 | 0 | 0 | 0 | 114 | | |
| 406 | G | 34.1 | Very low | 39 | Very low | 61 Ų | 61 | 144.8 Ų | 144.8 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | | | trans | 172.6 | 109.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 407 | T | 37.5 | Very low | 39.2 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | | | | 73.8 | 85.4 | 83.7 | 59 | 0 | 0 | 0 | 0 | 115.5 | | |
| 408 | E | 41.6 | Very low | 39.2 | Very low | 191 Ų | 191 | 145 Ų | 145 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | | | trans | -152.1 | 170.4 | 143.6 | 55.7 | -170.8 | 136.2 | 0 | 0 | 110.2 | | |
| 409 | E | 38 | Very low | 39.2 | Very low | 171 Ų | 171 | 143.3 Ų | 143.3 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | | | | -149 | 156.8 | -122.7 | 61.8 | -169.2 | 99 | 0 | 0 | 115.5 | | |
| 410 | S | 42.4 | Very low | 38.8 | Very low | 90 Ų | 90 | 144.7 Ų | 144.7 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | | | trans | 61.8 | 125.7 | 165.1 | 71.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 411 | D | 37.4 | Very low | 38.9 | Very low | 145 Ų | 145 | 146 Ų | 146 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | | | cis | 57.7 | 114 | 21.7 | -157.2 | 3.5 | 0 | 0 | 0 | 115.3 | | |
| 412 | N | 37.8 | Very low | 38.3 | Very low | 141 Ų | 141 | 150.3 Ų | 150.3 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | | | trans | -140.4 | 83.8 | -171.5 | -93.3 | -93.2 | 0 | 0 | 0 | 111.5 | | |
| 413 | T | 35.6 | Very low | 37.9 | Very low | 112 Ų | 112 | 151 Ų | 151 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | | | trans | -101 | 124 | 162.2 | 42.2 | 0 | 0 | 0 | 0 | 110 | L415 | T413-L415 PolarHBondContact O-N 3.31Š|
| 414 | P | 41.1 | Very low | 37.2 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | | | trans | -81.4 | 109.1 | 176.6 | 30.8 | -31.8 | 0 | 0 | 0 | 110.4 | | |
| 415 | L | 39.2 | Very low | 36.3 | Very low | 149 Ų | 149 | 148.6 Ų | 148.6 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | | | trans | -117.2 | 161.3 | 172.1 | -95 | 173.6 | 0 | 0 | 0 | 113.1 | T413 | T413-L415 PolarHBondContact O-N 3.31Š|
| 416 | L | 37 | Very low | 36 | Very low | 148 Ų | 148 | 146.5 Ų | 146.5 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | trans | -30.5 | 145.2 | -178.8 | -65.2 | 162.9 | 0 | 0 | 0 | 116.6 | | |
| 417 | K | 38.2 | Very low | 36.1 | Very low | 208 Ų | 208 | 153.3 Ų | 153.3 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | | | trans | -144.9 | 64.3 | 173.2 | -154.6 | 161.9 | -167.4 | 163.8 | 0 | 113.6 | | |
| 418 | D | 34.3 | Very low | 36 | Very low | 144 Ų | 144 | 152.5 Ų | 152.5 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | -84.7 | 122.8 | 158.7 | -67.3 | -73.1 | 0 | 0 | 0 | 109.9 | | |
| 419 | D | 37.3 | Very low | 35.4 | Very low | 128 Ų | 128 | 149.4 Ų | 149.4 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | | | trans | -170.2 | 159.9 | 136.5 | -141 | -15.2 | 0 | 0 | 0 | 113.6 | | |
| 420 | K | 31.5 | Very low | 35.2 | Very low | 147 Ų | 147 | 150.6 Ų | 150.6 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | | | trans | 59.2 | 93.9 | 160.4 | -98.2 | 61.5 | 177.9 | -175.1 | 0 | 121.7 | | |
| 421 | D | 35 | Very low | 34.6 | Very low | 136 Ų | 136 | 152.9 Ų | 152.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | | 44.2 | 108.2 | 112.4 | -58.8 | -55.2 | 0 | 0 | 0 | 120.3 | | |
| 422 | R | 33.7 | Very low | 34.7 | Very low | 244 Ų | 244 | 150.8 Ų | 150.8 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | | | trans | -157.5 | 100.3 | 137.6 | -115.9 | 173 | -164.9 | -147 | 4.6 | 115.3 | | |
| 423 | K | 30.2 | Very low | 34.2 | Very low | 209 Ų | 209 | 153.9 Ų | 153.9 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | | | trans | 35.8 | 117 | 146.6 | -61.5 | -171.6 | 174.1 | -167.4 | 0 | 120.4 | | |
| 424 | A | 34.1 | Very low | 33.8 | Very low | 105 Ų | 105 | 153.7 Ų | 153.7 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | | | | -159 | 162.5 | 125.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 425 | E | 28.2 | Very low | 33.6 | Very low | 200 Ų | 200 | 152.4 Ų | 152.4 | 94% | 0.935 | 78% | 0.784 | S | S | * | * | | | trans | -92.5 | 170.9 | -171.5 | -55.4 | 178.9 | 98.7 | 0 | 0 | 114.7 | | |
| 426 | G | 32.8 | Very low | 32.9 | Very low | 72 Ų | 72 | 153.1 Ų | 153.1 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | 117.1 | 82.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 427 | K | 34.4 | Very low | 32.5 | Very low | 203 Ų | 203 | 154.3 Ų | 154.3 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | | 55.8 | 136.1 | 68 | -92.7 | -170.1 | 178 | -178.9 | 0 | 115.7 | | |
| 428 | V | 35.5 | Very low | 31.9 | Very low | 130 Ų | 130 | 149.9 Ų | 149.9 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | | | trans | 74.3 | 142.2 | 163.3 | 162.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 429 | E | 29.6 | Very low | 31.7 | Very low | 125 Ų | 125 | 147.4 Ų | 147.4 | 58% | 0.584 | 78% | 0.78 | S | S | * | * | | | cis | -173.4 | 166.6 | -27.2 | -150.7 | -170.8 | 134.5 | 0 | 0 | 109.4 | | |
| 430 | R | 34.1 | Very low | 31.6 | Very low | 196 Ų | 196 | 150.1 Ų | 150.1 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | trans | 63.7 | 108.8 | 159 | -55.3 | -173.9 | -162.1 | 125.1 | 19.7 | 121.3 | | |
| 431 | V | 29.9 | Very low | 32.3 | Very low | 138 Ų | 138 | 148.3 Ų | 148.3 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | trans | -46.4 | 134.1 | 133.2 | 168.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 432 | P | 39.7 | Very low | 32.2 | Very low | 102 Ų | 102 | 148.8 Ų | 148.8 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | | | | -156 | 154 | 77.7 | 40.9 | -20.5 | 0 | 0 | 0 | 120.5 | | |
| 433 | K | 27.2 | Very low | 32.3 | Very low | 205 Ų | 205 | 147.1 Ų | 147.1 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | | | trans | 61.9 | 147.3 | 140.9 | -68.9 | 177.8 | 177.4 | -177.5 | 0 | 121.3 | | |
| 434 | S | 26.9 | Very low | 32.6 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | -75.8 | 169.9 | 167.2 | 57.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 435 | P | 37.2 | Very low | 32.7 | Very low | 103 Ų | 103 | 147 Ų | 147 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | | | | -146.3 | 162.6 | 81.4 | 40.1 | -22.9 | 0 | 0 | 0 | 117.2 | | |
| 436 | E | 24.3 | Very low | 33.4 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | trans | 51.1 | 134.5 | 137.9 | -64.4 | 170.1 | 115.6 | 0 | 0 | 124.3 | | |
| 437 | H | 28.7 | Very low | 33.6 | Very low | 173 Ų | 173 | 151.2 Ų | 151.2 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | | | trans | 27.2 | 120.5 | 144.3 | -62.5 | -77.4 | 0 | 0 | 0 | 120.8 | | |
| 438 | S | 26 | Very low | 33.7 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | | 165.5 | 163.5 | 90.6 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 439 | A | 30.1 | Very low | 33.7 | Very low | 93 Ų | 93 | 148 Ų | 148 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | 55.2 | 115.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 440 | E | 35.2 | Very low | 34.2 | Very low | 185 Ų | 185 | 149.1 Ų | 149.1 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | -53.9 | 156.1 | 143.2 | -48.7 | -174.5 | 141 | 0 | 0 | 110.1 | | |
| 441 | P | 45.3 | Very low | 34.4 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | | | | -156 | -177.1 | 85.5 | 34.5 | -11 | 0 | 0 | 0 | 117.5 | | |
| 442 | I | 34 | Very low | 34.7 | Very low | 145 Ų | 145 | 151.1 Ų | 151.1 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | | | trans | 87.4 | 85.3 | 157.8 | -41.4 | -172.3 | 0 | 0 | 0 | 118.4 | | |
| 443 | R | 34.8 | Very low | 34.5 | Very low | 210 Ų | 210 | 151.6 Ų | 151.6 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | | 32.7 | 116.9 | 120 | -57.4 | 175.1 | -178.5 | 169.8 | -0.1 | 118.8 | | |
| 444 | T | 37.2 | Very low | 35.1 | Very low | 142 Ų | 142 | 149 Ų | 149 | 87% | 0.871 | 78% | 0.783 | S | S | * | * | | | trans | -128.9 | 127.7 | 137.6 | -47.2 | 0 | 0 | 0 | 0 | 109 | | |
| 445 | F | 36.3 | Very low | 35.9 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | | | trans | -83.1 | 146.3 | 174.5 | -66.4 | -101.3 | 0 | 0 | 0 | 110.4 | | |
| 446 | I | 42.7 | Very low | 36.3 | Very low | 164 Ų | 164 | 150 Ų | 150 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | | | trans | -165.9 | 109.3 | 135.1 | -99.8 | 148.8 | 0 | 0 | 0 | 111.5 | | |
| 447 | K | 37.2 | Very low | 37.6 | Very low | 197 Ų | 197 | 149.4 Ų | 149.4 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | trans | 54 | 137.1 | 135.7 | -155.7 | 174.3 | -178 | -179.9 | 0 | 122.3 | | |
| 448 | A | 36.2 | Very low | 38.6 | Very low | 88 Ų | 88 | 146.9 Ų | 146.9 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | 76.4 | 113.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 449 | K | 35.4 | Very low | 39.7 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | | | | 72.2 | 111.1 | 67.9 | -164 | -122.1 | -179.9 | -160.6 | 0 | 108 | | |
| 450 | E | 39.8 | Very low | 41 | Very low | 150 Ų | 150 | 154.5 Ų | 154.5 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | cis | -131.6 | 159.1 | 41.5 | -73.3 | 157.6 | 177.1 | 0 | 0 | 115.4 | | |
| 451 | Y | 37.9 | Very low | 41.6 | Very low | 222 Ų | 222 | 152.5 Ų | 152.5 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | | | trans | -158.8 | 152.9 | 176.5 | -121.5 | -86.7 | 0 | 0 | 0 | 108.6 | | |
| 452 | L | 36.9 | Very low | 41.4 | Very low | 154 Ų | 154 | 153.3 Ų | 153.3 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | | | trans | 71.1 | 140.5 | 178.8 | -48.2 | -179.7 | 0 | 0 | 0 | 115.1 | | |
| 453 | S | 35.8 | Very low | 42.1 | Very low | 112 Ų | 112 | 151.9 Ų | 151.9 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | cis | -151.8 | 158.3 | -1.8 | -127.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 454 | D | 39.6 | Very low | 42.5 | Very low | 149 Ų | 149 | 149.1 Ų | 149.1 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | -81.6 | 165 | 175 | -172.7 | 21.2 | 0 | 0 | 0 | 112.8 | | |
| 455 | A | 43.3 | Very low | 42.9 | Very low | 76 Ų | 76 | 148 Ų | 148 | 63% | 0.628 | 78% | 0.784 | S | S | * | * | | | trans | 57.7 | 123.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 456 | L | 45.5 | Very low | 43.4 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -171.1 | 120.9 | 130.8 | -103.1 | 166.5 | 0 | 0 | 0 | 111.9 | | |
| 457 | L | 52.2 | Low | 43.4 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | | | trans | 64 | 111.5 | 161.7 | -51.5 | 169.4 | 0 | 0 | 0 | 117 | | |
| 458 | D | 50.3 | Low | 43.9 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | | | cis | 96.9 | 131.8 | 47.3 | -176.3 | 45.5 | 0 | 0 | 0 | 114.2 | | |
| 459 | K | 48 | Very low | 44.1 | Very low | 170 Ų | 170 | 145.5 Ų | 145.5 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | | | trans | 57.3 | 96.4 | 171.8 | -75.8 | 160.9 | -165.2 | 68.7 | 0 | 120.6 | | |
| 460 | K | 57.4 | Low | 44.2 | Very low | 198 Ų | 198 | 142.4 Ų | 142.4 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | | -156.9 | 143.5 | 127.2 | -158.5 | 67.5 | 177.3 | -179.5 | 0 | 112.1 | | |
| 461 | D | 47.4 | Very low | 44.2 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | | | trans | -63 | 139.6 | 170.5 | -60.9 | -95.1 | 0 | 0 | 0 | 113.3 | | |
| 462 | S | 42.2 | Very low | 44.2 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | | -166.8 | 129.5 | 129.4 | -77.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 463 | S | 47.1 | Very low | 44.4 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | -95.2 | 159 | 178.5 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 464 | D | 44.4 | Very low | 44.9 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | | | trans | 60.2 | 99.3 | 150.7 | -164.9 | 24.9 | 0 | 0 | 0 | 118.7 | | |
| 465 | S | 45.7 | Very low | 44.7 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | | -173.1 | 120 | 111.4 | 34.2 | 0 | 0 | 0 | 0 | 112 | | |
| 466 | G | 46.1 | Very low | 44.3 | Very low | 70 Ų | 70 | 140.5 Ų | 140.5 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | 143.3 | 122.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 467 | V | 42.2 | Very low | 43.8 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | | | | -153.7 | 147.7 | 125.3 | -96.1 | 0 | 0 | 0 | 0 | 109 | | |
| 468 | R | 49.2 | Very low | 42.9 | Very low | 236 Ų | 236 | 137.6 Ų | 137.6 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | | | trans | -130.9 | 138.8 | 164.3 | -68.5 | 178 | 72.3 | 157.8 | 1.2 | 108.4 | | |
| 469 | S | 40.4 | Very low | 42 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | trans | 80 | 141.4 | 157.5 | -50.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 470 | S | 36.9 | Very low | 41.3 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | 65.8 | 97.9 | 142 | 53.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 471 | E | 40.4 | Very low | 40.6 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | | | | 68.1 | 122.6 | 107.4 | -165.3 | 154.2 | 94.9 | 0 | 0 | 123.5 | | |
| 472 | S | 36.8 | Very low | 40 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | | | trans | 69.7 | 151.5 | 155.3 | 75.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 473 | S | 41 | Very low | 39.7 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | cis | -153.8 | -131.1 | -15.5 | -95.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 474 | P | 46.7 | Very low | 39 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | | | | -127 | 173.7 | -102.5 | 41.3 | -27.2 | 0 | 0 | 0 | 119.3 | | |
| 475 | N | 35.3 | Very low | 38.3 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | | | trans | 75 | 159.9 | 161.3 | -61.1 | -35.7 | 0 | 0 | 0 | 117.9 | | |
| 476 | H | 34.3 | Very low | 37.8 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | cis | -153.8 | 138.1 | 22.9 | -178.9 | -107.6 | 0 | 0 | 0 | 116.3 | | |
| 477 | S | 35.7 | Very low | 37.1 | Very low | 81 Ų | 81 | 142.3 Ų | 142.3 | 57% | 0.566 | 79% | 0.792 | S | S | * | * | | | trans | 28.7 | 137.8 | 152.5 | -48.8 | 0 | 0 | 0 | 0 | 126.6 | | |
| 478 | L | 32.3 | Very low | 36.8 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | | | | -130.4 | 126.8 | 115 | -78.4 | -179.3 | 0 | 0 | 0 | 106.6 | | |
| 479 | H | 31.8 | Very low | 36.1 | Very low | 156 Ų | 156 | 139 Ų | 139 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | | 98.7 | 90.3 | 55.1 | 179.2 | 76 | 0 | 0 | 0 | 112.9 | | |
| 480 | N | 33.7 | Very low | 36 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | trans | -179.2 | 128.2 | 134.2 | -106 | -5.2 | 0 | 0 | 0 | 112.7 | | |
| 481 | E | 42.4 | Very low | 36 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | | | trans | -149 | 133.9 | 161 | -67 | -168.6 | 151.8 | 0 | 0 | 108.7 | | |
| 482 | V | 34.8 | Very low | 35.6 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | | | trans | 179.9 | 152.8 | 162.3 | 133.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 483 | A | 36.5 | Very low | 35.6 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | trans | 70.6 | 110.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 484 | D | 32.6 | Very low | 35.6 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | cis | 108.6 | 157.8 | 17.2 | -158.7 | 17.4 | 0 | 0 | 0 | 113.7 | | |
| 485 | D | 28.6 | Very low | 35 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | | | trans | 66.5 | 105.7 | 179.3 | -99.9 | -37.7 | 0 | 0 | 0 | 119.5 | | |
| 486 | S | 35.5 | Very low | 35.3 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | | 178.9 | 111.7 | 108.8 | -77 | 0 | 0 | 0 | 0 | 115.7 | | |
| 487 | Q | 32.5 | Very low | 35.1 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | 63.3 | 91.4 | 133.4 | -162 | 168.5 | -22.6 | 0 | 0 | 122.8 | | |
| 488 | L | 34.7 | Very low | 35.4 | Very low | 159 Ų | 159 | 151.1 Ų | 151.1 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | | 18.2 | 124 | 121.7 | -62.2 | 167.1 | 0 | 0 | 0 | 121.1 | | |
| 489 | E | 34.3 | Very low | 35.4 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | | | trans | 162.7 | 151.4 | 131.1 | -87.2 | -132.4 | 123.8 | 0 | 0 | 109.8 | | |
| 490 | K | 40.3 | Very low | 35.5 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | | | cis | -159.3 | 158.7 | -20.4 | -163.8 | -178.4 | -140.5 | 143.6 | 0 | 107.6 | | |
| 491 | A | 35.9 | Very low | 35.9 | Very low | 74 Ų | 74 | 148.9 Ų | 148.9 | 61% | 0.612 | 79% | 0.793 | S | S | * | * | | | trans | -93.3 | 161.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 492 | N | 32 | Very low | 35.4 | Very low | 155 Ų | 155 | 145.1 Ų | 145.1 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | | | trans | 82 | 119.1 | 162.4 | -57.6 | -52.5 | 0 | 0 | 0 | 119.6 | | |
| 493 | L | 36.5 | Very low | 35.3 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | | | | 48.7 | 113.1 | 118.4 | -166.1 | 76.1 | 0 | 0 | 0 | 118.5 | | |
| 494 | I | 41.1 | Very low | 35.6 | Very low | 169 Ų | 169 | 144.9 Ų | 144.9 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | | | trans | -142.6 | 138.7 | 141.6 | -99.6 | 147.8 | 0 | 0 | 0 | 108.8 | | |
| 495 | E | 35.3 | Very low | 35.9 | Very low | 163 Ų | 163 | 148.7 Ų | 148.7 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | -98.7 | 143.6 | 177.7 | 161.3 | -176.2 | -130.8 | 0 | 0 | 108.7 | | |
| 496 | L | 40.1 | Very low | 36 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | trans | -167.5 | 160.5 | 158.2 | -108.7 | 168 | 0 | 0 | 0 | 111.2 | | |
| 497 | E | 30.7 | Very low | 36.4 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | -122 | -160.9 | -152.2 | -54 | 173.7 | 101.7 | 0 | 0 | 114.1 | | |
| 498 | D | 41.3 | Very low | 37.3 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | 77.2 | 97.5 | 172.4 | -137.3 | -119.5 | 0 | 0 | 0 | 115.5 | | |
| 499 | D | 34.1 | Very low | 37.1 | Very low | 150 Ų | 150 | 145.7 Ų | 145.7 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | | | | 90.6 | -178.9 | 63.6 | -157.4 | -92.6 | 0 | 0 | 0 | 112.6 | | |
| 500 | S | 33.7 | Very low | 37 | Very low | 80 Ų | 80 | 143.1 Ų | 143.1 | 56% | 0.559 | 78% | 0.779 | S | S | * | * | | | trans | 81 | 67.1 | -175.6 | -60.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 501 | H | 40.8 | Very low | 36.8 | Very low | 188 Ų | 188 | 142.5 Ų | 142.5 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | | | | 166.9 | 146.2 | 101.5 | -84.5 | 94.3 | 0 | 0 | 0 | 112.9 | | |
| 502 | S | 31.7 | Very low | 36.5 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | trans | -139.4 | 158.1 | -172.2 | 73.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 503 | G | 33.8 | Very low | 36.5 | Very low | 70 Ų | 70 | 141.4 Ų | 141.4 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | trans | 141.1 | 73.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 504 | K | 41.3 | Very low | 36.4 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | | | | 71.5 | 102 | 70.8 | -67.2 | -177.1 | 176.7 | 168.7 | 0 | 116.9 | | |
| 505 | R | 39.1 | Very low | 36.1 | Very low | 239 Ų | 239 | 142.1 Ų | 142.1 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | 75.1 | 140.1 | 142.1 | -57.7 | 177.4 | -67.1 | -161.4 | 0.7 | 120 | | |
| 506 | G | 30.9 | Very low | 36.2 | Very low | 79 Ų | 79 | 140.9 Ų | 140.9 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | | | trans | 164.5 | 93.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 507 | I | 45.5 | Very low | 36.9 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | -107.8 | 143.3 | 154.3 | -37.1 | 175.9 | 0 | 0 | 0 | 106.5 | | |
| 508 | P | 51.1 | Low | 37.2 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | | -142.3 | 171.4 | 120.3 | 37.6 | -24.5 | 0 | 0 | 0 | 114 | | |
| 509 | H | 29.6 | Very low | 37.5 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | | | trans | -98.1 | 164.2 | 176.7 | -63.6 | -91.1 | 0 | 0 | 0 | 113.1 | | |
| 510 | S | 32.6 | Very low | 37.7 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | | | trans | 117.1 | 106.2 | 136 | -61.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 511 | L | 34.9 | Very low | 38.2 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | | | | 57.4 | 109.6 | 125 | -55.5 | 178 | 0 | 0 | 0 | 122.1 | | |
| 512 | S | 31.2 | Very low | 37.6 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | | | | 172.6 | 145.4 | 129.9 | -77 | 0 | 0 | 0 | 0 | 110.3 | | |
| 513 | G | 31.7 | Very low | 37.9 | Very low | 73 Ų | 73 | 142.1 Ų | 142.1 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | cis | -174.8 | 127.3 | -8.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 514 | L | 33.4 | Very low | 38.2 | Very low | 151 Ų | 151 | 145 Ų | 145 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | 36.1 | 114.8 | 144.1 | -94.7 | 159.9 | 0 | 0 | 0 | 122.2 | | |
| 515 | Q | 34.9 | Very low | 37.9 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | | -156.1 | 104.7 | 123.2 | -146.5 | 81.2 | 94.9 | 0 | 0 | 111.5 | | |
| 516 | D | 38 | Very low | 37.9 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | | | trans | -86.5 | 159.3 | 170.6 | -106.1 | -21.1 | 0 | 0 | 0 | 110.1 | | |
| 517 | P | 55.1 | Low | 38.2 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | | | | -150.6 | -173.5 | 66.9 | 43.3 | -22.8 | 0 | 0 | 0 | 114.4 | | |
| 518 | I | 36.7 | Very low | 37.8 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | S | Bend | cis | -143.3 | 138.5 | 11.3 | -36.5 | 166.4 | 0 | 0 | 0 | 104.1 | | |
| 519 | I | 47 | Very low | 37.2 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | | | | -156.6 | 143.2 | 57.1 | -68.7 | 165.1 | 0 | 0 | 0 | 109.5 | | |
| 520 | A | 38.1 | Very low | 37.5 | Very low | 83 Ų | 83 | 145 Ų | 145 | 69% | 0.686 | 80% | 0.798 | S | S | * | * | | | trans | -84.5 | 150.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 521 | R | 45 | Very low | 37.6 | Very low | 244 Ų | 244 | 145.2 Ų | 145.2 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | | | cis | 59.3 | 92.3 | 45.3 | -77.9 | -167.1 | 166.6 | -153.9 | -4.2 | 114.9 | | |
| 522 | M | 28.3 | Very low | 37.9 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | | | trans | -152.3 | 121.4 | 151.9 | -110.2 | 169.4 | 73.3 | 0 | 0 | 110.9 | I524 | M522-I524 HydrophobicContact CE-CD1 4Å; M522-I524 HydrophobicContact CE-CG1 4.25Å |
| 523 | S | 38.4 | Very low | 38.1 | Very low | 118 Ų | 118 | 142 Ų | 142 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | -87 | 145 | 160.8 | -52.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 524 | I | 39.5 | Very low | 38.3 | Very low | 131 Ų | 131 | 146.7 Ų | 146.7 | 67% | 0.672 | 79% | 0.79 | S | S | * | * | | | trans | -130.6 | 103.9 | 166.8 | -58.9 | -179.2 | 0 | 0 | 0 | 108.2 | M522 S526 | M522-I524 HydrophobicContact CE-CD1 4Å; M522-I524 HydrophobicContact CE-CG1 4.25Å; I524-S526 WeakPolarHBondContact CG2-OG 3.32Å |
| 525 | C | 33.9 | Very low | 38.1 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | -78.2 | 147 | 154.5 | -58.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 526 | S | 40.3 | Very low | 37.9 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -145.9 | 87.2 | 172.5 | -72.5 | 0 | 0 | 0 | 0 | 110.2 | I524 | I524-S526 WeakPolarHBondContact CG2-OG 3.32Š|
| 527 | E | 38 | Very low | 37.8 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | trans | -117.3 | 111.7 | 159.7 | 179.8 | 179.9 | -0.7 | 0 | 0 | 107.7 | | |
| 528 | D | 36.5 | Very low | 36.9 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | | -162.8 | 171.1 | 129.4 | -163.3 | 18.1 | 0 | 0 | 0 | 109.6 | | |
| 529 | K | 37.2 | Very low | 36.7 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 74% | 0.735 | 80% | 0.797 | S | S | * | * | | | trans | -91.9 | 137.2 | -158.9 | -59.1 | 135.7 | -169 | 165.9 | 0 | 113.7 | | |
| 530 | K | 36.9 | Very low | 35.9 | Very low | 205 Ų | 205 | 140.5 Ų | 140.5 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | | | | -166.6 | 118.3 | 123.5 | -147.1 | 145.4 | -176.8 | 170.7 | 0 | 113.9 | | |
| 531 | S | 35.4 | Very low | 35.9 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -70 | 155.2 | 162.1 | -32.9 | 0 | 0 | 0 | 0 | 110 | | |
| 532 | P | 41.4 | Very low | 35.9 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | | | | -150.8 | 138.6 | 74.7 | 37.1 | -17.3 | 0 | 0 | 0 | 117.7 | | |
| 533 | S | 34.6 | Very low | 36.2 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | 65.3 | 166.8 | 148.7 | -39.9 | 0 | 0 | 0 | 0 | 118 | | |
| 534 | E | 35.1 | Very low | 36.4 | Very low | 172 Ų | 172 | 137.7 Ų | 137.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | cis | -138.3 | 154.2 | 2 | -73.6 | -175.2 | 116.2 | 0 | 0 | 110.8 | | |
| 535 | C | 29.7 | Very low | 36 | Very low | 113 Ų | 113 | 139 Ų | 139 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | | | trans | 56.3 | 146 | 147.1 | -65.9 | 0 | 0 | 0 | 0 | 121.1 | | |
| 536 | S | 30.5 | Very low | 36 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | cis | -157.3 | 158.7 | 0.8 | -106.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 537 | L | 35.8 | Very low | 35.9 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | trans | -82.7 | 141.3 | 166.9 | -62.2 | 167.7 | 0 | 0 | 0 | 111.1 | | |
| 538 | I | 37.5 | Very low | 35.5 | Very low | 174 Ų | 174 | 139 Ų | 139 | 89% | 0.892 | 79% | 0.788 | S | S | * | * | | | trans | -146.4 | 142.3 | 139.3 | 45.8 | 171.5 | 0 | 0 | 0 | 109.6 | | |
| 539 | A | 31.4 | Very low | 35.2 | Very low | 93 Ų | 93 | 138.8 Ų | 138.8 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | -93.9 | 147.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 540 | S | 31.4 | Very low | 35 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -178.2 | 137.5 | 140.9 | -79.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 541 | S | 37.8 | Very low | 34.9 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -80.8 | 138.4 | 150.9 | -172.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 542 | P | 44.3 | Very low | 34.8 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 66% | 0.662 | 80% | 0.802 | S | S | * | * | | | | -137.7 | 176.2 | 129.2 | 38.2 | -26.9 | 0 | 0 | 0 | 112.9 | | |
| 543 | E | 34.9 | Very low | 34.7 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | -76.3 | 165.3 | -168.6 | -55.4 | 97.5 | 121.6 | 0 | 0 | 116.4 | | |
| 544 | E | 43.5 | Very low | 34.8 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | | | trans | 34.7 | 116.5 | 139.2 | -171.1 | 174.6 | -175.2 | 0 | 0 | 119.9 | | |
| 545 | N | 29.8 | Very low | 34.8 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | | | trans | -152.7 | 149.8 | 135 | -152.1 | -3.4 | 0 | 0 | 0 | 113.6 | | |
| 546 | W | 34.7 | Very low | 35.3 | Very low | 200 Ų | 200 | 146.4 Ų | 146.4 | 76% | 0.758 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 155.7 | 174.7 | -71.8 | 78.8 | 0 | 0 | 0 | 111.9 | A548 | W546-A548 PolarHBondContact O-N 3.5Š|
| 547 | P | 37 | Very low | 35.6 | Very low | 120 Ų | 120 | 152.9 Ų | 152.9 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 124.2 | 167.1 | 27.6 | -33.5 | 0 | 0 | 0 | 110.5 | C549 | P547-C549 PolarHBondContact O-N 3.49Š|
| 548 | A | 29.7 | Very low | 35.7 | Very low | 96 Ų | 96 | 150.6 Ų | 150.6 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 127.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | W546 | W546-A548 PolarHBondContact O-N 3.5Š|
| 549 | C | 30.1 | Very low | 35.6 | Very low | 131 Ų | 131 | 148.6 Ų | 148.6 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 129.6 | 164 | -167.2 | 0 | 0 | 0 | 0 | 109.8 | P547 | P547-C549 PolarHBondContact O-N 3.49Š|
| 550 | Q | 34.1 | Very low | 35.7 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 157.6 | -179.1 | -68 | -172.8 | -2.7 | 0 | 0 | 112.6 | | |
| 551 | K | 33.7 | Very low | 36.4 | Very low | 188 Ų | 188 | 150.5 Ų | 150.5 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | | | trans | 81.1 | 94.2 | 166.6 | -152.4 | 172.3 | -169.2 | 173 | 0 | 115.5 | | |
| 552 | A | 34 | Very low | 36.7 | Very low | 103 Ų | 103 | 150.1 Ų | 150.1 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | | | trans | -73.5 | 145.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 553 | Y | 39.1 | Very low | 36.8 | Very low | 203 Ų | 203 | 151.8 Ų | 151.8 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | | | trans | -151.1 | 114.1 | 158.4 | 41.4 | -88.2 | 0 | 0 | 0 | 111.6 | | |
| 554 | N | 37.1 | Very low | 37 | Very low | 158 Ų | 158 | 151.3 Ų | 151.3 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | | | trans | 22.1 | 99.4 | 162.9 | -60.7 | -61 | 0 | 0 | 0 | 119.1 | N556 | N554-N556 PolarHBondContact O-N 2.99Š|
| 555 | L | 35.9 | Very low | 36.6 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | | | trans | -74.8 | 115.9 | 161.6 | -74.9 | 162.6 | 0 | 0 | 0 | 110.6 | | |
| 556 | N | 39.5 | Very low | 36.6 | Very low | 150 Ų | 150 | 150.4 Ų | 150.4 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | | | trans | -159.5 | 80.6 | 167.9 | -98.2 | -54.1 | 0 | 0 | 0 | 111.8 | N554 | N554-N556 PolarHBondContact O-N 2.99Š|
| 557 | R | 36.8 | Very low | 36.6 | Very low | 247 Ų | 247 | 147.4 Ų | 147.4 | 93% | 0.932 | 82% | 0.817 | S | S | * | * | | | trans | -164.9 | 149.3 | 155.6 | -112.3 | 167.9 | -158.9 | -84.6 | -2.5 | 111.7 | | |
| 558 | T | 36.5 | Very low | 36.4 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | | | trans | -75.1 | 158.2 | 174.8 | 40.3 | 0 | 0 | 0 | 0 | 112 | S560 | T558-S560 PolarHBondContact O-N 3.01Š|
| 559 | P | 36 | Very low | 36.4 | Very low | 132 Ų | 132 | 146.9 Ų | 146.9 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | | | trans | -63.7 | 134.4 | 174.2 | 27.4 | -34.6 | 0 | 0 | 0 | 110.6 | | |
| 560 | S | 34.8 | Very low | 37.1 | Very low | 105 Ų | 105 | 147.1 Ų | 147.1 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | | | trans | -125.9 | 133.6 | -180 | -175.7 | 0 | 0 | 0 | 0 | 110.6 | T558 V562 | T558-S560 PolarHBondContact O-N 3.01Å; S560-V562 PolarHBondContact O-N 2.57Å |
| 561 | T | 44.9 | Very low | 37.1 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | | | trans | -93.8 | 77.2 | -170.6 | 53.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 562 | V | 44.5 | Very low | 37 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 66% | 0.655 | 82% | 0.819 | S | S | * | * | | | trans | -137.9 | 134.2 | 173.2 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | S560 | S560-V562 PolarHBondContact O-N 2.57Š|
| 563 | T | 46.8 | Very low | 36.9 | Very low | 138 Ų | 138 | 149.1 Ų | 149.1 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | | | trans | -72.7 | 125.9 | 173 | 41.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 564 | L | 38.4 | Very low | 36.5 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | | | trans | -106 | 105.5 | 176.7 | -69.2 | -177.8 | 0 | 0 | 0 | 112.1 | | |
| 565 | N | 34.2 | Very low | 36.1 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | | | trans | -52.5 | 131.7 | 160.7 | 173.2 | 25.9 | 0 | 0 | 0 | 110.2 | | |
| 566 | N | 31.4 | Very low | 36.1 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | | | trans | -123.9 | 98.7 | -175.3 | -166.4 | 4.2 | 0 | 0 | 0 | 110.8 | | |
| 567 | N | 34.7 | Very low | 35.5 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | | | trans | -150.7 | 111.1 | 177.4 | -160 | -10.7 | 0 | 0 | 0 | 109.8 | | |
| 568 | S | 32.1 | Very low | 35 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | trans | -160.6 | 117.3 | -179.8 | -76.9 | 0 | 0 | 0 | 0 | 111 | | |
| 569 | A | 29.8 | Very low | 34.8 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | | | trans | -88.5 | 147.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 570 | P | 45.5 | Very low | 34.5 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | | | trans | -74.9 | 137.9 | -179.8 | 30.2 | -34.5 | 0 | 0 | 0 | 112.2 | | |
| 571 | A | 32.7 | Very low | 34.3 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | -105 | 150.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 572 | N | 32.9 | Very low | 33.6 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | | | trans | -74.8 | 137.3 | -173.6 | -113.8 | -59.4 | 0 | 0 | 0 | 114.2 | | |
| 573 | R | 31.2 | Very low | 32.9 | Very low | 246 Ų | 246 | 142 Ų | 142 | 93% | 0.928 | 79% | 0.791 | S | S | * | * | | | trans | -171.2 | 149 | 148.7 | -101.4 | 176.5 | -171.1 | -168.6 | 2 | 108.4 | | |
| 574 | A | 30.9 | Very low | 32.2 | Very low | 82 Ų | 82 | 142.1 Ų | 142.1 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | cis | 157.6 | 119.1 | -28.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 575 | N | 27.7 | Very low | 32 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | trans | 48 | 117.7 | 162.4 | -65.1 | -8.6 | 0 | 0 | 0 | 121.6 | | |
| 576 | Q | 36.2 | Very low | 31.8 | Very low | 192 Ų | 192 | 144.9 Ų | 144.9 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | | | | -125.1 | 167 | 123.5 | -82.6 | -65.3 | -2.3 | 0 | 0 | 108.6 | | |
| 577 | N | 28.3 | Very low | 31.8 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 66% | 0.663 | 78% | 0.776 | S | S | * | * | | | trans | -139.4 | -172.7 | -157.5 | -158.7 | -92.8 | 0 | 0 | 0 | 113.4 | | |
| 578 | F | 25.3 | Very low | 31.5 | Very low | 191 Ų | 191 | 142.7 Ų | 142.7 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | 84.7 | 152.7 | 167.2 | -137.9 | -87.7 | 0 | 0 | 0 | 118.9 | | |
| 579 | D | 32.2 | Very low | 31.5 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 61% | 0.61 | 79% | 0.786 | S | S | * | * | | | | -157.3 | 167.4 | -68.6 | -135.4 | -48.9 | 0 | 0 | 0 | 111.6 | | |
| 580 | E | 29.8 | Very low | 31.7 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | 37.5 | 129.5 | 155.5 | -138.2 | 171.5 | 66.9 | 0 | 0 | 123.1 | | |
| 581 | M | 31.8 | Very low | 31.1 | Very low | 139 Ų | 139 | 148.7 Ų | 148.7 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | | | | 172.4 | 153.3 | 112.7 | -159.7 | 54.5 | 68.9 | 0 | 0 | 114.7 | | |
| 582 | E | 30.1 | Very low | 31 | Very low | 167 Ų | 167 | 151.3 Ų | 151.3 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | trans | -30.6 | 160.4 | -175.7 | -62.6 | 172.2 | 121.9 | 0 | 0 | 123.7 | | |
| 583 | G | 28.8 | Very low | 31 | Very low | 80 Ų | 80 | 154.1 Ų | 154.1 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | -171.8 | 66.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 584 | I | 32.1 | Very low | 31.4 | Very low | 139 Ų | 139 | 147.7 Ų | 147.7 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | trans | -64 | 137.9 | -171.2 | -44 | 168 | 0 | 0 | 0 | 115.7 | | |
| 585 | R | 33.7 | Very low | 31.2 | Very low | 209 Ų | 209 | 149 Ų | 149 | 79% | 0.789 | 77% | 0.773 | S | S | * | * | | | | 164.8 | 120 | 128.5 | -90.1 | -175.8 | -99.2 | -150.4 | -5.9 | 114.7 | | |
| 586 | E | 30.1 | Very low | 31.2 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | | | | 81.5 | 139.2 | 96.6 | -72.6 | 180 | 142.5 | 0 | 0 | 115.9 | | |
| 587 | T | 31.3 | Very low | 31 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | cis | -153.6 | 150.4 | -18.5 | 41.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 588 | S | 29.2 | Very low | 31.7 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | 178.6 | 148.2 | 140.3 | -83.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 589 | Q | 32.8 | Very low | 31.9 | Very low | 186 Ų | 186 | 141.2 Ų | 141.2 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | | | trans | -126.3 | 155.5 | -175.4 | -61 | 176 | -3.2 | 0 | 0 | 111.1 | | |
| 590 | V | 32.9 | Very low | 32.5 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | | | trans | 173.1 | 104.9 | 133.5 | 151.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 591 | I | 32.8 | Very low | 32.5 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | | 12.6 | 128.5 | 126.6 | -69.6 | 167.5 | 0 | 0 | 0 | 115.8 | | |
| 592 | L | 30.5 | Very low | 32.5 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | cis | -158.8 | -145.1 | 7.4 | -132.1 | 179.9 | 0 | 0 | 0 | 111.8 | | |
| 593 | R | 34 | Very low | 33 | Very low | 224 Ų | 224 | 138.4 Ų | 138.4 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | -147.7 | 162.4 | 175.9 | -113.8 | 175.8 | -175.8 | 162.7 | 1.9 | 107.4 | | |
| 594 | P | 39.8 | Very low | 33.2 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | | | | -155.8 | 173.9 | 65.3 | 40.6 | -19.4 | 0 | 0 | 0 | 118.8 | | |
| 595 | S | 25 | Very low | 33.5 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | 61.7 | 144.8 | 153.4 | 40.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 596 | S | 28.8 | Very low | 33.6 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | cis | -167.3 | 135.3 | -5.2 | 46.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 597 | S | 32.8 | Very low | 33.6 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | 59.1 | 154.9 | 148.1 | -122.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 598 | P | 41.8 | Very low | 33.8 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | cis | -125.3 | 174.6 | -36 | 29.6 | -10.3 | 0 | 0 | 0 | 113.6 | | |
| 599 | N | 30.5 | Very low | 34.2 | Very low | 156 Ų | 156 | 143 Ų | 143 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | | | trans | -90.4 | -170.8 | 173.3 | -64.7 | -18.6 | 0 | 0 | 0 | 111.3 | | |
| 600 | P | 43.1 | Very low | 34.2 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | | | | -133.7 | 163.7 | -60.4 | 37.6 | -22.9 | 0 | 0 | 0 | 114.1 | | |
| 601 | T | 31.5 | Very low | 34.2 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | -151 | 136.9 | 154.2 | 31.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 602 | T | 30.9 | Very low | 34.1 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | cis | 76.4 | 107.6 | 43.5 | -53.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 603 | I | 40.9 | Very low | 34.2 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | | | trans | -41.8 | 131.3 | 171.7 | -59.4 | 154.8 | 0 | 0 | 0 | 113.2 | | |
| 604 | Q | 31.9 | Very low | 34.4 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | trans | -163.3 | 143.5 | 139.3 | -109.3 | 160.8 | 33.7 | 0 | 0 | 110.7 | | |
| 605 | N | 39 | Very low | 33.9 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | | | trans | -115.6 | 94.2 | -168.4 | -62.2 | -18.8 | 0 | 0 | 0 | 110.3 | | |
| 606 | E | 35.3 | Very low | 34.1 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | trans | -108.2 | 104.6 | -167.9 | -77.8 | -67.6 | 129.1 | 0 | 0 | 114.4 | | |
| 607 | N | 30.6 | Very low | 34.3 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 62% | 0.62 | 77% | 0.765 | S | S | * | * | | | trans | 70.5 | 131.3 | 133.2 | -85.3 | -56.5 | 0 | 0 | 0 | 125.2 | | |
| 608 | L | 35.8 | Very low | 34.4 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | | | trans | 63.7 | 124.2 | 135.4 | -70.2 | 164.6 | 0 | 0 | 0 | 123.6 | | |
| 609 | K | 38.6 | Very low | 33.8 | Very low | 200 Ų | 200 | 149.9 Ų | 149.9 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | | | trans | -145 | 123 | 134 | -67.4 | -165.7 | 177.7 | 177.2 | 0 | 112.5 | | |
| 610 | S | 31.8 | Very low | 34 | Very low | 102 Ų | 102 | 147.2 Ų | 147.2 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | 43.7 | 123.7 | 154.9 | 52.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 611 | M | 32.3 | Very low | 33.3 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | | 61.1 | 133.7 | 69.3 | -66.8 | 179 | 58.3 | 0 | 0 | 114.5 | | |
| 612 | T | 30.8 | Very low | 33.4 | Very low | 98 Ų | 98 | 151.5 Ų | 151.5 | 60% | 0.601 | 76% | 0.764 | S | S | * | * | | | cis | -163.9 | 149.4 | 5 | 9.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 613 | H | 33.3 | Very low | 33.8 | Very low | 165 Ų | 165 | 155.2 Ų | 155.2 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | | | trans | 52.7 | 120.8 | 144.8 | -61.1 | -40.1 | 0 | 0 | 0 | 126.7 | | |
| 614 | K | 37.6 | Very low | 33.6 | Very low | 204 Ų | 204 | 156.4 Ų | 156.4 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | | | | 64.9 | 153.2 | 128.3 | -77.8 | -169.7 | 174.1 | -179.2 | 0 | 124.1 | | |
| 615 | R | 30.7 | Very low | 33.5 | Very low | 236 Ų | 236 | 152.8 Ų | 152.8 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | | | trans | 86.2 | 120.5 | 165.7 | -165.7 | 175.5 | -79.6 | 169 | -5.2 | 113.8 | | |
| 616 | S | 27.7 | Very low | 33.1 | Very low | 101 Ų | 101 | 155.3 Ų | 155.3 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | cis | 95 | 137.2 | 32.3 | -169.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 617 | Q | 34.5 | Very low | 33 | Very low | 153 Ų | 153 | 155.3 Ų | 155.3 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | | | trans | 76.7 | 103.3 | 171.9 | -68.1 | -85.9 | -19.6 | 0 | 0 | 120.5 | | |
| 618 | R | 34.2 | Very low | 34.3 | Very low | 217 Ų | 217 | 154.6 Ų | 154.6 | 82% | 0.819 | 77% | 0.774 | S | S | * | * | | | | 70.3 | 129.9 | 114.6 | -159.7 | -177.6 | -167.9 | -173.8 | 6 | 122 | | |
| 619 | S | 28.9 | Very low | 34.9 | Very low | 105 Ų | 105 | 153.6 Ų | 153.6 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | 71.7 | 159.4 | 159.2 | -97 | 0 | 0 | 0 | 0 | 117.6 | | |
| 620 | S | 33.8 | Very low | 34.7 | Very low | 99 Ų | 99 | 151.9 Ų | 151.9 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | cis | -161.3 | 153.8 | 7.3 | 22 | 0 | 0 | 0 | 0 | 114 | | |
| 621 | Y | 30.1 | Very low | 34.8 | Very low | 190 Ų | 190 | 153.6 Ų | 153.6 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | | | trans | 44.4 | 127.3 | 148.2 | -80.1 | -82.7 | 0 | 0 | 0 | 123.2 | R623 | Y621-R623 HydrophobicContact CD1-CG 4.47Š|
| 622 | T | 33.5 | Very low | 34.7 | Very low | 148 Ų | 148 | 154.5 Ų | 154.5 | 91% | 0.908 | 77% | 0.773 | S | S | * | * | | | | -139.3 | 156.5 | 126.2 | 31.5 | 0 | 0 | 0 | 0 | 110 | | |
| 623 | R | 38.4 | Very low | 34.7 | Very low | 207 Ų | 207 | 154.1 Ų | 154.1 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | | | trans | -120.3 | 165.7 | 177.7 | -74.3 | -169 | -177.6 | -145.9 | 5.4 | 110.8 | Y621 | Y621-R623 HydrophobicContact CD1-CG 4.47Š|
| 624 | L | 36.8 | Very low | 34.5 | Very low | 167 Ų | 167 | 150.8 Ų | 150.8 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | 132.9 | 151.9 | 139.9 | -69.8 | 165.6 | 0 | 0 | 0 | 112.1 | | |
| 625 | S | 29.1 | Very low | 34.2 | Very low | 92 Ų | 92 | 145.6 Ų | 145.6 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | | | cis | -177.3 | 117.1 | -30.9 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 626 | K | 31.6 | Very low | 34.3 | Very low | 202 Ų | 202 | 139.8 Ų | 139.8 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | | | trans | -163.8 | 148.6 | 153.1 | -146.2 | 67.3 | -178.3 | 174.9 | 0 | 111.9 | | |
| 627 | D | 33 | Very low | 34.6 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | trans | -117 | 170.2 | -170.2 | -88.5 | -46.9 | 0 | 0 | 0 | 112.5 | | |
| 628 | P | 57 | Low | 34.7 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 66% | 0.662 | 78% | 0.778 | S | S | * | * | | | trans | -96.9 | -158.8 | -150.4 | 39.3 | -37.9 | 0 | 0 | 0 | 115.2 | | |
| 629 | P | 49.6 | Very low | 34.7 | Very low | 126 Ų | 126 | 135 Ų | 135 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | | -133.1 | 166.1 | 100.2 | 39.8 | -31.8 | 0 | 0 | 0 | 116 | | |
| 630 | E | 33.5 | Very low | 35.1 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 77% | 0.771 | 78% | 0.776 | S | S | * | * | | | trans | -76.1 | -179.5 | 172.1 | -57.6 | 168.1 | 98.2 | 0 | 0 | 111.4 | | |
| 631 | L | 33.9 | Very low | 35.1 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | | | cis | -149.3 | 153.1 | 24 | -70.8 | 158 | 0 | 0 | 0 | 111.3 | | |
| 632 | H | 31.5 | Very low | 35.4 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | | | | -178.6 | 112.8 | 117.3 | -100.7 | -71.1 | 0 | 0 | 0 | 113.9 | | |
| 633 | A | 29.6 | Very low | 35.5 | Very low | 90 Ų | 90 | 132.8 Ų | 132.8 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | | | trans | 45.2 | 111.7 | 144.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 634 | A | 29.3 | Very low | 35.5 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | | 87.8 | 126.4 | 119.7 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 635 | A | 32.3 | Very low | 35.8 | Very low | 94 Ų | 94 | 133 Ų | 133 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | trans | 67.4 | 150.4 | 147.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 636 | S | 32 | Very low | 37 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | cis | -166.9 | 151.1 | -22.2 | -94.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 637 | S | 34.2 | Very low | 37.9 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | -137.3 | 164.1 | 164.9 | -46.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 638 | E | 36.3 | Very low | 38.5 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | cis | -163.8 | 173.1 | 6.8 | -145 | 165.3 | 115.8 | 0 | 0 | 111 | | |
| 639 | S | 34.9 | Very low | 38 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | | | trans | 72.9 | 122.5 | 152.9 | 83.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 640 | T | 36.3 | Very low | 37.7 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | | 54 | 140.6 | 98.9 | 69.8 | 0 | 0 | 0 | 0 | 117 | | |
| 641 | G | 34.8 | Very low | 37.9 | Very low | 61 Ų | 61 | 140.6 Ų | 140.6 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | | | cis | 159.3 | 165.4 | -0.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 642 | F | 35.3 | Very low | 38.1 | Very low | 228 Ų | 228 | 140.8 Ų | 140.8 | 100% | 1 | 81% | 0.809 | S | S | * | * | | | trans | 65.7 | 151.9 | -172.9 | -60.6 | -92.6 | 0 | 0 | 0 | 115.1 | | |
| 643 | G | 36.5 | Very low | 38.5 | Very low | 67 Ų | 67 | 138.3 Ų | 138.3 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | | | cis | 175.7 | -157.7 | -3.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 644 | E | 38.8 | Very low | 39 | Very low | 189 Ų | 189 | 141.2 Ų | 141.2 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | | | trans | 78.4 | 116.6 | 167.1 | -164.6 | 163.3 | -145.2 | 0 | 0 | 119 | | |
| 645 | E | 42.7 | Very low | 39.6 | Very low | 189 Ų | 189 | 144 Ų | 144 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | | | trans | -139.5 | 124 | 158.1 | 66.5 | -174.1 | 133.9 | 0 | 0 | 109.8 | | |
| 646 | R | 52.8 | Low | 40.1 | Very low | 198 Ų | 198 | 147.3 Ų | 147.3 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | | | trans | -151.4 | 124.3 | 171.2 | -75.1 | -166 | 176 | -84.7 | -9.2 | 112.6 | | |
| 647 | E | 51.6 | Low | 40.7 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 69% | 0.687 | 81% | 0.813 | S | S | * | * | | | trans | 65.4 | 117.4 | 139.2 | -63.6 | 167.1 | -131.5 | 0 | 0 | 120.7 | | |
| 648 | S | 45.4 | Very low | 41.2 | Very low | 104 Ų | 104 | 152.8 Ų | 152.8 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | | | trans | 73.8 | 119.9 | 138.7 | -53.6 | 0 | 0 | 0 | 0 | 121 | | |
| 649 | I | 45.7 | Very low | 41.6 | Very low | 159 Ų | 159 | 151.5 Ų | 151.5 | 82% | 0.815 | 82% | 0.82 | S | S | * | * | | | | 175.9 | 106.3 | 107.6 | -85.6 | 153.8 | 0 | 0 | 0 | 109.8 | | |
| 650 | L | 44.1 | Very low | 42.2 | Very low | 244 Ų | 244 | 156.8 Ų | 156.8 | 100% | 1.277 | 84% | 0.836 | S | S | * | * | | | trans | 164.4 | 0 | 137.7 | -93.8 | 163.5 | 0 | 0 | 0 | 111.2 | | |