| 1 | M | 45.1 | Very low | 38.3 | Very low | 227 Ų | 227 | 152.3 Ų | 152.3 | 100% | 1.118 | 78% | 0.78 | S | S | * | * | | | | 0 | 119.2 | 0 | -65.4 | 127.4 | 128.7 | 0 | 0 | 106.4 | | |
| 2 | Q | 35.5 | Very low | 38.5 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | | | | 60.1 | 122.5 | 65.5 | -61.7 | -172.6 | 14.4 | 0 | 0 | 110.8 | | |
| 3 | K | 38.9 | Very low | 38.9 | Very low | 177 Ų | 177 | 149.6 Ų | 149.6 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | cis | -134.3 | 148.3 | 13.7 | -65.5 | -176.2 | -178.1 | 177.7 | 0 | 110.3 | | |
| 4 | T | 36.8 | Very low | 38.7 | Very low | 114 Ų | 114 | 152.4 Ų | 152.4 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | | | | 55.9 | 121 | 82.4 | -23.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 5 | T | 47.3 | Very low | 38.3 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | | | | -171.7 | 161.2 | 70.8 | -69 | 0 | 0 | 0 | 0 | 109.3 | | |
| 6 | Y | 32.9 | Very low | 38.1 | Very low | 210 Ų | 210 | 142.3 Ų | 142.3 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | cis | -177 | 169.3 | -32.7 | -171.7 | -103.1 | 0 | 0 | 0 | 106.1 | | |
| 7 | Y | 37 | Very low | 37.9 | Very low | 194 Ų | 194 | 148.2 Ų | 148.2 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | | | trans | -99.2 | 145.9 | -177.5 | -111.5 | -101.9 | 0 | 0 | 0 | 113 | N9 | Y7-N9 HydrophobicContact CD1-CB 4.2Š|
| 8 | D | 34.8 | Very low | 37.9 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | | | trans | -172.2 | 136.6 | 131.1 | -151.8 | -110 | 0 | 0 | 0 | 109.2 | S10 | D8-S10 PolarHBondContact OD1-OG 3.42Š|
| 9 | N | 35.2 | Very low | 37.8 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | | | cis | 94.2 | 55.7 | 4.7 | -159.4 | 39.7 | 0 | 0 | 0 | 120.7 | Y7 | Y7-N9 HydrophobicContact CD1-CB 4.2Š|
| 10 | S | 37.6 | Very low | 37.7 | Very low | 103 Ų | 103 | 146 Ų | 146 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | | | trans | -160.2 | 149.1 | 149.1 | 40 | 0 | 0 | 0 | 0 | 112.4 | D8 | D8-S10 PolarHBondContact OD1-OG 3.42Š|
| 11 | A | 39.7 | Very low | 37.6 | Very low | 76 Ų | 76 | 147.4 Ų | 147.4 | 63% | 0.628 | 78% | 0.776 | S | S | * | * | | | cis | -168.6 | 153.1 | -20 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 12 | T | 41.4 | Very low | 37.2 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | | | trans | 60.8 | 159.1 | 153.3 | 54.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 13 | L | 43.7 | Very low | 37 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | | | cis | -163.6 | 146.7 | -15.3 | -107.1 | 163.1 | 0 | 0 | 0 | 104.4 | | |
| 14 | F | 36.5 | Very low | 36.7 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | | | cis | -140 | 154.7 | 32.8 | -104.2 | -102.4 | 0 | 0 | 0 | 108.8 | | |
| 15 | G | 32.7 | Very low | 36.7 | Very low | 72 Ų | 72 | 137.8 Ų | 137.8 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | | | | 72.7 | 121.1 | 68.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 16 | G | 34.3 | Very low | 36.1 | Very low | 71 Ų | 71 | 136.3 Ų | 136.3 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | | | cis | 139.4 | 129.1 | 20 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 17 | Y | 34.6 | Very low | 36.3 | Very low | 242 Ų | 242 | 131.3 Ų | 131.3 | 95% | 0.949 | 76% | 0.759 | S | S | * | * | | | | -162.7 | 165.2 | 68.4 | -100.2 | -96 | 0 | 0 | 0 | 112.9 | | |
| 18 | S | 38.9 | Very low | 36.4 | Very low | 92 Ų | 92 | 126.8 Ų | 126.8 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | | | trans | -79.5 | 173 | 174.6 | -44.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 19 | T | 35.8 | Very low | 36.4 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | | -171.6 | 130.5 | 65.5 | -117.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 20 | Y | 35.9 | Very low | 36.3 | Very low | 189 Ų | 189 | 126.1 Ų | 126.1 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | | | | 56.6 | 139.9 | 92.8 | -60.8 | -51.4 | 0 | 0 | 0 | 115.5 | | |
| 21 | Q | 34.8 | Very low | 36 | Very low | 175 Ų | 175 | 131.5 Ų | 131.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | cis | -153.7 | 177.2 | -1.4 | -141.7 | -175.6 | 25.1 | 0 | 0 | 111.7 | | |
| 22 | V | 37.1 | Very low | 35.7 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | trans | -117.4 | 135.2 | 169.8 | 169.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 23 | Q | 31.4 | Very low | 35.3 | Very low | 172 Ų | 172 | 129 Ų | 129 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -176.5 | 139.9 | 134 | -169.3 | 59.6 | 7.3 | 0 | 0 | 110.3 | | |
| 24 | G | 33.2 | Very low | 35 | Very low | 52 Ų | 52 | 132.3 Ų | 132.3 | 54% | 0.536 | 80% | 0.799 | S | S | . | * | | | trans | -103.3 | -175.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 25 | T | 35.1 | Very low | 35 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | | | trans | 171.1 | 166.8 | 151.3 | 24.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 26 | A | 34.4 | Very low | 35.3 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | | | trans | 70.6 | 146.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 27 | A | 37.8 | Very low | 36.3 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -120.2 | 155.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 28 | A | 38.6 | Very low | 36.4 | Very low | 99 Ų | 99 | 128 Ų | 128 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -142.9 | 144.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 29 | N | 35.9 | Very low | 36.2 | Very low | 176 Ų | 176 | 129.3 Ų | 129.3 | 94% | 0.941 | 80% | 0.796 | S | S | * | * | | | trans | -86.3 | 152.9 | 173.2 | -51.7 | -72.6 | 0 | 0 | 0 | 109.6 | | |
| 30 | G | 31.9 | Very low | 36.3 | Very low | 74 Ų | 74 | 130.3 Ų | 130.3 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | | | trans | 168.8 | 99.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 31 | F | 32.8 | Very low | 36.3 | Very low | 216 Ų | 216 | 126 Ų | 126 | 95% | 0.947 | 80% | 0.798 | S | S | * | * | | | trans | 54.5 | 101.1 | 131.2 | -120.3 | -98.1 | 0 | 0 | 0 | 121.4 | | |
| 32 | G | 33.6 | Very low | 36.4 | Very low | 76 Ų | 76 | 126.9 Ų | 126.9 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | | | | 41.3 | 114.6 | 122.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 33 | G | 33 | Very low | 36.3 | Very low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | | | trans | -153.2 | 131.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 34 | Y | 37.5 | Very low | 36.5 | Very low | 208 Ų | 208 | 129.2 Ų | 129.2 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | | | trans | -125.1 | 160.9 | -169.5 | 46.9 | -97.5 | 0 | 0 | 0 | 112.2 | | |
| 35 | D | 36.6 | Very low | 37.9 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | | | trans | 57.6 | 110.3 | 166.3 | -62.9 | -60.7 | 0 | 0 | 0 | 120.1 | | |
| 36 | A | 39 | Very low | 38.8 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | | | trans | -145.8 | 113.1 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 37 | P | 54.6 | Low | 38.6 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | trans | -113.7 | 173.9 | -166.5 | 42.8 | -37.3 | 0 | 0 | 0 | 115.5 | | |
| 38 | V | 36.4 | Very low | 38.3 | Very low | 122 Ų | 122 | 136 Ų | 136 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | | | trans | 76.2 | 100.4 | 153.2 | 168.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 39 | T | 35.7 | Very low | 38 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | | | trans | 40.1 | 141.8 | 134.8 | 71.2 | 0 | 0 | 0 | 0 | 123.2 | | |
| 40 | V | 37.2 | Very low | 38.8 | Very low | 141 Ų | 141 | 133 Ų | 133 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | | | | -168.8 | 148.9 | 104.4 | 142.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 41 | S | 35.3 | Very low | 38.9 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | | | trans | -99.8 | 155.3 | 178.8 | -50.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 42 | H | 36.6 | Very low | 38.9 | Very low | 194 Ų | 194 | 133.8 Ų | 133.8 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | | | trans | -167.8 | -172.9 | 130.9 | -107.8 | -59.4 | 0 | 0 | 0 | 114.3 | | |
| 43 | H | 36.4 | Very low | 39.2 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | | | trans | -140 | 145.9 | -148.7 | -116 | -93 | 0 | 0 | 0 | 114.5 | | |
| 44 | Q | 34.5 | Very low | 39.3 | Very low | 177 Ų | 177 | 139 Ų | 139 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | | | trans | 72.6 | 159.7 | 158.1 | -78 | -156.4 | -17.5 | 0 | 0 | 122.1 | | |
| 45 | P | 62.8 | Low | 39.3 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | | | trans | -102.1 | -105.9 | -169.1 | 32.2 | -12.7 | 0 | 0 | 0 | 113.4 | | |
| 46 | P | 53.8 | Low | 39.3 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 59% | 0.591 | 76% | 0.762 | S | S | * | * | | | cis | -129.8 | -161.1 | -2.4 | 25 | 3.5 | 0 | 0 | 0 | 115.2 | | |
| 47 | F | 31.1 | Very low | 39.1 | Very low | 170 Ų | 170 | 135 Ų | 135 | 75% | 0.746 | 75% | 0.754 | S | S | * | * | | | trans | 72.8 | 155.7 | 169.8 | -67.3 | -90.3 | 0 | 0 | 0 | 118.8 | | |
| 48 | Q | 31.2 | Very low | 38.1 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | cis | -158.5 | -177.4 | -38.1 | -125.3 | -178.2 | 10.3 | 0 | 0 | 110.5 | | |
| 49 | S | 32.4 | Very low | 38 | Very low | 104 Ų | 104 | 142.2 Ų | 142.2 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | -93.5 | 178.4 | -176.6 | 59 | 0 | 0 | 0 | 0 | 114.3 | | |
| 50 | P | 51.7 | Low | 37.7 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | | | | -154.2 | 151.6 | 92.5 | 41.1 | -22.3 | 0 | 0 | 0 | 119.3 | | |
| 51 | T | 35.1 | Very low | 37.6 | Very low | 134 Ų | 134 | 146.8 Ų | 146.8 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | trans | 36.7 | 132.1 | 142.7 | 62.6 | 0 | 0 | 0 | 0 | 124.6 | | |
| 52 | H | 32.2 | Very low | 37.7 | Very low | 171 Ų | 171 | 146.7 Ų | 146.7 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | | | | -155.6 | 148 | 118.8 | -163.7 | -95.4 | 0 | 0 | 0 | 113.1 | | |
| 53 | L | 39.9 | Very low | 37.4 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | | | trans | -45 | 165.5 | 177 | -58.1 | 177.4 | 0 | 0 | 0 | 117.4 | | |
| 54 | D | 34.5 | Very low | 37.5 | Very low | 133 Ų | 133 | 141 Ų | 141 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | cis | -179.8 | -174.1 | -26.3 | -145.1 | -63.7 | 0 | 0 | 0 | 108.2 | | |
| 55 | V | 37.6 | Very low | 37.7 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | | | trans | 95.5 | 119 | 170.4 | -173.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 56 | D | 37.9 | Very low | 36.3 | Very low | 143 Ų | 143 | 144.7 Ų | 144.7 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | | | trans | -72.5 | 157 | -174.4 | -80.9 | -88.1 | 0 | 0 | 0 | 118.8 | | |
| 57 | S | 33.5 | Very low | 35.5 | Very low | 95 Ų | 95 | 145.9 Ų | 145.9 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | | | | 178 | 162.2 | 102.7 | 46.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 58 | Y | 33.8 | Very low | 35.7 | Very low | 208 Ų | 208 | 146.4 Ų | 146.4 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | | | trans | 80.8 | 48.3 | 167.9 | -62.2 | -74.3 | 0 | 0 | 0 | 121.4 | | |
| 59 | Q | 35.7 | Very low | 35.7 | Very low | 178 Ų | 178 | 141.3 Ų | 141.3 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | | 41.8 | 95.7 | 110 | -166.9 | -178.8 | 29.4 | 0 | 0 | 119.9 | | |
| 60 | R | 29.2 | Very low | 35.9 | Very low | 243 Ų | 243 | 143.6 Ų | 143.6 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | | | | -178.5 | 125.6 | 124 | -105.9 | 176.6 | -177.3 | -105.6 | -0.6 | 114.3 | | |
| 61 | S | 33.8 | Very low | 35.1 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | trans | -147.7 | 136.2 | 154.1 | -80 | 0 | 0 | 0 | 0 | 106.6 | | |
| 62 | A | 37.3 | Very low | 35 | Very low | 95 Ų | 95 | 144.7 Ų | 144.7 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | | 76.5 | 85.5 | 50.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 63 | C | 30.7 | Very low | 34.9 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 90% | 0.899 | 80% | 0.802 | S | S | * | * | | | trans | -136.4 | 148.3 | 165.8 | -70.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 64 | S | 38.9 | Very low | 34.8 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | | | trans | -121.6 | 147.3 | 179.5 | -70.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 65 | L | 38.6 | Very low | 34.7 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 88% | 0.88 | 82% | 0.818 | S | S | * | * | | | trans | 53.6 | 120.2 | 153.9 | -64.2 | 168.6 | 0 | 0 | 0 | 119.2 | | |
| 66 | Q | 33.3 | Very low | 34.6 | Very low | 202 Ų | 202 | 146.3 Ų | 146.3 | 94% | 0.944 | 82% | 0.815 | S | S | * | * | | | | -147.8 | 166.7 | 128.6 | -112.4 | 166.5 | 19.8 | 0 | 0 | 110.3 | | |
| 67 | S | 38 | Very low | 34.6 | Very low | 116 Ų | 116 | 146 Ų | 146 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | | | trans | -132 | 143.7 | -160.3 | -179.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 68 | L | 34.3 | Very low | 34.8 | Very low | 180 Ų | 180 | 149.4 Ų | 149.4 | 94% | 0.942 | 81% | 0.814 | S | S | * | * | | | trans | -175.4 | 151.5 | 164.5 | -95.1 | 158 | 0 | 0 | 0 | 106.6 | | |
| 69 | G | 31.7 | Very low | 34.9 | Very low | 63 Ų | 63 | 147.7 Ų | 147.7 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | | | cis | 165.9 | 101.7 | -8.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 70 | N | 36.8 | Very low | 35 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | | | trans | 66 | 148.6 | 164.7 | -83.1 | 11.7 | 0 | 0 | 0 | 122.9 | | |
| 71 | N | 34.9 | Very low | 35.2 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | 65.9 | 148.6 | 155.6 | -70.9 | -16.6 | 0 | 0 | 0 | 119.1 | | |
| 72 | S | 33.4 | Very low | 35.1 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | | | cis | -146.8 | 152.6 | -5.1 | 44.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 73 | G | 30.1 | Very low | 35.2 | Very low | 69 Ų | 69 | 143.1 Ų | 143.1 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | | | trans | -98.9 | 162.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 74 | H | 37.5 | Very low | 35.5 | Very low | 203 Ų | 203 | 143.1 Ų | 143.1 | 94% | 0.94 | 78% | 0.781 | S | S | * | * | | | trans | -150.4 | 156.3 | 154.4 | -115.1 | -83.4 | 0 | 0 | 0 | 111.6 | | |
| 75 | Q | 32.9 | Very low | 35.8 | Very low | 174 Ų | 174 | 145 Ų | 145 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | trans | -118.7 | 147.3 | -171.3 | 165.8 | -163.1 | 75.6 | 0 | 0 | 108.9 | | |
| 76 | Q | 34.3 | Very low | 35.5 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | trans | -170.1 | 138.2 | 142.6 | -154.6 | 123.1 | 12.4 | 0 | 0 | 115.2 | | |
| 77 | Q | 37.4 | Very low | 35.6 | Very low | 135 Ų | 135 | 138 Ų | 138 | 63% | 0.631 | 77% | 0.767 | S | S | * | * | | | trans | 11.4 | 132.9 | 151.1 | -76 | 153.5 | -17 | 0 | 0 | 122.2 | | |
| 78 | Q | 37.6 | Very low | 35.9 | Very low | 167 Ų | 167 | 138 Ų | 138 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | | | | 77.2 | 127.2 | 67.8 | -70.4 | -177.2 | 10.6 | 0 | 0 | 116 | | |
| 79 | L | 37.5 | Very low | 36 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 90% | 0.901 | 76% | 0.756 | S | S | * | * | | | trans | 159.2 | 160.4 | 148.2 | -107.4 | 66.9 | 0 | 0 | 0 | 108.3 | | |
| 80 | A | 37.7 | Very low | 36.4 | Very low | 82 Ų | 82 | 139.9 Ų | 139.9 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | cis | -167.7 | 160.6 | -42.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 81 | K | 31.8 | Very low | 36.5 | Very low | 187 Ų | 187 | 142.3 Ų | 142.3 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | trans | 69.1 | 118.4 | 148.3 | -83.3 | -170.2 | 172.4 | 178.5 | 0 | 123.8 | | |
| 82 | T | 32.8 | Very low | 37.2 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 64% | 0.638 | 76% | 0.76 | S | S | * | * | | | | 75.1 | 134.5 | 123.2 | 60.1 | 0 | 0 | 0 | 0 | 125.3 | | |
| 83 | K | 38.6 | Very low | 37.1 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | | | trans | 68.5 | 151.4 | 131.9 | -76.1 | -177.3 | 170.3 | -76.3 | 0 | 119 | | |
| 84 | E | 38.2 | Very low | 37.4 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | | | cis | -170 | 176.5 | -17.4 | -127.6 | 159.1 | -154.9 | 0 | 0 | 109.9 | | |
| 85 | L | 43.8 | Very low | 37.9 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | | | trans | 71.6 | 127.9 | 159.9 | -67.5 | 156.3 | 0 | 0 | 0 | 117.3 | | |
| 86 | N | 34.1 | Very low | 39 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 86% | 0.856 | 74% | 0.741 | S | S | * | * | | | | 79 | 127.9 | 80.7 | -164.4 | 26.5 | 0 | 0 | 0 | 113.6 | | |
| 87 | G | 35.3 | Very low | 39 | Very low | 65 Ų | 65 | 135.9 Ų | 135.9 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | | | cis | 176.4 | -178.3 | -3.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 88 | S | 44 | Very low | 38.9 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | | | trans | -19 | 136.4 | 176.6 | -163.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 89 | C | 34.7 | Very low | 39.1 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 71% | 0.709 | 74% | 0.744 | S | S | * | * | | | | 156.9 | 160 | 99.7 | 71.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 90 | M | 40.3 | Very low | 39.8 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | | | trans | 78.2 | 153.5 | 154.5 | -68.2 | -57.5 | 101.3 | 0 | 0 | 124 | | |
| 91 | R | 39.7 | Very low | 39.6 | Very low | 203 Ų | 203 | 135.4 Ų | 135.4 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | | | trans | -143.5 | 141.4 | -168.5 | 179.1 | -131.7 | 176.8 | 179.9 | -0.1 | 109.9 | | |
| 92 | P | 50 | Low | 39.7 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | | | | -133.7 | -163.5 | 122.9 | 32.8 | -14.7 | 0 | 0 | 0 | 109.8 | | |
| 93 | S | 31.7 | Very low | 39.8 | Very low | 93 Ų | 93 | 135.5 Ų | 135.5 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | | | cis | -148.9 | 178.2 | 9.4 | -52 | 0 | 0 | 0 | 0 | 111.2 | | |
| 94 | L | 35 | Very low | 39.6 | Very low | 155 Ų | 155 | 134 Ų | 134 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | | | trans | -143.4 | -173.9 | 155.8 | -68.8 | 175.5 | 0 | 0 | 0 | 106.2 | | |
| 95 | P | 49.4 | Very low | 40 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | | | cis | -132.8 | -138.2 | -4.5 | 45 | -24.5 | 0 | 0 | 0 | 110.7 | | |
| 96 | P | 55.2 | Low | 40.4 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | | | cis | -129.6 | 167.2 | -35.1 | 37.3 | -20.9 | 0 | 0 | 0 | 116.2 | | |
| 97 | E | 33.6 | Very low | 41.4 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | | | trans | 52.6 | 154.4 | 147.2 | -69.9 | -163.8 | 90.6 | 0 | 0 | 122.8 | | |
| 98 | H | 36.3 | Very low | 42 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | cis | -157.2 | 170.4 | 43 | -156.2 | -86.6 | 0 | 0 | 0 | 114.5 | | |
| 99 | H | 41.1 | Very low | 42.6 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | | | trans | -109.6 | 163.9 | 179.6 | -55.2 | -78.1 | 0 | 0 | 0 | 113.9 | | |
| 100 | P | 52.6 | Low | 43.5 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | | | | -150 | -164.8 | 100.6 | 40.5 | -21.9 | 0 | 0 | 0 | 115.6 | | |
| 101 | A | 33.4 | Very low | 43.2 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | -147.6 | -171.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 102 | S | 35.1 | Very low | 42.9 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | cis | -167.5 | -167.4 | 16.1 | -161.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 103 | Q | 33 | Very low | 42.1 | Very low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | | | trans | 75.7 | 160 | 173.6 | -37.8 | -169.5 | 14.5 | 0 | 0 | 116.2 | | |
| 104 | V | 34.9 | Very low | 42.3 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | cis | -140.2 | 161.4 | 8.5 | -179.7 | 0 | 0 | 0 | 0 | 110 | | |
| 105 | S | 46.1 | Very low | 42.1 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | -119.1 | 149.6 | 172.1 | -62.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 106 | P | 54 | Low | 41.4 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | | | trans | -89.5 | 164.6 | -177.7 | 35.6 | -36.3 | 0 | 0 | 0 | 115.6 | | |
| 107 | P | 53.3 | Low | 40.3 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | | | trans | -103.5 | 176 | -165.1 | 40.4 | -37.6 | 0 | 0 | 0 | 117.1 | | |
| 108 | L | 47.7 | Very low | 40.2 | Very low | 170 Ų | 170 | 134.5 Ų | 134.5 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | | | trans | -108.3 | 156.1 | 175.3 | -77.4 | 160.8 | 0 | 0 | 0 | 112.4 | | |
| 109 | P | 56.7 | Low | 40 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 160.3 | -179.6 | 33 | -35.9 | 0 | 0 | 0 | 114.5 | | |
| 110 | P | 53.8 | Low | 39.7 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 170.5 | -167 | 36.8 | -38 | 0 | 0 | 0 | 115.8 | | |
| 111 | K | 34.1 | Very low | 38.9 | Very low | 209 Ų | 209 | 133.6 Ų | 133.6 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 147.6 | 163.1 | -66.5 | 177.2 | 178.1 | 176.5 | 0 | 110.2 | | |
| 112 | S | 34.4 | Very low | 39 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | trans | -118.4 | 157.7 | 167.4 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 113 | S | 33.1 | Very low | 38.8 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | trans | -125.2 | 145.9 | -168.6 | 47.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 114 | N | 34.9 | Very low | 38.7 | Very low | 171 Ų | 171 | 130 Ų | 130 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | | | trans | 39.9 | 117.3 | 154 | -62.7 | -3.6 | 0 | 0 | 0 | 120.7 | | |
| 115 | G | 32.1 | Very low | 38.8 | Very low | 83 Ų | 83 | 130 Ų | 130 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | | | trans | -147.6 | 147 | 153.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 116 | N | 33.6 | Very low | 38.2 | Very low | 158 Ų | 158 | 129.9 Ų | 129.9 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | | | trans | -136.1 | 175.2 | -170.3 | -172.1 | 21.7 | 0 | 0 | 0 | 111.4 | | |
| 117 | V | 32.3 | Very low | 37.2 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | | | trans | 105.4 | 95.4 | 162.7 | -174.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 118 | T | 32.8 | Very low | 36.4 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 69% | 0.693 | 81% | 0.809 | S | S | * | * | | | | 57.9 | 137.8 | 120.8 | -33 | 0 | 0 | 0 | 0 | 118.6 | | |
| 119 | T | 31.2 | Very low | 35.8 | Very low | 110 Ų | 110 | 124 Ų | 124 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | | | | -176.9 | 158.4 | 64.1 | -39.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 120 | Q | 35.2 | Very low | 34.8 | Very low | 166 Ų | 166 | 124 Ų | 124 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | 76.6 | 149.5 | 160.3 | -52.8 | -167.3 | 48.2 | 0 | 0 | 119.3 | | |
| 121 | Q | 34.2 | Very low | 33.9 | Very low | 154 Ų | 154 | 124.2 Ų | 124.2 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | | | cis | -167.4 | 169.1 | -28.1 | -172.3 | 169.1 | -7.2 | 0 | 0 | 109.9 | | |
| 122 | L | 35.5 | Very low | 33.9 | Very low | 166 Ų | 166 | 118.4 Ų | 118.4 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | trans | 84.1 | 137.4 | 167.4 | -49.4 | 169.8 | 0 | 0 | 0 | 116.5 | | |
| 123 | G | 31.2 | Very low | 34.1 | Very low | 76 Ų | 76 | 122.1 Ų | 122.1 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | | | cis | 173.9 | 150 | -10.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 124 | G | 32.1 | Very low | 33.9 | Very low | 73 Ų | 73 | 122.7 Ų | 122.7 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | 91.2 | 131 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 125 | S | 35.6 | Very low | 33.8 | Very low | 129 Ų | 129 | 117.7 Ų | 117.7 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | | | cis | 77 | 129.1 | 28.1 | -49.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 126 | A | 35.1 | Very low | 35.1 | Very low | 107 Ų | 107 | 119.4 Ų | 119.4 | 88% | 0.884 | 77% | 0.772 | S | S | * | * | | | cis | -154.5 | 178.4 | 1.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 127 | G | 33 | Very low | 35.1 | Very low | 70 Ų | 70 | 119.7 Ų | 119.7 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | cis | 159.8 | 152.4 | -8.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 128 | S | 35 | Very low | 35.3 | Very low | 128 Ų | 128 | 123.8 Ų | 123.8 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | | | trans | 58.6 | 157.6 | 169.7 | -74.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 129 | S | 36.1 | Very low | 35.2 | Very low | 101 Ų | 101 | 123.9 Ų | 123.9 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | cis | -164.7 | -163.6 | -19.7 | 54.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 130 | T | 35.1 | Very low | 35.4 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | cis | -163.6 | 142.8 | 7.5 | -6.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 131 | V | 35.3 | Very low | 35.2 | Very low | 130 Ų | 130 | 122.9 Ų | 122.9 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | | | | 56.3 | 137.1 | 108.7 | 167.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 132 | S | 34.7 | Very low | 35.1 | Very low | 88 Ų | 88 | 120 Ų | 120 | 62% | 0.615 | 79% | 0.787 | S | S | * | * | | | cis | -177.5 | 161 | -11.7 | -92.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 133 | K | 37 | Very low | 34.9 | Very low | 205 Ų | 205 | 116.9 Ų | 116.9 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | | | trans | 66.4 | 167.2 | 152.6 | -70.2 | 167 | -177.8 | 177.9 | 0 | 117.2 | | |
| 134 | S | 30.6 | Very low | 34.9 | Very low | 120 Ų | 120 | 118.1 Ų | 118.1 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | | | cis | -152.1 | 169.6 | 10.8 | 43.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 135 | G | 31.5 | Very low | 34.8 | Very low | 67 Ų | 67 | 118.9 Ų | 118.9 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | | | trans | -112.4 | -147 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 136 | P | 60.6 | Low | 34.5 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | cis | -136.4 | -176.7 | -19.2 | 43.7 | -28 | 0 | 0 | 0 | 114.1 | | |
| 137 | N | 33.3 | Very low | 34.4 | Very low | 163 Ų | 163 | 119 Ų | 119 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | | | trans | 179.8 | 176.6 | 133.2 | -111.9 | -41 | 0 | 0 | 0 | 118.2 | | |
| 138 | K | 35.5 | Very low | 34.2 | Very low | 199 Ų | 199 | 120.3 Ų | 120.3 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | | | trans | -116.5 | 156.6 | -177 | -65 | 176.5 | 174.5 | 178.1 | 0 | 115 | | |
| 139 | S | 32.3 | Very low | 34 | Very low | 116 Ų | 116 | 119.8 Ų | 119.8 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | | | trans | -178 | 174.9 | 144.4 | 51.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 140 | S | 33.8 | Very low | 33.8 | Very low | 98 Ų | 98 | 121.1 Ų | 121.1 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | | | | -167.3 | 152.1 | -66.7 | 52 | 0 | 0 | 0 | 0 | 111.2 | | |
| 141 | N | 32.4 | Very low | 33.7 | Very low | 157 Ų | 157 | 120.4 Ų | 120.4 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | | | trans | 66.7 | 158.8 | 166.9 | -69 | 4.4 | 0 | 0 | 0 | 117.6 | | |
| 142 | S | 31.7 | Very low | 33.7 | Very low | 92 Ų | 92 | 119.7 Ų | 119.7 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | | | cis | -167.2 | 171.5 | -21.3 | 52.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 143 | S | 32 | Very low | 33.8 | Very low | 101 Ų | 101 | 120.8 Ų | 120.8 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | trans | 40.5 | 138.7 | 144.4 | 57 | 0 | 0 | 0 | 0 | 121.9 | | |
| 144 | S | 31.1 | Very low | 33.8 | Very low | 103 Ų | 103 | 116.7 Ų | 116.7 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | cis | -175.2 | 162.1 | 6.2 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 145 | S | 30.1 | Very low | 34.1 | Very low | 88 Ų | 88 | 116.5 Ų | 116.5 | 62% | 0.615 | 76% | 0.762 | S | S | * | * | | | trans | 58.2 | 117.9 | 136.1 | 67.1 | 0 | 0 | 0 | 0 | 124 | | |
| 146 | T | 29.2 | Very low | 34.7 | Very low | 130 Ų | 130 | 119 Ų | 119 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | | | | 80.2 | 155.4 | 124.6 | 55.4 | 0 | 0 | 0 | 0 | 123.6 | | |
| 147 | S | 31.6 | Very low | 33.6 | Very low | 110 Ų | 110 | 121.2 Ų | 121.2 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | 69.6 | 148.6 | 167.5 | 68.2 | 0 | 0 | 0 | 0 | 118.8 | | |
| 148 | S | 29.6 | Very low | 34.3 | Very low | 97 Ų | 97 | 119.4 Ų | 119.4 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | | | | 166.3 | 135.7 | -50.9 | 49.4 | 0 | 0 | 0 | 0 | 108 | | |
| 149 | S | 30.4 | Very low | 34.8 | Very low | 117 Ų | 117 | 115.5 Ų | 115.5 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | 60.7 | 164.6 | 177 | 81 | 0 | 0 | 0 | 0 | 113.9 | | |
| 150 | T | 33 | Very low | 35 | Very low | 129 Ų | 129 | 116 Ų | 116 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | cis | -127 | 173 | 12.6 | 42.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 151 | S | 32.2 | Very low | 35.9 | Very low | 99 Ų | 99 | 117 Ų | 117 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | trans | -60.1 | 152.4 | -179.4 | 49.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 152 | S | 34.6 | Very low | 36.8 | Very low | 115 Ų | 115 | 114.5 Ų | 114.5 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | 68.6 | 156.1 | 147.8 | 75.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 153 | S | 36.6 | Very low | 37.9 | Very low | 112 Ų | 112 | 117.1 Ų | 117.1 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | | | cis | -142 | 172.1 | 15.2 | 59.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 154 | S | 37.6 | Very low | 39.2 | Very low | 119 Ų | 119 | 116.8 Ų | 116.8 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | | | trans | -81.1 | 132.5 | -179.1 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 155 | S | 36.4 | Very low | 40.7 | Very low | 116 Ų | 116 | 120 Ų | 120 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | trans | -138.5 | 116.9 | 156.6 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 156 | S | 44.6 | Very low | 42.3 | Very low | 120 Ų | 120 | 123.2 Ų | 123.2 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | trans | -90.7 | 131.1 | 179 | 53.1 | 0 | 0 | 0 | 0 | 111 | | |
| 157 | L | 38.3 | Very low | 44.3 | Very low | 165 Ų | 165 | 120.4 Ų | 120.4 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | | | trans | -123.5 | 136.6 | 167.4 | -69.8 | 175.7 | 0 | 0 | 0 | 110.4 | | |
| 158 | P | 46.8 | Very low | 46.3 | Very low | 124 Ų | 124 | 120.6 Ų | 120.6 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 148.2 | -168.9 | 32.3 | -36.2 | 0 | 0 | 0 | 113.6 | | |
| 159 | S | 45.6 | Very low | 48.5 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 121 | 172 | 44.8 | 0 | 0 | 0 | 0 | 111.6 | P161 | S159-P161 WeakPolarHBondContact O-CD 3.49Š|
| 160 | N | 37.6 | Very low | 50.5 | Low | 127 Ų | 127 | 124.4 Ų | 124.4 | 68% | 0.679 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 118.8 | -173.9 | -176.3 | -13 | 0 | 0 | 0 | 112.7 | T162 | N160-T162 PolarHBondContact O-N 2.74Å; N160-T162 WeakPolarHBondContact OD1-CB 3.31Å; N160-T162 VanDerWaalsContact OD1-CG2 3.25Å; N160-T162 WeakPolarHBondContact OD1-CG2 3.28Å; N160-T162 PolarHBondContact OD1-OG1 2.91Å |
| 161 | P | 51.6 | Low | 52.5 | Low | 120 Ų | 120 | 121.2 Ų | 121.2 | 78% | 0.779 | 71% | 0.711 | S | S | * | * | | | trans | -98.1 | 51.4 | -171.4 | 39.1 | -35.7 | 0 | 0 | 0 | 114.3 | S159 | S159-P161 WeakPolarHBondContact O-CD 3.49Š|
| 162 | T | 52 | Low | 54.3 | Low | 104 Ų | 104 | 123 Ų | 123 | 64% | 0.638 | 71% | 0.706 | S | S | * | * | | | trans | -114.8 | 50.4 | -167.5 | 47.8 | 0 | 0 | 0 | 0 | 116.6 | N160 | N160-T162 PolarHBondContact O-N 2.74Å; N160-T162 WeakPolarHBondContact OD1-CB 3.31Å; N160-T162 VanDerWaalsContact OD1-CG2 3.25Å; N160-T162 WeakPolarHBondContact OD1-CG2 3.28Å; N160-T162 PolarHBondContact OD1-OG1 2.91Å |
| 163 | L | 55.9 | Low | 55.5 | Low | 147 Ų | 147 | 122.9 Ų | 122.9 | 77% | 0.77 | 69% | 0.693 | S | S | * | * | | | trans | -161.3 | 32.4 | 150.3 | -115.8 | 169.8 | 0 | 0 | 0 | 115.9 | K165 | L163-K165 VanDerWaalsContact C-N 3.28Å; L163-K165 HydrophobicContact CD2-CG 4.27Å; L163-K165 PolarHBondContact O-N 3.44Å |
| 164 | A | 58.5 | Low | 56.4 | Low | 93 Ų | 93 | 122.7 Ų | 122.7 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | | | trans | -69.7 | 81.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q166 | A164-Q166 PolarHBondContact O-N 3.28Š|
| 165 | K | 63.1 | Low | 57.2 | Low | 172 Ų | 172 | 125.7 Ų | 125.7 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | | | trans | -47.4 | 129.6 | 172 | -72.1 | -176.3 | 176.2 | -179.2 | 0 | 109.4 | L163 I167 | L163-K165 VanDerWaalsContact C-N 3.28Å; L163-K165 HydrophobicContact CD2-CG 4.27Å; L163-K165 PolarHBondContact O-N 3.44Å; K165-I167 VanDerWaalsContact O-CG1 3.28Å; K165-I167 WeakPolarHBondContact O-CG1 3.34Å; K165-I167 PolarHBondContact O-N 3.35Å |
| 166 | Q | 62.4 | Low | 57.9 | Low | 155 Ų | 155 | 128.8 Ų | 128.8 | 72% | 0.724 | 69% | 0.685 | S | S | * | * | | | trans | -53.3 | 93.5 | -171.5 | -73.2 | -69.4 | -13.4 | 0 | 0 | 112.8 | A164 F168 | A164-Q166 PolarHBondContact O-N 3.28Å; Q166-F168 WeakPolarHBondContact O-CD2 3.46Å; Q166-F168 PolarHBondContact O-N 3.11Å |
| 167 | I | 72 | Confident | 57.9 | Low | 70 Ų | 70 | 129.2 Ų | 129.2 | 36% | 0.359 | 68% | 0.682 | S | S | . | * | | | trans | -80.7 | 89.7 | 173 | -46.9 | -173.9 | 0 | 0 | 0 | 107 | K165 M171 K172 | K165-I167 VanDerWaalsContact O-CG1 3.28Å; K165-I167 WeakPolarHBondContact O-CG1 3.34Å; K165-I167 PolarHBondContact O-N 3.35Å; I167-M171 HydrophobicContact CG2-CB 3.82Å; I167-M171 HydrophobicContact CG2-CG 4.11Å; I167-M171 HydrophobicContact CG2-SD 4.23Å; I167-K172 HydrophobicContact CB-CG 4.29Å; I167-K172 HydrophobicContact CG2-CB 4.5Å; I167-K172 HydrophobicContact CG2-CG 3.59Å; I167-K172 WeakPolarHBondContact O-CE 3.3Å |
| 168 | F | 74.1 | Confident | 58.5 | Low | 115 Ų | 115 | 127.5 Ų | 127.5 | 50% | 0.504 | 68% | 0.679 | S | S | . | * | | | trans | -48.5 | 147.2 | 172.8 | -62.9 | -81.5 | 0 | 0 | 0 | 110.9 | Q166 W170 M171 | Q166-F168 WeakPolarHBondContact O-CD2 3.46Å; Q166-F168 PolarHBondContact O-N 3.11Å; F168-W170 VanDerWaalsContact C-N 3.26Å; F168-W170 HydrophobicContact CB-CG 4.43Å; F168-W170 AromaticContact CG-NE1 3.94Å; F168-W170 PolarHBondContact O-N 3.42Å; F168-W170 VanDerWaalsContact O-N 3.09Å; F168-M171 HydrophobicContact CD2-CE 4.26Å; F168-M171 WeakPolarHBondContact O-CA 3.44Å; F168-M171 WeakPolarHBondContact O-CB 3.45Å; F168-M171 PolarHBondContact O-N 3.38Å |
| 169 | P | 74.9 | Confident | 58.6 | Low | 107 Ų | 107 | 131.2 Ų | 131.2 | 70% | 0.695 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -50.7 | -41.7 | -173.2 | -30.6 | 36.3 | 0 | 0 | 0 | 114.5 | M171 K172 | P169-M171 PolarHBondContact O-N 3.2Å; P169-M171 VanDerWaalsContact O-N 3.16Å; P169-K172 PolarHBondContact O-N 3.23Å |
| 170 | W | 72.2 | Confident | 58.7 | Low | 187 Ų | 187 | 135.2 Ų | 135.2 | 71% | 0.708 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -61.6 | -21.7 | 177.3 | 67.3 | -98.8 | 0 | 0 | 0 | 114.6 | F168 | F168-W170 VanDerWaalsContact C-N 3.26Å; F168-W170 HydrophobicContact CB-CG 4.43Å; F168-W170 AromaticContact CG-NE1 3.94Å; F168-W170 PolarHBondContact O-N 3.42Å; F168-W170 VanDerWaalsContact O-N 3.09Å |
| 171 | M | 74.9 | Confident | 59 | Low | 62 Ų | 62 | 139.2 Ų | 139.2 | 31% | 0.305 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -93.8 | -9.9 | -176.6 | -163.2 | -169.1 | -64.9 | 0 | 0 | 112.8 | I167 F168 P169 | I167-M171 HydrophobicContact CG2-CB 3.82Å; I167-M171 HydrophobicContact CG2-CG 4.11Å; I167-M171 HydrophobicContact CG2-SD 4.23Å; F168-M171 HydrophobicContact CD2-CE 4.26Å; F168-M171 WeakPolarHBondContact O-CA 3.44Å; F168-M171 WeakPolarHBondContact O-CB 3.45Å; F168-M171 PolarHBondContact O-N 3.38Å; P169-M171 PolarHBondContact O-N 3.2Å; P169-M171 VanDerWaalsContact O-N 3.16Å |
| 172 | K | 70.4 | Confident | 58.2 | Low | 135 Ų | 135 | 140.2 Ų | 140.2 | 59% | 0.587 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -75 | -34.7 | 177.6 | -62.7 | -173.9 | -178.5 | -176 | 0 | 112.2 | I167 P169 C174 R175 | I167-K172 HydrophobicContact CB-CG 4.29Å; I167-K172 HydrophobicContact CG2-CB 4.5Å; I167-K172 HydrophobicContact CG2-CG 3.59Å; I167-K172 WeakPolarHBondContact O-CE 3.3Å; P169-K172 PolarHBondContact O-N 3.23Å; K172-C174 VanDerWaalsContact C-N 3.3Å; K172-C174 PolarHBondContact O-N 3.44Å; K172-R175 PolarHBondContact O-N 2.9Å |
| 173 | E | 60.6 | Low | 57.2 | Low | 114 Ų | 114 | 141.5 Ų | 141.5 | 53% | 0.533 | 71% | 0.71 | S | S | . | * | G | 310 helix | trans | -56.6 | -34 | -173 | -164.4 | 69.7 | -176.9 | 0 | 0 | 114.7 | R175 K215 | E173-R175 PolarHBondContact O-N 3.14Å; E173-K215 IonicContact OE1-NZ 3.35Å; E173-K215 PolarHBondContact OE1-NZ 2.78Å |
| 174 | C | 54.6 | Low | 56.2 | Low | 107 Ų | 107 | 139 Ų | 139 | 72% | 0.723 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -84.7 | 3.6 | -170.5 | -67.6 | 0 | 0 | 0 | 0 | 115.6 | K172 | K172-C174 VanDerWaalsContact C-N 3.3Å; K172-C174 PolarHBondContact O-N 3.44Å |
| 175 | R | 53.9 | Low | 55.7 | Low | 182 Ų | 182 | 141 Ų | 141 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -104.4 | -2.1 | -166 | -68.5 | -171.7 | 178.5 | -90.1 | 0.2 | 116.9 | K172 E173 | K172-R175 PolarHBondContact O-N 2.9Å; E173-R175 PolarHBondContact O-N 3.14Å |
| 176 | Q | 51.2 | Low | 54.3 | Low | 182 Ų | 182 | 138.3 Ų | 138.3 | 85% | 0.85 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -106.4 | -6.7 | -174.2 | -70.9 | -174 | -18 | 0 | 0 | 115.9 | T178 | Q176-T178 VanDerWaalsContact C-N 3.27Å; Q176-T178 PolarHBondContact O-N 3.43Å |
| 177 | T | 45.7 | Very low | 53.2 | Low | 128 Ų | 128 | 138.8 Ų | 138.8 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | | | trans | -85.4 | 36.5 | -170.9 | 65.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 178 | T | 50.2 | Low | 51.5 | Low | 129 Ų | 129 | 143.2 Ų | 143.2 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -138.5 | 58.3 | 179.1 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | Q176 | Q176-T178 VanDerWaalsContact C-N 3.27Å; Q176-T178 PolarHBondContact O-N 3.43Å |
| 179 | K | 49.5 | Very low | 50 | Low | 202 Ų | 202 | 143.3 Ų | 143.3 | 88% | 0.878 | 76% | 0.76 | S | S | * | * | | | trans | -171.3 | 70.7 | 151.9 | -116.7 | -175.7 | 180 | -175 | 0 | 113.9 | | |
| 180 | Q | 47.1 | Very low | 48.1 | Very low | 202 Ų | 202 | 141.9 Ų | 141.9 | 94% | 0.944 | 76% | 0.764 | S | S | * | * | | | trans | -133.9 | 113.9 | 150.4 | -77.8 | -164 | -19.2 | 0 | 0 | 109.5 | | |
| 181 | K | 43.8 | Very low | 46.6 | Very low | 210 Ų | 210 | 141 Ų | 141 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | | | trans | -130.3 | 75.3 | 177.3 | -176.2 | -156.1 | 173.5 | -175.6 | 0 | 108.5 | | |
| 182 | N | 35.2 | Very low | 45 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | | | trans | -159.8 | 130.8 | 150.7 | -158.5 | 28.9 | 0 | 0 | 0 | 110.3 | | |
| 183 | C | 30.4 | Very low | 43.6 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 89% | 0.892 | 80% | 0.804 | S | S | * | * | | | trans | -140.6 | 113 | 167.1 | -80.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 184 | S | 36.2 | Very low | 42.4 | Very low | 93 Ų | 93 | 139.8 Ų | 139.8 | 65% | 0.65 | 82% | 0.818 | S | S | * | * | | | trans | -136.7 | 122.7 | 169.5 | -62.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 185 | P | 46.6 | Very low | 41.5 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | | | trans | -85.2 | 129.7 | 175.9 | 32.6 | -31 | 0 | 0 | 0 | 110.6 | | |
| 186 | S | 34.6 | Very low | 40.9 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | | | trans | -128.7 | 117.4 | 166.3 | -69.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 187 | N | 39.1 | Very low | 40.1 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 88% | 0.882 | 84% | 0.836 | S | S | * | * | | | trans | -70 | 143.5 | 160.8 | -79.4 | -16.2 | 0 | 0 | 0 | 109.3 | | |
| 188 | N | 36.8 | Very low | 39.9 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 87% | 0.872 | 84% | 0.84 | S | S | * | * | | | | -156.9 | 159.6 | 119.6 | -134 | -7.5 | 0 | 0 | 0 | 112.8 | | |
| 189 | S | 42.9 | Very low | 39.3 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | | | trans | -83.4 | 159.3 | 179.7 | -54.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 190 | G | 34.8 | Very low | 38.6 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 78% | 0.784 | 84% | 0.835 | S | S | * | * | | | trans | -154.4 | 19 | -168.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 191 | N | 40.9 | Very low | 38.4 | Very low | 169 Ų | 169 | 126.8 Ų | 126.8 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | | | trans | 59.6 | 175.7 | 167.8 | -154 | 18.8 | 0 | 0 | 0 | 118.5 | | |
| 192 | A | 41.2 | Very low | 38.1 | Very low | 74 Ų | 74 | 119.8 Ų | 119.8 | 61% | 0.612 | 82% | 0.818 | S | S | * | * | | | trans | -125.2 | -171.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 193 | S | 40.3 | Very low | 38.7 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | | | trans | 80.1 | 142.3 | -171.6 | -48.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 194 | G | 35.7 | Very low | 39.5 | Very low | 81 Ų | 81 | 125.3 Ų | 125.3 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | | | cis | 150.3 | 112.7 | -5.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 195 | G | 35.4 | Very low | 40 | Very low | 83 Ų | 83 | 125.9 Ų | 125.9 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | | | trans | -173.2 | 129.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 196 | T | 41.6 | Very low | 40.1 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 83% | 0.834 | 83% | 0.826 | S | S | * | * | | | trans | -97.6 | 141.6 | 172.8 | 45.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 197 | E | 34.5 | Very low | 40.6 | Very low | 201 Ų | 201 | 125.7 Ų | 125.7 | 94% | 0.939 | 83% | 0.826 | S | S | * | * | | | | -172.9 | -161.9 | 121.1 | 58 | -171.2 | 132.3 | 0 | 0 | 111.3 | | |
| 198 | S | 41.9 | Very low | 40.9 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | | | trans | -123.8 | 149.3 | -151.1 | -174.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 199 | G | 36.5 | Very low | 41.2 | Very low | 65 Ų | 65 | 117 Ų | 117 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | | | trans | 128.5 | 165.6 | 137.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 200 | S | 34.4 | Very low | 41.4 | Very low | 128 Ų | 128 | 116 Ų | 116 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | | | trans | 76.5 | 130 | 169.9 | -153.7 | 0 | 0 | 0 | 0 | 119 | | |
| 201 | S | 43.2 | Very low | 42 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | -68.3 | 156 | 169.4 | -52.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 202 | G | 37.9 | Very low | 42.6 | Very low | 64 Ų | 64 | 114.2 Ų | 114.2 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | | | trans | -166.7 | 118.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | K204 | G202-K204 PolarHBondContact O-N 2.69Š|
| 203 | E | 48.6 | Very low | 43.3 | Very low | 183 Ų | 183 | 113.8 Ų | 113.8 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | trans | -62.3 | 134.6 | 176.6 | 57.5 | -98.9 | 57.7 | 0 | 0 | 112.1 | | |
| 204 | K | 46.1 | Very low | 44 | Very low | 206 Ų | 206 | 113.6 Ų | 113.6 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | | | trans | -155.4 | 138.6 | 160.9 | -118.3 | 156.1 | -170.2 | 167.6 | 0 | 112.1 | G202 | G202-K204 PolarHBondContact O-N 2.69Š|
| 205 | S | 46.4 | Very low | 45.8 | Very low | 105 Ų | 105 | 115.8 Ų | 115.8 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | trans | -56.3 | 151.7 | -177.2 | -42.6 | 0 | 0 | 0 | 0 | 112.2 | S207 | S205-S207 PolarHBondContact O-N 2.7Š|
| 206 | P | 50.2 | Low | 47.9 | Very low | 131 Ų | 131 | 123.4 Ų | 123.4 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -61.9 | 101.4 | 168.8 | 26.9 | -33.9 | 0 | 0 | 0 | 109.3 | G208 | P206-G208 PolarHBondContact O-N 3.38Š|
| 207 | S | 45.2 | Very low | 50 | Low | 116 Ų | 116 | 121.2 Ų | 121.2 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | trans | -61.6 | 109.2 | 171.5 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | S205 G209 | S205-S207 PolarHBondContact O-N 2.7Å; S207-G209 PolarHBondContact O-N 3.24Å |
| 208 | G | 44.5 | Very low | 52.7 | Low | 82 Ų | 82 | 123.4 Ų | 123.4 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | | | trans | -70.3 | 61.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P206 S210 | P206-G208 PolarHBondContact O-N 3.38Å; G208-S210 VanDerWaalsContact C-N 3.33Å; G208-S210 PolarHBondContact O-N 3.2Å |
| 209 | G | 43 | Very low | 55.1 | Low | 65 Ų | 65 | 123.5 Ų | 123.5 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | | | trans | -68.2 | 79.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S207 | S207-G209 PolarHBondContact O-N 3.24Š|
| 210 | S | 47.1 | Very low | 58 | Low | 96 Ų | 96 | 124.4 Ų | 124.4 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | | | trans | 50 | 68.4 | 155.1 | -158.1 | 0 | 0 | 0 | 0 | 115.9 | G208 A212 | G208-S210 VanDerWaalsContact C-N 3.33Å; G208-S210 PolarHBondContact O-N 3.2Å; S210-A212 PolarHBondContact O-N 3.41Å; S210-A212 WeakPolarHBondContact OG-CB 3.35Å |
| 211 | S | 46.4 | Very low | 61 | Low | 134 Ų | 134 | 121.4 Ų | 121.4 | 94% | 0.937 | 74% | 0.742 | S | S | * | * | | | trans | -71.6 | 35.6 | 157.1 | -160.8 | 0 | 0 | 0 | 0 | 111.6 | S213 | S211-S213 PolarHBondContact O-N 3.14Š|
| 212 | A | 54.3 | Low | 63.7 | Low | 72 Ų | 72 | 119.3 Ų | 119.3 | 60% | 0.595 | 72% | 0.724 | S | S | * | * | | | trans | -80.6 | 106.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | S210 | S210-A212 PolarHBondContact O-N 3.41Å; S210-A212 WeakPolarHBondContact OG-CB 3.35Å |
| 213 | S | 55.8 | Low | 66.5 | Low | 65 Ų | 65 | 120.8 Ų | 120.8 | 46% | 0.455 | 72% | 0.724 | S | S | . | * | | | trans | 64.8 | 55.2 | 160.8 | 179.5 | 0 | 0 | 0 | 0 | 116 | S211 K215 | S211-S213 PolarHBondContact O-N 3.14Å; S213-K215 PolarHBondContact O-N 3.4Å; S213-K215 WeakPolarHBondContact OG-CG 3.33Å; S213-K215 PolarHBondContact OG-NZ 2.73Å |
| 214 | S | 56.2 | Low | 68.9 | Low | 127 Ų | 127 | 115.4 Ų | 115.4 | 89% | 0.888 | 71% | 0.711 | S | S | * | * | | | trans | -70.9 | 59.6 | 150.5 | -165.6 | 0 | 0 | 0 | 0 | 110.7 | R216 | S214-R216 PolarHBondContact O-N 3.34Å; S214-R216 VanDerWaalsContact O-N 3.07Å |
| 215 | K | 72.1 | Confident | 71.4 | Confident | 128 Ų | 128 | 107 Ų | 107 | 56% | 0.557 | 68% | 0.675 | S | S | * | * | | | trans | -71.8 | 100.7 | 174.8 | -72.7 | -176.5 | -167.5 | 95.1 | 0 | 107.5 | E173 S213 A217 | E173-K215 IonicContact OE1-NZ 3.35Å; E173-K215 PolarHBondContact OE1-NZ 2.78Å; S213-K215 PolarHBondContact O-N 3.4Å; S213-K215 WeakPolarHBondContact OG-CG 3.33Å; S213-K215 PolarHBondContact OG-NZ 2.73Å; K215-A217 PolarHBondContact O-N 2.82Å |
| 216 | R | 80.4 | Confident | 73.9 | Confident | 243 Ų | 243 | 105.2 Ų | 105.2 | 92% | 0.917 | 66% | 0.657 | S | S | * | * | | | trans | -39.8 | 111.9 | -177.8 | -168.2 | 176.4 | -168.5 | 168.4 | 6 | 111.2 | S214 R218 | S214-R216 PolarHBondContact O-N 3.34Å; S214-R216 VanDerWaalsContact O-N 3.07Å; R216-R218 PolarHBondContact O-N 2.78Å |
| 217 | A | 85.1 | Confident | 76.2 | Confident | 89 Ų | 89 | 103 Ų | 103 | 74% | 0.736 | 64% | 0.641 | S | S | * | * | | | trans | -56.8 | 138.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K215 T219 | K215-A217 PolarHBondContact O-N 2.82Å; A217-T219 PolarHBondContact O-N 3.01Å |
| 218 | R | 91.7 | Very high | 78.7 | Confident | 247 Ų | 247 | 100.6 Ų | 100.6 | 93% | 0.932 | 62% | 0.617 | S | S | * | * | | | trans | -78.1 | 107.6 | 178 | -68.8 | -176.2 | 178.2 | -175.2 | 0.4 | 109.4 | R216 A220 | R216-R218 PolarHBondContact O-N 2.78Å; R218-A220 PolarHBondContact O-N 3.39Å |
| 219 | T | 92.8 | Very high | 81.3 | Confident | 126 Ų | 126 | 96.7 Ų | 96.7 | 77% | 0.773 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 124.9 | 169.4 | -40.3 | 0 | 0 | 0 | 0 | 109.8 | A217 | A217-T219 PolarHBondContact O-N 3.01Š|
| 220 | A | 96.3 | Very high | 84 | Confident | 84 Ų | 84 | 97 Ų | 97 | 69% | 0.694 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 154.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | R218 | R218-A220 PolarHBondContact O-N 3.39Š|
| 221 | Y | 98.3 | Very high | 86.4 | Confident | 66 Ų | 66 | 98.2 Ų | 98.2 | 26% | 0.259 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -83 | 147.7 | 168.2 | -57 | -65.2 | 0 | 0 | 0 | 109.9 | L226 L253 Q257 W261 | Y221-L226 HydrophobicContact CD2-CD2 4.27Å; Y221-L226 HydrophobicContact CG-CD2 4.49Å; Y221-L253 HydrophobicContact CD1-CD1 3.73Å; Y221-L253 HydrophobicContact CD1-CD2 3.84Å; Y221-L253 HydrophobicContact CD1-CG 4.47Å; Y221-L253 HydrophobicContact CE1-CD1 3.74Å; Y221-L253 HydrophobicContact CE1-CD2 3.81Å; Y221-L253 HydrophobicContact CE1-CG 4.43Å; Y221-Q257 HydrophobicContact CE1-CB 4.17Å; Y221-Q257 HydrophobicContact CE1-CG 4.36Å; Y221-Q257 WeakPolarHBondContact OH-CB 3.33Å; Y221-W261 AromaticContact CD2-CD1 3.94Å; Y221-W261 AromaticContact CE2-CD1 3.77Å |
| 222 | T | 98.5 | Very high | 88.9 | Confident | 77 Ų | 77 | 92.3 Ų | 92.3 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 161.4 | 175.8 | 73.6 | 0 | 0 | 0 | 0 | 111.2 | A224 Q225 L226 | T222-A224 VanDerWaalsContact C-N 3.31Å; T222-A224 PolarHBondContact O-N 2.96Å; T222-Q225 PolarHBondContact O-N 3.35Å; T222-Q225 WeakPolarHBondContact OG1-CG 3.3Å; T222-Q225 PolarHBondContact OG1-N 2.72Å; T222-L226 WeakPolarHBondContact O-CG 3.38Å; T222-L226 PolarHBondContact O-N 3.28Å |
| 223 | S | 98.4 | Very high | 91 | Very high | 95 Ų | 95 | 89 Ų | 89 | 66% | 0.664 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -57.4 | -44.2 | 176.6 | -167 | 0 | 0 | 0 | 0 | 111.8 | Q225 L226 V227 | S223-Q225 PolarHBondContact O-N 3.03Å; S223-L226 PolarHBondContact O-N 2.94Å; S223-L226 VanDerWaalsContact O-N 3.15Å; S223-V227 WeakPolarHBondContact O-CG2 3.45Å; S223-V227 PolarHBondContact O-N 2.88Å |
| 224 | A | 98.3 | Very high | 93 | Very high | 69 Ų | 69 | 91.2 Ų | 91.2 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.8 | -43.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | T222 L226 V227 E228 | T222-A224 VanDerWaalsContact C-N 3.31Å; T222-A224 PolarHBondContact O-N 2.96Å; A224-L226 VanDerWaalsContact C-N 3.3Å; A224-L226 PolarHBondContact O-N 2.92Å; A224-V227 PolarHBondContact O-N 3.3Å; A224-E228 PolarHBondContact O-N 2.74Å; A224-E228 VanDerWaalsContact O-N 3.14Å |
| 225 | Q | 98.6 | Very high | 95 | Very high | 29 Ų | 29 | 93.3 Ų | 93.3 | 14% | 0.136 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -59.7 | -40.9 | 173.8 | -74.8 | 172.9 | -23.2 | 0 | 0 | 111.6 | T222 S223 L229 L251 | T222-Q225 PolarHBondContact O-N 3.35Å; T222-Q225 WeakPolarHBondContact OG1-CG 3.3Å; T222-Q225 PolarHBondContact OG1-N 2.72Å; S223-Q225 PolarHBondContact O-N 3.03Å; Q225-L229 VanDerWaalsContact O-CB 3.31Å; Q225-L229 WeakPolarHBondContact O-CB 3.32Å; Q225-L229 VanDerWaalsContact O-CD1 3.32Å; Q225-L229 WeakPolarHBondContact O-CD1 3.48Å; Q225-L229 WeakPolarHBondContact O-CG 3.03Å; Q225-L229 PolarHBondContact O-N 3.31Å; Q225-L229 VanDerWaalsContact O-N 3.07Å; Q225-L251 HydrophobicContact CG-CB 4.34Å; Q225-L251 PolarHBondContact NE2-O 3.07Å |
| 226 | L | 98.5 | Very high | 96.2 | Very high | 68 Ų | 68 | 90.2 Ų | 90.2 | 36% | 0.356 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 177.3 | -67.7 | 173.4 | 0 | 0 | 0 | 111.9 | Y221 T222 S223 A224 E228 L229 E230 | Y221-L226 HydrophobicContact CD2-CD2 4.27Å; Y221-L226 HydrophobicContact CG-CD2 4.49Å; T222-L226 WeakPolarHBondContact O-CG 3.38Å; T222-L226 PolarHBondContact O-N 3.28Å; S223-L226 PolarHBondContact O-N 2.94Å; S223-L226 VanDerWaalsContact O-N 3.15Å; A224-L226 VanDerWaalsContact C-N 3.3Å; A224-L226 PolarHBondContact O-N 2.92Å; L226-E228 PolarHBondContact O-N 3.47Å; L226-L229 PolarHBondContact O-N 3.07Å; L226-E230 VanDerWaalsContact O-CG 3.23Å; L226-E230 WeakPolarHBondContact O-CG 3.34Å; L226-E230 PolarHBondContact O-N 3.49Å |
| 227 | V | 98.6 | Very high | 97.1 | Very high | 86 Ų | 86 | 82.1 Ų | 82.1 | 52% | 0.521 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.8 | -49 | 178.8 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | S223 A224 E230 K231 | S223-V227 WeakPolarHBondContact O-CG2 3.45Å; S223-V227 PolarHBondContact O-N 2.88Å; A224-V227 PolarHBondContact O-N 3.3Å; V227-E230 PolarHBondContact O-N 2.94Å; V227-K231 VanDerWaalsContact O-CB 3.29Å; V227-K231 WeakPolarHBondContact O-CB 3.29Å; V227-K231 PolarHBondContact O-N 3.15Å |
| 228 | E | 98.5 | Very high | 97.7 | Very high | 65 Ų | 65 | 85.3 Ų | 85.3 | 30% | 0.304 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.3 | -37 | 178.5 | -72.7 | -64.2 | 129.1 | 0 | 0 | 112.4 | A224 L226 E230 K231 E232 L251 | A224-E228 PolarHBondContact O-N 2.74Å; A224-E228 VanDerWaalsContact O-N 3.14Å; L226-E228 PolarHBondContact O-N 3.47Å; E228-E230 PolarHBondContact O-N 3.17Å; E228-K231 PolarHBondContact O-N 2.91Å; E228-K231 VanDerWaalsContact OE1-CD 3.3Å; E228-K231 WeakPolarHBondContact OE1-CD 3.47Å; E228-K231 IonicContact OE1-NZ 2.7Å; E228-K231 PolarHBondContact OE1-NZ 3.46Å; E228-K231 WeakPolarHBondContact OE2-CD 3.45Å; E228-K231 IonicContact OE2-NZ 2.69Å; E228-K231 PolarHBondContact OE2-NZ 2.78Å; E228-E232 WeakPolarHBondContact O-CB 3.44Å; E228-E232 PolarHBondContact O-N 3.5Å; E228-L251 HydrophobicContact CB-CD1 4.31Å; E228-L251 HydrophobicContact CB-CD2 3.66Å; E228-L251 HydrophobicContact CG-CD2 4.1Å |
| 229 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 172.8 | -74.1 | 167.4 | 0 | 0 | 0 | 112.7 | Q225 L226 F233 L251 L253 I258 W261 F262 | Q225-L229 VanDerWaalsContact O-CB 3.31Å; Q225-L229 WeakPolarHBondContact O-CB 3.32Å; Q225-L229 VanDerWaalsContact O-CD1 3.32Å; Q225-L229 WeakPolarHBondContact O-CD1 3.48Å; Q225-L229 WeakPolarHBondContact O-CG 3.03Å; Q225-L229 PolarHBondContact O-N 3.31Å; Q225-L229 VanDerWaalsContact O-N 3.07Å; L226-L229 PolarHBondContact O-N 3.07Å; L229-F233 WeakPolarHBondContact O-CB 3.42Å; L229-F233 PolarHBondContact O-N 3.3Å; L229-L251 HydrophobicContact CD1-CD1 4.42Å; L229-L251 HydrophobicContact CD2-CD1 3.86Å; L229-L251 HydrophobicContact CG-CD1 3.69Å; L229-L253 HydrophobicContact CD1-CD1 4.24Å; L229-I258 HydrophobicContact CD2-CD1 3.84Å; L229-W261 VanDerWaalsContact C-CH2 3.49Å; L229-W261 HydrophobicContact CB-CD2 4Å; L229-W261 HydrophobicContact CB-CE3 4Å; L229-W261 HydrophobicContact CB-CH2 3.68Å; L229-W261 HydrophobicContact CB-CZ2 3.64Å; L229-W261 HydrophobicContact CB-CZ3 3.86Å; L229-W261 HydrophobicContact CD1-CD2 3.94Å; L229-W261 HydrophobicContact CD1-CG 3.9Å; L229-W261 HydrophobicContact CD2-CD2 4.36Å; L229-W261 HydrophobicContact CD2-CE3 4.24Å; L229-W261 HydrophobicContact CG-CD2 4.33Å; L229-W261 WeakPolarHBondContact O-CH2 3.17Å; L229-W261 WeakPolarHBondContact O-CZ3 3.13Å; L229-F262 HydrophobicContact CD2-CD2 4.46Å; L229-F262 HydrophobicContact CD2-CE2 3.9Å |
| 230 | E | 98.5 | Very high | 98.3 | Very high | 72 Ų | 72 | 71.8 Ų | 71.8 | 34% | 0.336 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -71.6 | -45 | 175.3 | -61.6 | -137.5 | 132 | 0 | 0 | 111.4 | L226 V227 E228 E232 F233 H234 W261 R265 | L226-E230 VanDerWaalsContact O-CG 3.23Å; L226-E230 WeakPolarHBondContact O-CG 3.34Å; L226-E230 PolarHBondContact O-N 3.49Å; V227-E230 PolarHBondContact O-N 2.94Å; E228-E230 PolarHBondContact O-N 3.17Å; E230-E232 PolarHBondContact O-N 2.85Å; E230-F233 CarbonylContact O-C 3.42Å; E230-F233 WeakPolarHBondContact O-CB 3.18Å; E230-F233 PolarHBondContact O-N 3.07Å; E230-F233 VanDerWaalsContact O-N 3.17Å; E230-H234 PolarHBondContact O-CD2 2.83Å; E230-H234 PolarHBondContact O-N 3Å; E230-W261 HydrophobicContact CG-CH2 3.97Å; E230-W261 HydrophobicContact CG-CZ2 3.95Å; E230-R265 IonicContact OE1-CZ 2.7Å; E230-R265 IonicContact OE1-NE 3.14Å; E230-R265 PolarHBondContact OE1-NE 3.25Å; E230-R265 IonicContact OE1-NH2 2.64Å; E230-R265 PolarHBondContact OE1-NH2 3.49Å; E230-R265 IonicContact OE2-NH2 3.1Å |
| 231 | K | 98.5 | Very high | 98.4 | Very high | 120 Ų | 120 | 74.4 Ų | 74.4 | 52% | 0.522 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -54.3 | -51.2 | 174.1 | 171.3 | -172.4 | 169.3 | -160.2 | 0 | 111.9 | V227 E228 F233 H234 F235 | V227-K231 VanDerWaalsContact O-CB 3.29Å; V227-K231 WeakPolarHBondContact O-CB 3.29Å; V227-K231 PolarHBondContact O-N 3.15Å; E228-K231 PolarHBondContact O-N 2.91Å; E228-K231 VanDerWaalsContact OE1-CD 3.3Å; E228-K231 WeakPolarHBondContact OE1-CD 3.47Å; E228-K231 IonicContact OE1-NZ 2.7Å; E228-K231 PolarHBondContact OE1-NZ 3.46Å; E228-K231 WeakPolarHBondContact OE2-CD 3.45Å; E228-K231 IonicContact OE2-NZ 2.69Å; E228-K231 PolarHBondContact OE2-NZ 2.78Å; K231-F233 PolarHBondContact O-N 3.5Å; K231-H234 WeakPolarHBondContact O-CB 3.43Å; K231-H234 PolarHBondContact O-N 3.18Å; K231-F235 PolarHBondContact O-N 3.33Å |
| 232 | E | 98.5 | Very high | 98.4 | Very high | 11 Ų | 11 | 75.2 Ų | 75.2 | 5% | 0.051 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 176.2 | -175.9 | 68.7 | -168.1 | 0 | 0 | 111.5 | E228 E230 H234 F235 N236 L239 R243 M247 F262 | E228-E232 WeakPolarHBondContact O-CB 3.44Å; E228-E232 PolarHBondContact O-N 3.5Å; E230-E232 PolarHBondContact O-N 2.85Å; E232-H234 VanDerWaalsContact C-N 3.3Å; E232-H234 PolarHBondContact O-N 3.02Å; E232-F235 PolarHBondContact O-N 3.47Å; E232-N236 PolarHBondContact O-N 3.07Å; E232-L239 HydrophobicContact CG-CD1 4.49Å; E232-L239 HydrophobicContact CG-CD2 3.83Å; E232-L239 WeakPolarHBondContact OE1-CD2 3.36Å; E232-R243 VanDerWaalsContact OE1-CG 3.3Å; E232-R243 WeakPolarHBondContact OE1-CG 3.37Å; E232-R243 IonicContact OE1-CZ 3.65Å; E232-R243 IonicContact OE1-NE 2.78Å; E232-R243 PolarHBondContact OE1-NE 3.31Å; E232-R243 IonicContact OE1-NH2 3.63Å; E232-R243 IonicContact OE2-CZ 3.48Å; E232-R243 IonicContact OE2-NE 3.4Å; E232-R243 PolarHBondContact OE2-NE 2.99Å; E232-R243 IonicContact OE2-NH2 2.73Å; E232-R243 PolarHBondContact OE2-NH2 3.34Å; E232-M247 HydrophobicContact CB-SD 3.82Å; E232-M247 HydrophobicContact CG-CE 4.5Å; E232-M247 HydrophobicContact CG-CG 4.02Å; E232-M247 HydrophobicContact CG-SD 3.68Å; E232-F262 HydrophobicContact CB-CZ 4.29Å; E232-F262 HydrophobicContact CG-CZ 4.01Å |
| 233 | F | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.009 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.3 | -35.1 | 173.6 | 179.2 | -100.9 | 0 | 0 | 0 | 112.6 | L229 E230 K231 N236 R237 W261 F262 R265 R266 Y269 | L229-F233 WeakPolarHBondContact O-CB 3.42Å; L229-F233 PolarHBondContact O-N 3.3Å; E230-F233 CarbonylContact O-C 3.42Å; E230-F233 WeakPolarHBondContact O-CB 3.18Å; E230-F233 PolarHBondContact O-N 3.07Å; E230-F233 VanDerWaalsContact O-N 3.17Å; K231-F233 PolarHBondContact O-N 3.5Å; F233-N236 CarbonylContact O-C 3.54Å; F233-R237 VanDerWaalsContact CE1-CD 3.5Å; F233-R237 HydrophobicContact CE2-CB 4.08Å; F233-R237 HydrophobicContact CE2-CG 4.44Å; F233-R237 HydrophobicContact CZ-CG 4.47Å; F233-R237 WeakPolarHBondContact O-CD 3.19Å; F233-R237 PolarHBondContact O-NE 2.93Å; F233-W261 HydrophobicContact CB-CH2 4.29Å; F233-W261 HydrophobicContact CB-CZ3 4Å; F233-W261 HydrophobicContact CG-CZ3 4.4Å; F233-F262 HydrophobicContact CB-CE1 3.97Å; F233-F262 HydrophobicContact CB-CZ 4.1Å; F233-F262 AromaticContact CD2-CD1 3.93Å; F233-F262 HydrophobicContact CD2-CD1 3.93Å; F233-F262 AromaticContact CD2-CE1 3.86Å; F233-F262 HydrophobicContact CD2-CE1 3.86Å; F233-F262 HydrophobicContact CG-CE1 4.44Å; F233-R265 HydrophobicContact CD1-CG 3.7Å; F233-R265 HydrophobicContact CD2-CB 4.2Å; F233-R265 HydrophobicContact CD2-CG 3.93Å; F233-R265 HydrophobicContact CE1-CG 3.7Å; F233-R265 HydrophobicContact CE2-CB 4.11Å; F233-R265 HydrophobicContact CE2-CG 3.93Å; F233-R265 HydrophobicContact CG-CG 3.81Å; F233-R265 HydrophobicContact CZ-CB 4.35Å; F233-R265 HydrophobicContact CZ-CG 3.81Å; F233-R266 HydrophobicContact CE2-CG 3.75Å; F233-R266 HydrophobicContact CZ-CG 4.36Å; F233-Y269 HydrophobicContact CE1-CD2 4.33Å; F233-Y269 HydrophobicContact CE1-CG 4.42Å; F233-Y269 HydrophobicContact CZ-CG 4.24Å |
| 234 | H | 98.2 | Very high | 98.4 | Very high | 112 Ų | 112 | 72.9 Ų | 72.9 | 52% | 0.519 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 175.4 | -85.5 | -73.9 | 0 | 0 | 0 | 111.3 | E230 K231 E232 R237 | E230-H234 PolarHBondContact O-CD2 2.83Å; E230-H234 PolarHBondContact O-N 3Å; K231-H234 WeakPolarHBondContact O-CB 3.43Å; K231-H234 PolarHBondContact O-N 3.18Å; E232-H234 VanDerWaalsContact C-N 3.3Å; E232-H234 PolarHBondContact O-N 3.02Å; H234-R237 PolarHBondContact O-NH2 3.42Å |
| 235 | F | 98.2 | Very high | 98.4 | Very high | 171 Ų | 171 | 72 Ų | 72 | 75% | 0.75 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.7 | -51.8 | 173.5 | 178.7 | -108.7 | 0 | 0 | 0 | 112.6 | K231 E232 | K231-F235 PolarHBondContact O-N 3.33Å; E232-F235 PolarHBondContact O-N 3.47Å |
| 236 | N | 97.8 | Very high | 98.4 | Very high | 63 Ų | 63 | 74.4 Ų | 74.4 | 34% | 0.337 | 35% | 0.351 | S | S | . | . | | | trans | -142.7 | 122.3 | 177.5 | -178 | -3.1 | 0 | 0 | 0 | 111.8 | E232 F233 Y238 F262 | E232-N236 PolarHBondContact O-N 3.07Å; F233-N236 CarbonylContact O-C 3.54Å; N236-Y238 PolarHBondContact ND2-O 3.29Å; N236-Y238 PolarHBondContact O-N 3Å; N236-Y238 PolarHBondContact OD1-N 2.82Å; N236-Y238 PolarHBondContact OD1-O 3.43Å; N236-F262 WeakPolarHBondContact O-CE1 3.31Å |
| 237 | R | 97.9 | Very high | 98.4 | Very high | 73 Ų | 73 | 71.3 Ų | 71.3 | 28% | 0.275 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -71 | -12.2 | -179.5 | -52.3 | -67.9 | 144.7 | 84.9 | 13.6 | 113.7 | F233 H234 R266 Y269 | F233-R237 VanDerWaalsContact CE1-CD 3.5Å; F233-R237 HydrophobicContact CE2-CB 4.08Å; F233-R237 HydrophobicContact CE2-CG 4.44Å; F233-R237 HydrophobicContact CZ-CG 4.47Å; F233-R237 WeakPolarHBondContact O-CD 3.19Å; F233-R237 PolarHBondContact O-NE 2.93Å; H234-R237 PolarHBondContact O-NH2 3.42Å; R237-R266 WeakPolarHBondContact O-CD 3.36Å; R237-Y269 PolarHBondContact NH1-OH 2.64Å |
| 238 | Y | 98.4 | Very high | 98.4 | Very high | 155 Ų | 155 | 67.5 Ų | 67.5 | 61% | 0.608 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -139.6 | 104.2 | -172.6 | -68.4 | -110.7 | 0 | 0 | 0 | 112.4 | N236 C240 | N236-Y238 PolarHBondContact ND2-O 3.29Å; N236-Y238 PolarHBondContact O-N 3Å; N236-Y238 PolarHBondContact OD1-N 2.82Å; N236-Y238 PolarHBondContact OD1-O 3.43Å; Y238-C240 PolarHBondContact O-N 3.38Å |
| 239 | L | 98.3 | Very high | 98.4 | Very high | 18 Ų | 18 | 69.9 Ų | 69.9 | 9% | 0.094 | 33% | 0.327 | C | S | . | . | | | trans | -77.3 | 123.2 | 178.3 | -60.9 | -170.7 | 0 | 0 | 0 | 114.2 | E232 R243 R244 M247 I258 F262 | E232-L239 HydrophobicContact CG-CD1 4.49Å; E232-L239 HydrophobicContact CG-CD2 3.83Å; E232-L239 WeakPolarHBondContact OE1-CD2 3.36Å; L239-R243 HydrophobicContact CD2-CG 3.92Å; L239-R244 HydrophobicContact CB-CB 4.45Å; L239-R244 PolarHBondContact O-NH2 3.14Å; L239-M247 HydrophobicContact CD1-CB 4.32Å; L239-M247 HydrophobicContact CD1-CG 3.98Å; L239-I258 HydrophobicContact CD1-CG2 3.72Å; L239-F262 HydrophobicContact CD1-CD2 4.02Å; L239-F262 HydrophobicContact CD1-CE1 4.19Å; L239-F262 HydrophobicContact CD1-CE2 3.6Å; L239-F262 HydrophobicContact CD1-CZ 3.69Å; L239-F262 HydrophobicContact CD2-CE1 4.07Å; L239-F262 HydrophobicContact CD2-CZ 4.07Å; L239-F262 HydrophobicContact CG-CD1 4.04Å; L239-F262 HydrophobicContact CG-CD2 4.35Å; L239-F262 HydrophobicContact CG-CE1 3.69Å; L239-F262 HydrophobicContact CG-CE2 4.05Å; L239-F262 HydrophobicContact CG-CG 4.36Å; L239-F262 HydrophobicContact CG-CZ 3.71Å |
| 240 | C | 98.3 | Very high | 98.4 | Very high | 71 Ų | 71 | 75.6 Ų | 75.6 | 48% | 0.48 | 36% | 0.357 | S | S | . | . | | | trans | -63.6 | 176.1 | 165.9 | 64.7 | 0 | 0 | 0 | 0 | 112.2 | Y238 R243 R244 | Y238-C240 PolarHBondContact O-N 3.38Å; C240-R243 VanDerWaalsContact SG-CB 3.55Å; C240-R244 WeakPolarHBondContact O-CB 3.13Å; C240-R244 PolarHBondContact O-N 3.14Å |
| 241 | R | 98.3 | Very high | 98.4 | Very high | 139 Ų | 139 | 72.9 Ų | 72.9 | 53% | 0.525 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.8 | -43.5 | -174.7 | -176.4 | 68.1 | -176.5 | 89.4 | -14.8 | 113.9 | E255 | R241-E255 VanDerWaalsContact CZ-CD 3.5Å; R241-E255 IonicContact CZ-OE1 3.6Å; R241-E255 IonicContact CZ-OE2 3.86Å; R241-E255 IonicContact NE-OE2 2.72Å; R241-E255 IonicContact NH1-OE1 2.74Å; R241-E255 PolarHBondContact NH1-OE1 2.83Å; R241-E255 IonicContact NH1-OE2 2.92Å; R241-E255 PolarHBondContact NH1-OE2 3.29Å; R241-E255 IonicContact NH2-OE1 2.68Å; R241-E255 PolarHBondContact NH2-OE1 3.07Å; R241-E255 IonicContact NH2-OE2 3.83Å; R241-E255 PolarHBondContact NH2-OE2 2.86Å |
| 242 | P | 98.4 | Very high | 98.4 | Very high | 83 Ų | 83 | 74.3 Ų | 74.3 | 54% | 0.539 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.4 | -51.7 | 178.6 | -21.3 | 34.8 | 0 | 0 | 0 | 112.9 | R244 V245 E246 | P242-R244 PolarHBondContact O-N 3.08Å; P242-V245 WeakPolarHBondContact O-CA 3.23Å; P242-V245 VanDerWaalsContact O-CB 3.32Å; P242-V245 WeakPolarHBondContact O-CB 3.43Å; P242-V245 PolarHBondContact O-N 2.98Å; P242-E246 PolarHBondContact O-N 2.68Å |
| 243 | R | 98.5 | Very high | 98.3 | Very high | 75 Ų | 75 | 74.6 Ų | 74.6 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.5 | -26.8 | -178.9 | -170.1 | 57 | 173.2 | 178.7 | 0.6 | 113.8 | E232 L239 C240 E246 M247 | E232-R243 VanDerWaalsContact OE1-CG 3.3Å; E232-R243 WeakPolarHBondContact OE1-CG 3.37Å; E232-R243 IonicContact OE1-CZ 3.65Å; E232-R243 IonicContact OE1-NE 2.78Å; E232-R243 PolarHBondContact OE1-NE 3.31Å; E232-R243 IonicContact OE1-NH2 3.63Å; E232-R243 IonicContact OE2-CZ 3.48Å; E232-R243 IonicContact OE2-NE 3.4Å; E232-R243 PolarHBondContact OE2-NE 2.99Å; E232-R243 IonicContact OE2-NH2 2.73Å; E232-R243 PolarHBondContact OE2-NH2 3.34Å; L239-R243 HydrophobicContact CD2-CG 3.92Å; C240-R243 VanDerWaalsContact SG-CB 3.55Å; R243-E246 WeakPolarHBondContact CA-OE1 3.37Å; R243-E246 WeakPolarHBondContact CD-OE2 3.32Å; R243-E246 IonicContact CZ-OE2 3.64Å; R243-E246 PolarHBondContact N-OE1 3.19Å; R243-E246 IonicContact NE-OE2 3.74Å; R243-E246 IonicContact NH1-OE2 2.74Å; R243-E246 PolarHBondContact NH1-OE2 2.67Å; R243-M247 WeakPolarHBondContact O-CB 3.45Å; R243-M247 WeakPolarHBondContact O-CG 3.49Å; R243-M247 PolarHBondContact O-N 2.87Å |
| 244 | R | 98.7 | Very high | 98.3 | Very high | 48 Ų | 48 | 77.3 Ų | 77.3 | 18% | 0.181 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.9 | -31.8 | 172.7 | -163.7 | -173.6 | -53.7 | 137.9 | 10.2 | 113.4 | L239 C240 P242 A248 E255 I258 | L239-R244 HydrophobicContact CB-CB 4.45Å; L239-R244 PolarHBondContact O-NH2 3.14Å; C240-R244 WeakPolarHBondContact O-CB 3.13Å; C240-R244 PolarHBondContact O-N 3.14Å; P242-R244 PolarHBondContact O-N 3.08Å; R244-A248 WeakPolarHBondContact O-CB 3.44Å; R244-A248 PolarHBondContact O-N 3.23Å; R244-E255 HydrophobicContact CG-CB 4.31Å; R244-E255 HydrophobicContact CG-CG 4.21Å; R244-E255 IonicContact NH1-OE2 3.09Å; R244-I258 HydrophobicContact CG-CB 4.02Å; R244-I258 HydrophobicContact CG-CG2 3.83Å |
| 245 | V | 98.7 | Very high | 98.4 | Very high | 51 Ų | 51 | 74.4 Ų | 74.4 | 31% | 0.309 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70 | -45.8 | 173.1 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | P242 M247 A248 N249 | P242-V245 WeakPolarHBondContact O-CA 3.23Å; P242-V245 VanDerWaalsContact O-CB 3.32Å; P242-V245 WeakPolarHBondContact O-CB 3.43Å; P242-V245 PolarHBondContact O-N 2.98Å; V245-M247 PolarHBondContact O-N 2.74Å; V245-A248 WeakPolarHBondContact O-CB 3.46Å; V245-A248 PolarHBondContact O-N 3.42Å; V245-A248 VanDerWaalsContact O-N 3.14Å; V245-N249 WeakPolarHBondContact O-CB 3.13Å; V245-N249 VanDerWaalsContact O-CG 3.24Å; V245-N249 PolarHBondContact O-N 2.79Å; V245-N249 PolarHBondContact O-OD1 3.18Å |
| 246 | E | 98.6 | Very high | 98.4 | Very high | 79 Ų | 79 | 74.9 Ų | 74.9 | 37% | 0.369 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55 | -51.3 | 175.2 | -63.8 | 156.9 | -125.7 | 0 | 0 | 110.9 | P242 R243 A248 N249 L250 | P242-E246 PolarHBondContact O-N 2.68Å; R243-E246 WeakPolarHBondContact CA-OE1 3.37Å; R243-E246 WeakPolarHBondContact CD-OE2 3.32Å; R243-E246 IonicContact CZ-OE2 3.64Å; R243-E246 PolarHBondContact N-OE1 3.19Å; R243-E246 IonicContact NE-OE2 3.74Å; R243-E246 IonicContact NH1-OE2 2.74Å; R243-E246 PolarHBondContact NH1-OE2 2.67Å; E246-A248 PolarHBondContact O-N 2.7Å; E246-N249 PolarHBondContact O-N 2.89Å; E246-L250 VanDerWaalsContact O-CB 3.31Å; E246-L250 WeakPolarHBondContact O-CB 3.48Å; E246-L250 WeakPolarHBondContact O-CD1 3.43Å; E246-L250 VanDerWaalsContact O-CG 3.28Å; E246-L250 WeakPolarHBondContact O-CG 3.36Å; E246-L250 PolarHBondContact O-N 3.34Å |
| 247 | M | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 74.6 Ų | 74.6 | 2% | 0.02 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.1 | -32 | 176.4 | -72.6 | -69.5 | 109.7 | 0 | 0 | 114.1 | E232 L239 R243 V245 L250 L251 I258 | E232-M247 HydrophobicContact CB-SD 3.82Å; E232-M247 HydrophobicContact CG-CE 4.5Å; E232-M247 HydrophobicContact CG-CG 4.02Å; E232-M247 HydrophobicContact CG-SD 3.68Å; L239-M247 HydrophobicContact CD1-CB 4.32Å; L239-M247 HydrophobicContact CD1-CG 3.98Å; R243-M247 WeakPolarHBondContact O-CB 3.45Å; R243-M247 WeakPolarHBondContact O-CG 3.49Å; R243-M247 PolarHBondContact O-N 2.87Å; V245-M247 PolarHBondContact O-N 2.74Å; M247-L250 HydrophobicContact CE-CD1 3.85Å; M247-L251 WeakPolarHBondContact O-CB 3.46Å; M247-L251 WeakPolarHBondContact O-CG 3.35Å; M247-L251 PolarHBondContact O-N 3.26Å; M247-I258 HydrophobicContact CB-CD1 4.37Å; M247-I258 HydrophobicContact CB-CG2 4.34Å |
| 248 | A | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 71.2 Ų | 71.2 | 5% | 0.05 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.4 | -47.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | R244 V245 E246 N252 L253 E255 I258 | R244-A248 WeakPolarHBondContact O-CB 3.44Å; R244-A248 PolarHBondContact O-N 3.23Å; V245-A248 WeakPolarHBondContact O-CB 3.46Å; V245-A248 PolarHBondContact O-N 3.42Å; V245-A248 VanDerWaalsContact O-N 3.14Å; E246-A248 PolarHBondContact O-N 2.7Å; A248-N252 PolarHBondContact O-N 3.03Å; A248-N252 VanDerWaalsContact O-N 3.11Å; A248-L253 CarbonylContact C-O 3.58Å; A248-L253 WeakPolarHBondContact CA-O 3.29Å; A248-L253 WeakPolarHBondContact CB-O 3.21Å; A248-L253 PolarHBondContact O-N 2.92Å; A248-L253 VanDerWaalsContact O-O 3.1Å; A248-E255 HydrophobicContact CB-CG 4.09Å; A248-I258 HydrophobicContact CB-CG1 4.23Å |
| 249 | N | 98.5 | Very high | 98.4 | Very high | 114 Ų | 114 | 69.7 Ų | 69.7 | 61% | 0.61 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67.7 | -49.5 | -178.8 | -66.2 | -5.2 | 0 | 0 | 0 | 111.5 | V245 E246 L251 N252 | V245-N249 WeakPolarHBondContact O-CB 3.13Å; V245-N249 VanDerWaalsContact O-CG 3.24Å; V245-N249 PolarHBondContact O-N 2.79Å; V245-N249 PolarHBondContact O-OD1 3.18Å; E246-N249 PolarHBondContact O-N 2.89Å; N249-L251 PolarHBondContact O-N 3.5Å; N249-N252 PolarHBondContact O-N 3.01Å |
| 250 | L | 98.2 | Very high | 98.4 | Very high | 121 Ų | 121 | 71.5 Ų | 71.5 | 63% | 0.634 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.1 | -24.9 | -178 | -75.9 | 166.2 | 0 | 0 | 0 | 114 | E246 M247 | E246-L250 VanDerWaalsContact O-CB 3.31Å; E246-L250 WeakPolarHBondContact O-CB 3.48Å; E246-L250 WeakPolarHBondContact O-CD1 3.43Å; E246-L250 VanDerWaalsContact O-CG 3.28Å; E246-L250 WeakPolarHBondContact O-CG 3.36Å; E246-L250 PolarHBondContact O-N 3.34Å; M247-L250 HydrophobicContact CE-CD1 3.85Å |
| 251 | L | 98.1 | Very high | 98.4 | Very high | 15 Ų | 15 | 69.3 Ų | 69.3 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 1.4 | -176.9 | -56.1 | -177.1 | 0 | 0 | 0 | 113.4 | Q225 E228 L229 M247 N249 L253 I258 | Q225-L251 HydrophobicContact CG-CB 4.34Å; Q225-L251 PolarHBondContact NE2-O 3.07Å; E228-L251 HydrophobicContact CB-CD1 4.31Å; E228-L251 HydrophobicContact CB-CD2 3.66Å; E228-L251 HydrophobicContact CG-CD2 4.1Å; L229-L251 HydrophobicContact CD1-CD1 4.42Å; L229-L251 HydrophobicContact CD2-CD1 3.86Å; L229-L251 HydrophobicContact CG-CD1 3.69Å; M247-L251 WeakPolarHBondContact O-CB 3.46Å; M247-L251 WeakPolarHBondContact O-CG 3.35Å; M247-L251 PolarHBondContact O-N 3.26Å; N249-L251 PolarHBondContact O-N 3.5Å; L251-L253 VanDerWaalsContact C-N 3.26Å; L251-L253 HydrophobicContact CB-CD1 4.26Å; L251-L253 HydrophobicContact CB-CG 4.19Å; L251-L253 PolarHBondContact O-N 3.2Å; L251-I258 HydrophobicContact CD1-CD1 4.4Å |
| 252 | N | 98.4 | Very high | 98.4 | Very high | 149 Ų | 149 | 63.1 Ų | 63.1 | 80% | 0.797 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 42.2 | -172.6 | -51.4 | 103.9 | 0 | 0 | 0 | 113.1 | A248 N249 | A248-N252 PolarHBondContact O-N 3.03Å; A248-N252 VanDerWaalsContact O-N 3.11Å; N249-N252 PolarHBondContact O-N 3.01Å |
| 253 | L | 98.1 | Very high | 98.5 | Very high | 17 Ų | 17 | 64 Ų | 64 | 9% | 0.089 | 31% | 0.308 | C | S | . | . | | | trans | -118.6 | 145.8 | 178.7 | -66.5 | -178.7 | 0 | 0 | 0 | 110.5 | Y221 L229 A248 L251 Q257 I258 | Y221-L253 HydrophobicContact CD1-CD1 3.73Å; Y221-L253 HydrophobicContact CD1-CD2 3.84Å; Y221-L253 HydrophobicContact CD1-CG 4.47Å; Y221-L253 HydrophobicContact CE1-CD1 3.74Å; Y221-L253 HydrophobicContact CE1-CD2 3.81Å; Y221-L253 HydrophobicContact CE1-CG 4.43Å; L229-L253 HydrophobicContact CD1-CD1 4.24Å; A248-L253 CarbonylContact C-O 3.58Å; A248-L253 WeakPolarHBondContact CA-O 3.29Å; A248-L253 WeakPolarHBondContact CB-O 3.21Å; A248-L253 PolarHBondContact O-N 2.92Å; A248-L253 VanDerWaalsContact O-O 3.1Å; L251-L253 VanDerWaalsContact C-N 3.26Å; L251-L253 HydrophobicContact CB-CD1 4.26Å; L251-L253 HydrophobicContact CB-CG 4.19Å; L251-L253 PolarHBondContact O-N 3.2Å; L253-Q257 HydrophobicContact CB-CB 4.35Å; L253-I258 HydrophobicContact CB-CD1 3.94Å; L253-I258 HydrophobicContact CB-CG1 4.45Å; L253-I258 HydrophobicContact CD1-CD1 4Å |
| 254 | S | 98.5 | Very high | 98.5 | Very high | 59 Ų | 59 | 65.3 Ų | 65.3 | 41% | 0.413 | 32% | 0.321 | S | S | . | . | | | trans | -64.2 | 146.6 | 171.1 | 67.2 | 0 | 0 | 0 | 0 | 111.2 | R256 Q257 I258 | S254-R256 PolarHBondContact O-N 3.02Å; S254-Q257 WeakPolarHBondContact O-CA 3.31Å; S254-Q257 WeakPolarHBondContact O-CB 3.49Å; S254-Q257 PolarHBondContact O-N 3.49Å; S254-Q257 WeakPolarHBondContact OG-CG 3.39Å; S254-Q257 PolarHBondContact OG-N 3.04Å; S254-Q257 PolarHBondContact OG-OE1 3.03Å; S254-I258 PolarHBondContact O-N 3.29Å; S254-I258 VanDerWaalsContact O-N 3.14Å |
| 255 | E | 98.6 | Very high | 98.4 | Very high | 52 Ų | 52 | 64.6 Ų | 64.6 | 24% | 0.243 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -49.9 | -31.9 | 171.4 | -76.3 | -168.4 | -131.2 | 0 | 0 | 113.4 | R241 R244 A248 I258 K259 | R241-E255 VanDerWaalsContact CZ-CD 3.5Å; R241-E255 IonicContact CZ-OE1 3.6Å; R241-E255 IonicContact CZ-OE2 3.86Å; R241-E255 IonicContact NE-OE2 2.72Å; R241-E255 IonicContact NH1-OE1 2.74Å; R241-E255 PolarHBondContact NH1-OE1 2.83Å; R241-E255 IonicContact NH1-OE2 2.92Å; R241-E255 PolarHBondContact NH1-OE2 3.29Å; R241-E255 IonicContact NH2-OE1 2.68Å; R241-E255 PolarHBondContact NH2-OE1 3.07Å; R241-E255 IonicContact NH2-OE2 3.83Å; R241-E255 PolarHBondContact NH2-OE2 2.86Å; R244-E255 HydrophobicContact CG-CB 4.31Å; R244-E255 HydrophobicContact CG-CG 4.21Å; R244-E255 IonicContact NH1-OE2 3.09Å; A248-E255 HydrophobicContact CB-CG 4.09Å; E255-I258 PolarHBondContact O-N 3.2Å; E255-K259 VanDerWaalsContact O-CB 3.29Å; E255-K259 WeakPolarHBondContact O-CB 3.47Å; E255-K259 PolarHBondContact O-N 2.82Å |
| 256 | R | 98.2 | Very high | 98.4 | Very high | 180 Ų | 180 | 66 Ų | 66 | 68% | 0.679 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | 177.8 | -172.5 | 177.9 | -179.1 | -81.3 | 0.4 | 111.2 | S254 I260 | S254-R256 PolarHBondContact O-N 3.02Å; R256-I260 HydrophobicContact CG-CD1 3.98Å; R256-I260 WeakPolarHBondContact O-CB 3.34Å; R256-I260 WeakPolarHBondContact O-CD1 3.29Å; R256-I260 WeakPolarHBondContact O-CG1 3.4Å; R256-I260 PolarHBondContact O-N 3.25Å |
| 257 | Q | 98.3 | Very high | 98.4 | Very high | 58 Ų | 58 | 67.6 Ų | 67.6 | 27% | 0.271 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.7 | -46.9 | 172.5 | -74.9 | 158.2 | -72.4 | 0 | 0 | 110.9 | Y221 L253 S254 K259 I260 W261 | Y221-Q257 HydrophobicContact CE1-CB 4.17Å; Y221-Q257 HydrophobicContact CE1-CG 4.36Å; Y221-Q257 WeakPolarHBondContact OH-CB 3.33Å; L253-Q257 HydrophobicContact CB-CB 4.35Å; S254-Q257 WeakPolarHBondContact O-CA 3.31Å; S254-Q257 WeakPolarHBondContact O-CB 3.49Å; S254-Q257 PolarHBondContact O-N 3.49Å; S254-Q257 WeakPolarHBondContact OG-CG 3.39Å; S254-Q257 PolarHBondContact OG-N 3.04Å; S254-Q257 PolarHBondContact OG-OE1 3.03Å; Q257-K259 PolarHBondContact O-N 2.78Å; Q257-I260 PolarHBondContact O-N 3.35Å; Q257-W261 WeakPolarHBondContact O-CB 3.42Å; Q257-W261 PolarHBondContact O-N 3.37Å |
| 258 | I | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.6 | -49.7 | 175.4 | -52.5 | -63.5 | 0 | 0 | 0 | 110.8 | L229 L239 R244 M247 A248 L251 L253 S254 E255 I260 W261 F262 | L229-I258 HydrophobicContact CD2-CD1 3.84Å; L239-I258 HydrophobicContact CD1-CG2 3.72Å; R244-I258 HydrophobicContact CG-CB 4.02Å; R244-I258 HydrophobicContact CG-CG2 3.83Å; M247-I258 HydrophobicContact CB-CD1 4.37Å; M247-I258 HydrophobicContact CB-CG2 4.34Å; A248-I258 HydrophobicContact CB-CG1 4.23Å; L251-I258 HydrophobicContact CD1-CD1 4.4Å; L253-I258 HydrophobicContact CB-CD1 3.94Å; L253-I258 HydrophobicContact CB-CG1 4.45Å; L253-I258 HydrophobicContact CD1-CD1 4Å; S254-I258 PolarHBondContact O-N 3.29Å; S254-I258 VanDerWaalsContact O-N 3.14Å; E255-I258 PolarHBondContact O-N 3.2Å; I258-I260 PolarHBondContact O-N 3.11Å; I258-W261 PolarHBondContact O-N 3.47Å; I258-F262 HydrophobicContact CG2-CD2 3.97Å; I258-F262 HydrophobicContact CG2-CE2 4.2Å; I258-F262 WeakPolarHBondContact O-CD2 3.48Å; I258-F262 PolarHBondContact O-N 2.87Å |
| 259 | K | 98.3 | Very high | 98.2 | Very high | 124 Ų | 124 | 76.4 Ų | 76.4 | 54% | 0.539 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.4 | -45 | 178.7 | -177.8 | -179.6 | 177.6 | -178.5 | 0 | 112.3 | E255 Q257 Q263 | E255-K259 VanDerWaalsContact O-CB 3.29Å; E255-K259 WeakPolarHBondContact O-CB 3.47Å; E255-K259 PolarHBondContact O-N 2.82Å; Q257-K259 PolarHBondContact O-N 2.78Å; K259-Q263 WeakPolarHBondContact O-CB 3.35Å; K259-Q263 PolarHBondContact O-N 3.25Å |
| 260 | I | 98.5 | Very high | 98.1 | Very high | 56 Ų | 56 | 76.5 Ų | 76.5 | 29% | 0.287 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.2 | -43.2 | 178.7 | -71.2 | 167.5 | 0 | 0 | 0 | 110.7 | R256 Q257 I258 Q263 N264 | R256-I260 HydrophobicContact CG-CD1 3.98Å; R256-I260 WeakPolarHBondContact O-CB 3.34Å; R256-I260 WeakPolarHBondContact O-CD1 3.29Å; R256-I260 WeakPolarHBondContact O-CG1 3.4Å; R256-I260 PolarHBondContact O-N 3.25Å; Q257-I260 PolarHBondContact O-N 3.35Å; I258-I260 PolarHBondContact O-N 3.11Å; I260-Q263 PolarHBondContact O-N 3.38Å; I260-N264 VanDerWaalsContact O-CG 3.29Å; I260-N264 PolarHBondContact O-N 2.87Å |
| 261 | W | 98.5 | Very high | 97.9 | Very high | 24 Ų | 24 | 78.2 Ų | 78.2 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 177.9 | -170.2 | 105.7 | 0 | 0 | 0 | 111 | Y221 L229 E230 F233 Q257 I258 Q263 N264 R265 | Y221-W261 AromaticContact CD2-CD1 3.94Å; Y221-W261 AromaticContact CE2-CD1 3.77Å; L229-W261 VanDerWaalsContact C-CH2 3.49Å; L229-W261 HydrophobicContact CB-CD2 4Å; L229-W261 HydrophobicContact CB-CE3 4Å; L229-W261 HydrophobicContact CB-CH2 3.68Å; L229-W261 HydrophobicContact CB-CZ2 3.64Å; L229-W261 HydrophobicContact CB-CZ3 3.86Å; L229-W261 HydrophobicContact CD1-CD2 3.94Å; L229-W261 HydrophobicContact CD1-CG 3.9Å; L229-W261 HydrophobicContact CD2-CD2 4.36Å; L229-W261 HydrophobicContact CD2-CE3 4.24Å; L229-W261 HydrophobicContact CG-CD2 4.33Å; L229-W261 WeakPolarHBondContact O-CH2 3.17Å; L229-W261 WeakPolarHBondContact O-CZ3 3.13Å; E230-W261 HydrophobicContact CG-CH2 3.97Å; E230-W261 HydrophobicContact CG-CZ2 3.95Å; F233-W261 HydrophobicContact CB-CH2 4.29Å; F233-W261 HydrophobicContact CB-CZ3 4Å; F233-W261 HydrophobicContact CG-CZ3 4.4Å; Q257-W261 WeakPolarHBondContact O-CB 3.42Å; Q257-W261 PolarHBondContact O-N 3.37Å; I258-W261 PolarHBondContact O-N 3.47Å; W261-Q263 VanDerWaalsContact C-N 3.29Å; W261-Q263 PolarHBondContact O-N 2.83Å; W261-N264 PolarHBondContact O-N 2.75Å; W261-R265 HydrophobicContact CD2-CB 4.48Å; W261-R265 HydrophobicContact CE3-CB 3.91Å; W261-R265 HydrophobicContact CE3-CG 4.47Å; W261-R265 HydrophobicContact CH2-CB 3.89Å; W261-R265 HydrophobicContact CH2-CG 3.54Å; W261-R265 HydrophobicContact CZ2-CB 4.47Å; W261-R265 HydrophobicContact CZ2-CG 4.25Å; W261-R265 HydrophobicContact CZ3-CB 3.59Å; W261-R265 HydrophobicContact CZ3-CG 3.67Å; W261-R265 WeakPolarHBondContact O-CB 3.4Å; W261-R265 PolarHBondContact O-N 3.03Å |
| 262 | F | 98.8 | Very high | 97.7 | Very high | 9 Ų | 9 | 79.8 Ų | 79.8 | 4% | 0.039 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.8 | -27.1 | 176 | -91.5 | -100.4 | 0 | 0 | 0 | 113.7 | L229 E232 F233 N236 L239 I258 R266 | L229-F262 HydrophobicContact CD2-CD2 4.46Å; L229-F262 HydrophobicContact CD2-CE2 3.9Å; E232-F262 HydrophobicContact CB-CZ 4.29Å; E232-F262 HydrophobicContact CG-CZ 4.01Å; F233-F262 HydrophobicContact CB-CE1 3.97Å; F233-F262 HydrophobicContact CB-CZ 4.1Å; F233-F262 AromaticContact CD2-CD1 3.93Å; F233-F262 HydrophobicContact CD2-CD1 3.93Å; F233-F262 AromaticContact CD2-CE1 3.86Å; F233-F262 HydrophobicContact CD2-CE1 3.86Å; F233-F262 HydrophobicContact CG-CE1 4.44Å; N236-F262 WeakPolarHBondContact O-CE1 3.31Å; L239-F262 HydrophobicContact CD1-CD2 4.02Å; L239-F262 HydrophobicContact CD1-CE1 4.19Å; L239-F262 HydrophobicContact CD1-CE2 3.6Å; L239-F262 HydrophobicContact CD1-CZ 3.69Å; L239-F262 HydrophobicContact CD2-CE1 4.07Å; L239-F262 HydrophobicContact CD2-CZ 4.07Å; L239-F262 HydrophobicContact CG-CD1 4.04Å; L239-F262 HydrophobicContact CG-CD2 4.35Å; L239-F262 HydrophobicContact CG-CE1 3.69Å; L239-F262 HydrophobicContact CG-CE2 4.05Å; L239-F262 HydrophobicContact CG-CG 4.36Å; L239-F262 HydrophobicContact CG-CZ 3.71Å; I258-F262 HydrophobicContact CG2-CD2 3.97Å; I258-F262 HydrophobicContact CG2-CE2 4.2Å; I258-F262 WeakPolarHBondContact O-CD2 3.48Å; I258-F262 PolarHBondContact O-N 2.87Å; F262-R266 WeakPolarHBondContact O-CB 3.38Å; F262-R266 WeakPolarHBondContact O-CG 3.36Å; F262-R266 PolarHBondContact O-N 2.89Å; F262-R266 PolarHBondContact O-NE 3Å |
| 263 | Q | 98.6 | Very high | 97.3 | Very high | 103 Ų | 103 | 75.7 Ų | 75.7 | 48% | 0.481 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.6 | -46.8 | 170.9 | -169.7 | 169.1 | 15 | 0 | 0 | 111.1 | K259 I260 W261 M267 | K259-Q263 WeakPolarHBondContact O-CB 3.35Å; K259-Q263 PolarHBondContact O-N 3.25Å; I260-Q263 PolarHBondContact O-N 3.38Å; W261-Q263 VanDerWaalsContact C-N 3.29Å; W261-Q263 PolarHBondContact O-N 2.83Å; Q263-M267 WeakPolarHBondContact O-CG 3.36Å; Q263-M267 PolarHBondContact O-N 3.43Å; Q263-M267 VanDerWaalsContact O-N 3.11Å |
| 264 | N | 98.3 | Very high | 96.7 | Very high | 102 Ų | 102 | 81.6 Ų | 81.6 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 177.2 | -67.9 | -15.3 | 0 | 0 | 0 | 112 | I260 W261 M267 K268 | I260-N264 VanDerWaalsContact O-CG 3.29Å; I260-N264 PolarHBondContact O-N 2.87Å; W261-N264 PolarHBondContact O-N 2.75Å; N264-M267 PolarHBondContact O-N 2.87Å; N264-K268 PolarHBondContact O-N 2.83Å |
| 265 | R | 98.4 | Very high | 95.9 | Very high | 33 Ų | 33 | 83.1 Ų | 83.1 | 13% | 0.125 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.6 | -38.6 | -179.3 | -163.6 | 67.6 | 175.4 | 85.3 | -9.7 | 112.5 | E230 F233 W261 K268 Y269 | E230-R265 IonicContact OE1-CZ 2.7Å; E230-R265 IonicContact OE1-NE 3.14Å; E230-R265 PolarHBondContact OE1-NE 3.25Å; E230-R265 IonicContact OE1-NH2 2.64Å; E230-R265 PolarHBondContact OE1-NH2 3.49Å; E230-R265 IonicContact OE2-NH2 3.1Å; F233-R265 HydrophobicContact CD1-CG 3.7Å; F233-R265 HydrophobicContact CD2-CB 4.2Å; F233-R265 HydrophobicContact CD2-CG 3.93Å; F233-R265 HydrophobicContact CE1-CG 3.7Å; F233-R265 HydrophobicContact CE2-CB 4.11Å; F233-R265 HydrophobicContact CE2-CG 3.93Å; F233-R265 HydrophobicContact CG-CG 3.81Å; F233-R265 HydrophobicContact CZ-CB 4.35Å; F233-R265 HydrophobicContact CZ-CG 3.81Å; W261-R265 HydrophobicContact CD2-CB 4.48Å; W261-R265 HydrophobicContact CE3-CB 3.91Å; W261-R265 HydrophobicContact CE3-CG 4.47Å; W261-R265 HydrophobicContact CH2-CB 3.89Å; W261-R265 HydrophobicContact CH2-CG 3.54Å; W261-R265 HydrophobicContact CZ2-CB 4.47Å; W261-R265 HydrophobicContact CZ2-CG 4.25Å; W261-R265 HydrophobicContact CZ3-CB 3.59Å; W261-R265 HydrophobicContact CZ3-CG 3.67Å; W261-R265 WeakPolarHBondContact O-CB 3.4Å; W261-R265 PolarHBondContact O-N 3.03Å; R265-K268 PolarHBondContact O-N 3.36Å; R265-Y269 VanDerWaalsContact O-CB 3.29Å; R265-Y269 WeakPolarHBondContact O-CB 3.38Å; R265-Y269 PolarHBondContact O-N 2.92Å |
| 266 | R | 98.1 | Very high | 95 | Very high | 79 Ų | 79 | 87.7 Ų | 87.7 | 30% | 0.298 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 170.4 | -76.1 | -178.1 | -68.9 | 151 | 0.4 | 112.4 | F233 R237 F262 Y269 K270 | F233-R266 HydrophobicContact CE2-CG 3.75Å; F233-R266 HydrophobicContact CZ-CG 4.36Å; R237-R266 WeakPolarHBondContact O-CD 3.36Å; F262-R266 WeakPolarHBondContact O-CB 3.38Å; F262-R266 WeakPolarHBondContact O-CG 3.36Å; F262-R266 PolarHBondContact O-N 2.89Å; F262-R266 PolarHBondContact O-NE 3Å; R266-Y269 PolarHBondContact O-N 3.5Å; R266-K270 WeakPolarHBondContact O-CB 3.35Å; R266-K270 PolarHBondContact O-N 3.42Å |
| 267 | M | 98.1 | Very high | 93.4 | Very high | 113 Ų | 113 | 81.1 Ų | 81.1 | 56% | 0.557 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67.1 | -40.4 | 177.6 | -70.9 | -66.9 | -80.8 | 0 | 0 | 112 | Q263 N264 K270 K271 | Q263-M267 WeakPolarHBondContact O-CG 3.36Å; Q263-M267 PolarHBondContact O-N 3.43Å; Q263-M267 VanDerWaalsContact O-N 3.11Å; N264-M267 PolarHBondContact O-N 2.87Å; M267-K270 PolarHBondContact O-N 2.94Å; M267-K271 PolarHBondContact O-N 2.93Å |
| 268 | K | 97 | Very high | 91.6 | Very high | 111 Ų | 111 | 84.9 Ų | 84.9 | 48% | 0.483 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.9 | -53.7 | 170.3 | -170.4 | -167.6 | 169.7 | -174.3 | 0 | 110.7 | N264 R265 K270 K271 D272 | N264-K268 PolarHBondContact O-N 2.83Å; R265-K268 PolarHBondContact O-N 3.36Å; K268-K270 VanDerWaalsContact C-N 3.29Å; K268-K270 PolarHBondContact O-N 3.23Å; K268-K271 CarbonylContact O-C 3.38Å; K268-K271 WeakPolarHBondContact O-CA 3.42Å; K268-K271 WeakPolarHBondContact O-CB 3.31Å; K268-K271 PolarHBondContact O-N 3.4Å; K268-D272 VanDerWaalsContact CE-OD2 3.31Å; K268-D272 WeakPolarHBondContact CE-OD2 3.46Å; K268-D272 WeakPolarHBondContact CG-OD2 3.48Å; K268-D272 VanDerWaalsContact O-CG 3.23Å; K268-D272 PolarHBondContact O-N 3.46Å |
| 269 | Y | 96.3 | Very high | 89.7 | Confident | 85 Ų | 85 | 88.8 Ų | 88.8 | 33% | 0.333 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -54.3 | -41.8 | 178.8 | -179.3 | -98.3 | 0 | 0 | 0 | 113.1 | F233 R237 R265 R266 K271 D272 Q273 | F233-Y269 HydrophobicContact CE1-CD2 4.33Å; F233-Y269 HydrophobicContact CE1-CG 4.42Å; F233-Y269 HydrophobicContact CZ-CG 4.24Å; R237-Y269 PolarHBondContact NH1-OH 2.64Å; R265-Y269 VanDerWaalsContact O-CB 3.29Å; R265-Y269 WeakPolarHBondContact O-CB 3.38Å; R265-Y269 PolarHBondContact O-N 2.92Å; R266-Y269 PolarHBondContact O-N 3.5Å; Y269-K271 VanDerWaalsContact C-N 3.27Å; Y269-K271 PolarHBondContact O-N 3.37Å; Y269-D272 PolarHBondContact O-N 2.8Å; Y269-Q273 HydrophobicContact CD1-CG 4.35Å; Y269-Q273 HydrophobicContact CD2-CG 4.34Å; Y269-Q273 HydrophobicContact CE1-CG 3.96Å; Y269-Q273 HydrophobicContact CE2-CG 3.95Å; Y269-Q273 WeakPolarHBondContact O-CG 3.04Å; Y269-Q273 PolarHBondContact O-N 3.4Å; Y269-Q273 PolarHBondContact OH-NE2 3.08Å |
| 270 | K | 95.8 | Very high | 87.7 | Confident | 116 Ų | 116 | 87.4 Ų | 87.4 | 50% | 0.504 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.2 | -28.3 | 175.6 | -173.4 | 176.3 | 67.6 | 173.8 | 0 | 113.3 | R266 M267 K268 K274 | R266-K270 WeakPolarHBondContact O-CB 3.35Å; R266-K270 PolarHBondContact O-N 3.42Å; M267-K270 PolarHBondContact O-N 2.94Å; K268-K270 VanDerWaalsContact C-N 3.29Å; K268-K270 PolarHBondContact O-N 3.23Å; K270-K274 WeakPolarHBondContact O-CE 3.35Å |
| 271 | K | 95.3 | Very high | 85.5 | Confident | 157 Ų | 157 | 90.7 Ų | 90.7 | 68% | 0.683 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -78.9 | -52 | 171.9 | -173.6 | -176 | 178 | -175.7 | 0 | 110.5 | M267 K268 Y269 Q273 K274 S275 | M267-K271 PolarHBondContact O-N 2.93Å; K268-K271 CarbonylContact O-C 3.38Å; K268-K271 WeakPolarHBondContact O-CA 3.42Å; K268-K271 WeakPolarHBondContact O-CB 3.31Å; K268-K271 PolarHBondContact O-N 3.4Å; Y269-K271 VanDerWaalsContact C-N 3.27Å; Y269-K271 PolarHBondContact O-N 3.37Å; K271-Q273 VanDerWaalsContact C-N 3.28Å; K271-Q273 PolarHBondContact O-N 3.14Å; K271-K274 WeakPolarHBondContact O-CA 3.28Å; K271-K274 VanDerWaalsContact O-CB 3.31Å; K271-K274 WeakPolarHBondContact O-CB 3.42Å; K271-K274 PolarHBondContact O-N 2.92Å; K271-S275 PolarHBondContact O-N 3.03Å; K271-S275 VanDerWaalsContact O-N 3.14Å; K271-S275 PolarHBondContact O-OG 3.38Å |
| 272 | D | 92.6 | Very high | 83.2 | Confident | 47 Ų | 47 | 95.2 Ų | 95.2 | 25% | 0.251 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -53.9 | -42.9 | -177.1 | -62.2 | -7.9 | 0 | 0 | 0 | 111.7 | K268 Y269 S275 K276 | K268-D272 VanDerWaalsContact CE-OD2 3.31Å; K268-D272 WeakPolarHBondContact CE-OD2 3.46Å; K268-D272 WeakPolarHBondContact CG-OD2 3.48Å; K268-D272 VanDerWaalsContact O-CG 3.23Å; K268-D272 PolarHBondContact O-N 3.46Å; Y269-D272 PolarHBondContact O-N 2.8Å; D272-S275 WeakPolarHBondContact CA-OG 3.39Å; D272-S275 PolarHBondContact O-N 3.26Å; D272-S275 PolarHBondContact O-OG 3.48Å; D272-K276 WeakPolarHBondContact O-CG 3.47Å; D272-K276 PolarHBondContact O-N 3.2Å |
| 273 | Q | 90.9 | Very high | 80.8 | Confident | 63 Ų | 63 | 98.6 Ų | 98.6 | 29% | 0.294 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -29.1 | 177.3 | -67.7 | -67.1 | 23.9 | 0 | 0 | 113.5 | Y269 K271 K276 | Y269-Q273 HydrophobicContact CD1-CG 4.35Å; Y269-Q273 HydrophobicContact CD2-CG 4.34Å; Y269-Q273 HydrophobicContact CE1-CG 3.96Å; Y269-Q273 HydrophobicContact CE2-CG 3.95Å; Y269-Q273 WeakPolarHBondContact O-CG 3.04Å; Y269-Q273 PolarHBondContact O-N 3.4Å; Y269-Q273 PolarHBondContact OH-NE2 3.08Å; K271-Q273 VanDerWaalsContact C-N 3.28Å; K271-Q273 PolarHBondContact O-N 3.14Å; Q273-K276 PolarHBondContact O-N 3.16Å |
| 274 | K | 85.8 | Confident | 78.2 | Confident | 141 Ų | 141 | 96.5 Ų | 96.5 | 61% | 0.613 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -68.6 | -39.5 | 174.7 | -131 | 79.6 | 75 | 167.2 | 0 | 111.5 | K270 K271 K276 | K270-K274 WeakPolarHBondContact O-CE 3.35Å; K271-K274 WeakPolarHBondContact O-CA 3.28Å; K271-K274 VanDerWaalsContact O-CB 3.31Å; K271-K274 WeakPolarHBondContact O-CB 3.42Å; K271-K274 PolarHBondContact O-N 2.92Å; K274-K276 VanDerWaalsContact C-N 3.26Å; K274-K276 PolarHBondContact O-N 3.03Å |
| 275 | S | 80.7 | Confident | 76 | Confident | 92 Ų | 92 | 97.8 Ų | 97.8 | 64% | 0.643 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -73.4 | -10.3 | 178.2 | 40.9 | 0 | 0 | 0 | 0 | 114.8 | K271 D272 | K271-S275 PolarHBondContact O-N 3.03Å; K271-S275 VanDerWaalsContact O-N 3.14Å; K271-S275 PolarHBondContact O-OG 3.38Å; D272-S275 WeakPolarHBondContact CA-OG 3.39Å; D272-S275 PolarHBondContact O-N 3.26Å; D272-S275 PolarHBondContact O-OG 3.48Å |
| 276 | K | 79.3 | Confident | 73.5 | Confident | 147 Ų | 147 | 101.4 Ų | 101.4 | 64% | 0.639 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -96.1 | 4.3 | -174.9 | -79 | -175.9 | 175.4 | -161.7 | 0 | 114.9 | D272 Q273 K274 L278 | D272-K276 WeakPolarHBondContact O-CG 3.47Å; D272-K276 PolarHBondContact O-N 3.2Å; Q273-K276 PolarHBondContact O-N 3.16Å; K274-K276 VanDerWaalsContact C-N 3.26Å; K274-K276 PolarHBondContact O-N 3.03Å; K276-L278 HydrophobicContact CB-CD1 4.29Å; K276-L278 HydrophobicContact CB-CG 4.37Å; K276-L278 PolarHBondContact O-N 2.75Å |
| 277 | G | 64.8 | Low | 71.7 | Confident | 43 Ų | 43 | 104.2 Ų | 104.2 | 44% | 0.443 | 62% | 0.621 | S | S | . | * | S | Bend | trans | 70.2 | -12.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | S279 S280 | G277-S279 PolarHBondContact O-N 3.43Å; G277-S280 PolarHBondContact O-N 3.22Å; G277-S280 PolarHBondContact O-OG 2.83Å |
| 278 | L | 60.9 | Low | 69.5 | Low | 137 Ų | 137 | 103.3 Ų | 103.3 | 72% | 0.717 | 63% | 0.632 | S | S | * | * | | | trans | -65.4 | 4 | 179.4 | -63.8 | 172.7 | 0 | 0 | 0 | 115 | K276 | K276-L278 HydrophobicContact CB-CD1 4.29Å; K276-L278 HydrophobicContact CB-CG 4.37Å; K276-L278 PolarHBondContact O-N 2.75Å |
| 279 | S | 59 | Low | 67.1 | Low | 83 Ų | 83 | 101.6 Ų | 101.6 | 58% | 0.58 | 65% | 0.645 | S | S | * | * | | | trans | -104 | 60.4 | 164.9 | 63.5 | 0 | 0 | 0 | 0 | 110.3 | G277 | G277-S279 PolarHBondContact O-N 3.43Š|
| 280 | S | 56 | Low | 64.8 | Low | 95 Ų | 95 | 103 Ų | 103 | 66% | 0.664 | 67% | 0.668 | S | S | * | * | | | trans | -123.4 | 139.8 | 176.9 | -62.3 | 0 | 0 | 0 | 0 | 109.5 | G277 | G277-S280 PolarHBondContact O-N 3.22Å; G277-S280 PolarHBondContact O-OG 2.83Å |
| 281 | S | 52.4 | Low | 63.1 | Low | 125 Ų | 125 | 102.7 Ų | 102.7 | 87% | 0.874 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 66 | 130.3 | -158.2 | -159.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 282 | S | 49.1 | Very low | 61 | Low | 118 Ų | 118 | 101.3 Ų | 101.3 | 83% | 0.825 | 68% | 0.684 | S | S | * | * | S | Bend | cis | -114.7 | 8.3 | 17.3 | 53.8 | 0 | 0 | 0 | 0 | 116 | G284 | S282-G284 PolarHBondContact O-N 3.09Š|
| 283 | G | 48.6 | Very low | 58.7 | Low | 80 Ų | 80 | 106.7 Ų | 106.7 | 83% | 0.825 | 71% | 0.713 | S | S | * | * | | | trans | -84.7 | 87.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 284 | G | 45.5 | Very low | 56.5 | Low | 60 Ų | 60 | 110.2 Ų | 110.2 | 62% | 0.619 | 74% | 0.739 | S | S | * | * | | | trans | -72.7 | 147.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S282 S286 | S282-G284 PolarHBondContact O-N 3.09Å; G284-S286 PolarHBondContact O-N 3.45Å |
| 285 | P | 51.9 | Low | 54.4 | Low | 129 Ų | 129 | 112.3 Ų | 112.3 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | | | trans | -77.9 | 102.5 | 175.9 | 31 | -32.9 | 0 | 0 | 0 | 111 | P287 | P285-P287 WeakPolarHBondContact O-CD 3.39Š|
| 286 | S | 45.8 | Very low | 52.5 | Low | 108 Ų | 108 | 116.8 Ų | 116.8 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | -64.6 | 120.2 | 173.4 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | G284 A288 | G284-S286 PolarHBondContact O-N 3.45Å; S286-A288 PolarHBondContact O-N 3.23Å |
| 287 | P | 59 | Low | 50.5 | Low | 139 Ų | 139 | 115.4 Ų | 115.4 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -82.6 | 61 | 179.9 | 35.2 | -35.7 | 0 | 0 | 0 | 111.2 | P285 | P285-P287 WeakPolarHBondContact O-CD 3.39Š|
| 288 | A | 53.7 | Low | 49.5 | Very low | 94 Ų | 94 | 118.9 Ų | 118.9 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | | | trans | -141.6 | 66.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S286 | S286-A288 PolarHBondContact O-N 3.23Š|
| 289 | G | 46.4 | Very low | 48.6 | Very low | 75 Ų | 75 | 117 Ų | 117 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -149.6 | 94.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 290 | S | 46.4 | Very low | 47.6 | Very low | 114 Ų | 114 | 118.1 Ų | 118.1 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 148.2 | -175 | -52.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 291 | P | 61.5 | Low | 47.1 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 71% | 0.708 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 141.3 | 172.2 | 28.3 | -34.7 | 0 | 0 | 0 | 110.5 | L293 | P291-L293 PolarHBondContact O-N 3.24Š|
| 292 | P | 49.8 | Very low | 47 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 116.2 | 175.4 | 28 | -33.1 | 0 | 0 | 0 | 109.8 | T294 | P292-T294 PolarHBondContact O-N 3.06Š|
| 293 | L | 44.4 | Very low | 46.6 | Very low | 161 Ų | 161 | 125.7 Ų | 125.7 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 126.2 | 174.9 | -67.8 | 173.2 | 0 | 0 | 0 | 110.1 | P291 M295 | P291-L293 PolarHBondContact O-N 3.24Å; L293-M295 PolarHBondContact O-N 2.79Å; L293-M295 VanDerWaalsContact O-N 3.13Å |
| 294 | T | 45 | Very low | 46.2 | Very low | 137 Ų | 137 | 126.4 Ų | 126.4 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | | | trans | -68 | 106.6 | 171.5 | 46.4 | 0 | 0 | 0 | 0 | 109.6 | P292 Q296 | P292-T294 PolarHBondContact O-N 3.06Å; T294-Q296 PolarHBondContact O-N 2.82Å |
| 295 | M | 41.5 | Very low | 45.7 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | | | trans | -59.4 | 122.7 | 172.8 | -98.3 | -75.4 | 110.8 | 0 | 0 | 110.4 | L293 | L293-M295 PolarHBondContact O-N 2.79Å; L293-M295 VanDerWaalsContact O-N 3.13Å |
| 296 | Q | 41.2 | Very low | 45.4 | Very low | 187 Ų | 187 | 133.2 Ų | 133.2 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | | | trans | -91.5 | 110 | -172.4 | -174.9 | 170.7 | -3.7 | 0 | 0 | 109.9 | T294 | T294-Q296 PolarHBondContact O-N 2.82Š|
| 297 | S | 36.8 | Very low | 45.8 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | trans | -82.1 | 142.2 | 171.4 | -165.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 298 | S | 44.9 | Very low | 45.2 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -84.7 | 124.3 | -167.1 | 55.3 | 0 | 0 | 0 | 0 | 114 | | |
| 299 | A | 41.8 | Very low | 44.3 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -149.7 | 122.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 300 | S | 37.8 | Very low | 43.8 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | | | trans | -77.1 | 151.7 | 179.5 | -48.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 301 | F | 45.3 | Very low | 43.3 | Very low | 210 Ų | 210 | 134.6 Ų | 134.6 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | | | | -166.9 | 170.7 | 122.4 | -94.3 | -61 | 0 | 0 | 0 | 109.9 | | |
| 302 | L | 50 | Low | 42 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 74% | 0.738 | 83% | 0.827 | S | S | * | * | | | trans | -120.9 | 157.5 | -149.9 | -64.6 | 164 | 0 | 0 | 0 | 114.6 | | |
| 303 | N | 40.8 | Very low | 41.4 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 78% | 0.781 | 83% | 0.829 | S | S | * | * | | | trans | 68 | 158.3 | 152.4 | -70.5 | -15.2 | 0 | 0 | 0 | 117.7 | | |
| 304 | S | 41.1 | Very low | 41 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 66% | 0.657 | 83% | 0.827 | S | S | * | * | | | cis | -158.7 | 144.9 | -8.6 | -116.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 305 | M | 35.2 | Very low | 41.7 | Very low | 170 Ų | 170 | 126.8 Ų | 126.8 | 84% | 0.837 | 82% | 0.824 | S | S | * | * | | | trans | 49.3 | 158.8 | 142.5 | -70.7 | -62.8 | 179 | 0 | 0 | 124 | | |
| 306 | H | 45.6 | Very low | 41.6 | Very low | 162 Ų | 162 | 124.1 Ų | 124.1 | 75% | 0.75 | 82% | 0.818 | S | S | * | * | | | trans | -78.8 | 179.2 | -178.1 | -53.1 | -103.5 | 0 | 0 | 0 | 113.5 | | |
| 307 | P | 54.3 | Low | 41.5 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | | | | -137.9 | 166.6 | 92.8 | 39 | -28.1 | 0 | 0 | 0 | 116.1 | | |
| 308 | M | 44.7 | Very low | 41.3 | Very low | 184 Ų | 184 | 126 Ų | 126 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | | | trans | -86.5 | 160.6 | 168.3 | -71.9 | -81.8 | -166.9 | 0 | 0 | 111.4 | | |
| 309 | G | 36.2 | Very low | 41.1 | Very low | 77 Ų | 77 | 125.2 Ų | 125.2 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | 174.1 | 97.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 310 | G | 35.3 | Very low | 41.3 | Very low | 88 Ų | 88 | 126.6 Ų | 126.6 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | | | trans | 72.2 | 158.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 311 | G | 35.6 | Very low | 41.2 | Very low | 82 Ų | 82 | 126.9 Ų | 126.9 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | cis | 162.3 | 105.1 | -11.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 312 | G | 35.3 | Very low | 41.1 | Very low | 88 Ų | 88 | 122.5 Ų | 122.5 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | | | trans | 97.6 | 140.1 | 157 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 313 | G | 36.4 | Very low | 40.9 | Very low | 85 Ų | 85 | 121.5 Ų | 121.5 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | | | trans | 102.6 | 108.6 | 148.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 314 | G | 36.4 | Very low | 40.6 | Very low | 77 Ų | 77 | 119.4 Ų | 119.4 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | 92.1 | 123.1 | 146.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 315 | P | 59.2 | Low | 40.3 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | -98.9 | 144.7 | 162.7 | 36.3 | -29.5 | 0 | 0 | 0 | 112 | | |
| 316 | T | 39.2 | Very low | 40.3 | Very low | 128 Ų | 128 | 119.7 Ų | 119.7 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | 179.2 | 173.8 | 143.7 | 28.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 317 | Y | 38.7 | Very low | 39.9 | Very low | 190 Ų | 190 | 121 Ų | 121 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | | | trans | -35.1 | 159 | 174.5 | 62.5 | -92.8 | 0 | 0 | 0 | 117.1 | | |
| 318 | E | 33.7 | Very low | 38.8 | Very low | 154 Ų | 154 | 120.9 Ų | 120.9 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | | | cis | -155.2 | 179.8 | 38.4 | -133.8 | -159.5 | 115.2 | 0 | 0 | 117.4 | | |
| 319 | T | 39.6 | Very low | 38.4 | Very low | 100 Ų | 100 | 120 Ų | 120 | 61% | 0.613 | 79% | 0.79 | S | S | * | * | | | trans | -40.1 | 133.2 | 159.5 | -38.1 | 0 | 0 | 0 | 0 | 115.1 | S321 | T319-S321 PolarHBondContact O-N 3.29Š|
| 320 | P | 46.8 | Very low | 38.3 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -84.9 | 113.3 | 169.8 | 32.1 | -31.6 | 0 | 0 | 0 | 112.1 | | |
| 321 | S | 35.8 | Very low | 38.4 | Very low | 112 Ų | 112 | 124 Ų | 124 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | -103.6 | 139.7 | 156.7 | -72.2 | 0 | 0 | 0 | 0 | 110.1 | T319 | T319-S321 PolarHBondContact O-N 3.29Š|
| 322 | S | 42.5 | Very low | 38.5 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -58.9 | 151.7 | 176.6 | -44 | 0 | 0 | 0 | 0 | 111.6 | | |
| 323 | P | 47.2 | Very low | 38.2 | Very low | 121 Ų | 121 | 127 Ų | 127 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | | -157.1 | 175.8 | 88 | 42.5 | -24.2 | 0 | 0 | 0 | 118 | | |
| 324 | S | 32.8 | Very low | 38.1 | Very low | 101 Ų | 101 | 134 Ų | 134 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | 78.7 | 112.3 | 141.9 | -137.5 | 0 | 0 | 0 | 0 | 122.8 | | |
| 325 | F | 36.4 | Very low | 38 | Very low | 194 Ų | 194 | 134.7 Ų | 134.7 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | | | trans | 42.4 | 116.9 | 134.8 | -79.5 | -88.2 | 0 | 0 | 0 | 122.6 | | |
| 326 | G | 35.4 | Very low | 36.9 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | -122 | 128.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 327 | K | 36.6 | Very low | 36.4 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | -79.5 | 166.1 | 160.8 | -108.7 | 107.8 | 168.2 | -174.5 | 0 | 108.3 | | |
| 328 | L | 30.6 | Very low | 36 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 67% | 0.665 | 78% | 0.777 | S | S | * | * | | | cis | -168.6 | 137.5 | -7.6 | 154.2 | 147.7 | 0 | 0 | 0 | 108 | | |
| 329 | H | 36.4 | Very low | 36.2 | Very low | 165 Ų | 165 | 130.5 Ų | 130.5 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | | | trans | -163.2 | 176 | 135.7 | -120.7 | 90.9 | 0 | 0 | 0 | 113 | | |
| 330 | Q | 35.2 | Very low | 35.7 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | -92.3 | 158.4 | -165.3 | -60 | 177.8 | 65.8 | 0 | 0 | 112 | | |
| 331 | G | 35.8 | Very low | 35.1 | Very low | 79 Ų | 79 | 135.9 Ų | 135.9 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | | | trans | -74.9 | 152.4 | -162.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 332 | V | 38.9 | Very low | 35 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | | | trans | -114.6 | 136 | 151.4 | 179.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 333 | S | 29.4 | Very low | 34.9 | Very low | 95 Ų | 95 | 138 Ų | 138 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | | | trans | -69.9 | 136.6 | -178.5 | 42.2 | 0 | 0 | 0 | 0 | 112.3 | S335 | S333-S335 VanDerWaalsContact C-N 3.33Å; S333-S335 PolarHBondContact O-N 2.92Å |
| 334 | Y | 33.6 | Very low | 34.7 | Very low | 230 Ų | 230 | 137.5 Ų | 137.5 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | trans | -71.1 | 89.5 | 164.3 | 17.9 | -99.7 | 0 | 0 | 0 | 109.9 | M336 | Y334-M336 PolarHBondContact O-N 3.37Š|
| 335 | S | 34 | Very low | 34.7 | Very low | 93 Ų | 93 | 141.8 Ų | 141.8 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | | | trans | -75.9 | 106.5 | 165.9 | 43.2 | 0 | 0 | 0 | 0 | 110.1 | S333 | S333-S335 VanDerWaalsContact C-N 3.33Å; S333-S335 PolarHBondContact O-N 2.92Å |
| 336 | M | 35.6 | Very low | 34.8 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | | | trans | -109.5 | 87.9 | 162.4 | -86.6 | -69.5 | 164.2 | 0 | 0 | 109.2 | Y334 T338 | Y334-M336 PolarHBondContact O-N 3.37Å; M336-T338 PolarHBondContact O-N 3.23Å |
| 337 | S | 30.1 | Very low | 34.6 | Very low | 107 Ų | 107 | 142 Ų | 142 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | trans | -80 | 92.1 | 175.4 | -65 | 0 | 0 | 0 | 0 | 110.5 | A339 | S337-A339 PolarHBondContact O-N 2.66Š|
| 338 | T | 30.3 | Very low | 34.2 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | | | trans | -76.6 | 71.7 | 157.3 | -50.8 | 0 | 0 | 0 | 0 | 108.9 | M336 | M336-T338 PolarHBondContact O-N 3.23Š|
| 339 | A | 36.3 | Very low | 34.8 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 63% | 0.628 | 79% | 0.794 | S | S | * | * | | | trans | -85 | 123.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108 | S337 | S337-A339 PolarHBondContact O-N 2.66Š|
| 340 | Y | 29.2 | Very low | 35.1 | Very low | 229 Ų | 229 | 136.3 Ų | 136.3 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | | | trans | -134.7 | 119.2 | 152.6 | -123.6 | -82 | 0 | 0 | 0 | 109.5 | | |
| 341 | S | 34.9 | Very low | 35.1 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -75.6 | 169.7 | 175.8 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 342 | N | 34.1 | Very low | 34.9 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | | | trans | -75.3 | 151.2 | -174 | -100.9 | -94.7 | 0 | 0 | 0 | 114.1 | | |
| 343 | V | 39.6 | Very low | 34.6 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | | | trans | 72.9 | 153.1 | 142.9 | 162.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 344 | P | 43.9 | Very low | 34.7 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | | | cis | -119.4 | 159.2 | 3.5 | 38.1 | -25.4 | 0 | 0 | 0 | 116.4 | | |
| 345 | M | 33.4 | Very low | 35.1 | Very low | 191 Ų | 191 | 137 Ų | 137 | 94% | 0.941 | 79% | 0.79 | S | S | * | * | | | | -159.3 | 155.4 | 126.5 | -107 | -55.9 | -178.4 | 0 | 0 | 109.9 | | |
| 346 | K | 37.2 | Very low | 35.5 | Very low | 205 Ų | 205 | 138.4 Ų | 138.4 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | | | trans | -137.6 | 130 | -165.8 | -162.5 | -179 | -172.2 | -177.6 | 0 | 111.4 | | |
| 347 | G | 31.1 | Very low | 35.6 | Very low | 72 Ų | 72 | 137.4 Ų | 137.4 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | trans | 107.9 | 99 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 348 | C | 29.3 | Very low | 36.8 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | | | | -153 | 153.3 | 129.2 | -99.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 349 | P | 43.6 | Very low | 36.8 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | trans | -88.5 | 153.1 | -154.3 | 33.1 | -36.7 | 0 | 0 | 0 | 115.1 | Q351 | P349-Q351 PolarHBondContact O-N 2.96Š|
| 350 | P | 42 | Very low | 36.9 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -79.2 | 113.9 | 170.2 | 31.8 | -31.9 | 0 | 0 | 0 | 111.2 | K352 | P350-K352 PolarHBondContact O-N 3.2Š|
| 351 | Q | 35 | Very low | 37.2 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | | | trans | -70.6 | 95.9 | 163.5 | -94.4 | -71.3 | 11.3 | 0 | 0 | 110.1 | P349 | P349-Q351 PolarHBondContact O-N 2.96Š|
| 352 | K | 32.1 | Very low | 37.3 | Very low | 189 Ų | 189 | 138.6 Ų | 138.6 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -109.4 | 110.7 | 156.9 | -96.1 | -164.9 | 173.2 | -171.1 | 0 | 108.1 | P350 G354 | P350-K352 PolarHBondContact O-N 3.2Å; K352-G354 PolarHBondContact O-N 3.37Å; K352-G354 VanDerWaalsContact O-N 3.08Å |
| 353 | Y | 32.6 | Very low | 38.2 | Very low | 213 Ų | 213 | 136.6 Ų | 136.6 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | -64.8 | 106.2 | 156.2 | -80.9 | -92.5 | 0 | 0 | 0 | 108.1 | | |
| 354 | G | 31.1 | Very low | 38.1 | Very low | 65 Ų | 65 | 138.3 Ų | 138.3 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 137.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | K352 | K352-G354 PolarHBondContact O-N 3.37Å; K352-G354 VanDerWaalsContact O-N 3.08Å |
| 355 | A | 42.2 | Very low | 37.7 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 123.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 356 | P | 41.9 | Very low | 37.7 | Very low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 129.2 | 162.9 | 34.1 | -26.4 | 0 | 0 | 0 | 110.6 | | |
| 357 | D | 37.3 | Very low | 37.6 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | | | trans | -128.3 | 156.1 | 156.5 | -107 | -45.7 | 0 | 0 | 0 | 105.2 | | |
| 358 | P | 55.2 | Low | 37.8 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | | | cis | -135.5 | -171.3 | 0.1 | 35 | -13.6 | 0 | 0 | 0 | 114.3 | | |
| 359 | D | 31.2 | Very low | 38 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | | | trans | 102.8 | 135.4 | 135.2 | -143.7 | 41.5 | 0 | 0 | 0 | 122.2 | | |
| 360 | Y | 37.9 | Very low | 37.5 | Very low | 222 Ų | 222 | 136.2 Ų | 136.2 | 87% | 0.871 | 76% | 0.763 | S | S | * | * | | | trans | 25.4 | 126.1 | 163.3 | -103 | -98.7 | 0 | 0 | 0 | 123.5 | | |
| 361 | G | 35 | Very low | 37.2 | Very low | 81 Ų | 81 | 138 Ų | 138 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | | | trans | 166.5 | 98.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 362 | D | 37.7 | Very low | 37.2 | Very low | 138 Ų | 138 | 138 Ų | 138 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | | | trans | -118.8 | 134.1 | 162.5 | -177.9 | 33.9 | 0 | 0 | 0 | 107.1 | H364 | D362-H364 PolarHBondContact OD1-N 3.4Š|
| 363 | P | 53.1 | Low | 37.5 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | | -145.8 | 133.2 | 97.1 | 34.1 | -16 | 0 | 0 | 0 | 116 | | |
| 364 | H | 37.9 | Very low | 37.4 | Very low | 160 Ų | 160 | 126.7 Ų | 126.7 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | trans | 53.5 | 126.1 | 141.5 | -66.8 | -128 | 0 | 0 | 0 | 120.4 | D362 | D362-H364 PolarHBondContact OD1-N 3.4Š|
| 365 | H | 34.4 | Very low | 37.5 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | | | | 174.3 | 146.1 | 101.4 | -139.9 | -104.9 | 0 | 0 | 0 | 114.9 | | |
| 366 | S | 34.2 | Very low | 37 | Very low | 80 Ų | 80 | 133.7 Ų | 133.7 | 56% | 0.559 | 77% | 0.774 | S | S | * | * | | | trans | 41.4 | 119.3 | 155.7 | -78.2 | 0 | 0 | 0 | 0 | 126.4 | | |
| 367 | L | 35.4 | Very low | 36.8 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | | | | 64.8 | 117.3 | 115.2 | -58.4 | 173.6 | 0 | 0 | 0 | 123.9 | | |
| 368 | V | 34.5 | Very low | 38 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | | 84.1 | 138.3 | 118.8 | 173.3 | 0 | 0 | 0 | 0 | 122.6 | | |
| 369 | Q | 34.1 | Very low | 37 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | 57.7 | 100.5 | 159.4 | -80.6 | 162.6 | -38.3 | 0 | 0 | 123.1 | | |
| 370 | A | 32.5 | Very low | 37.3 | Very low | 85 Ų | 85 | 133.2 Ų | 133.2 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | | | | 38.3 | 138.6 | 103.6 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 371 | N | 36.3 | Very low | 37.2 | Very low | 157 Ų | 157 | 129.3 Ų | 129.3 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | | | trans | 83.4 | 106.3 | 141.6 | -82 | -24 | 0 | 0 | 0 | 122.9 | | |
| 372 | N | 35 | Very low | 37.1 | Very low | 152 Ų | 152 | 133 Ų | 133 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | | 98.9 | 147.8 | 112 | -160 | 23.8 | 0 | 0 | 0 | 120.8 | | |
| 373 | A | 37.2 | Very low | 37.6 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | | | trans | 68 | 144 | 163.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 374 | G | 31.7 | Very low | 36.7 | Very low | 77 Ų | 77 | 131.4 Ų | 131.4 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | | | trans | 162.8 | 93.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 375 | Y | 31.9 | Very low | 37.9 | Very low | 242 Ų | 242 | 129.3 Ų | 129.3 | 95% | 0.949 | 76% | 0.762 | S | S | * | * | | | trans | -76.6 | 155.8 | 179.4 | -69.2 | -105.9 | 0 | 0 | 0 | 113.1 | | |
| 376 | G | 33.6 | Very low | 37.8 | Very low | 75 Ų | 75 | 127.1 Ų | 127.1 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | trans | 161.5 | 119.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 377 | T | 36.1 | Very low | 38 | Very low | 138 Ų | 138 | 133 Ų | 133 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | | | trans | -143.4 | 176.8 | 169.4 | 56.9 | 0 | 0 | 0 | 0 | 109 | | |
| 378 | P | 62.5 | Low | 38.2 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | | | | -136 | 145.7 | -59.3 | 37.7 | -22.2 | 0 | 0 | 0 | 114.8 | | |
| 379 | T | 35.4 | Very low | 38.2 | Very low | 141 Ų | 141 | 130 Ų | 130 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | | | trans | -151.1 | 148.9 | 161.9 | 37.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 380 | N | 35.9 | Very low | 38.3 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 68% | 0.679 | 78% | 0.779 | S | S | * | * | | | cis | 107.9 | 124.3 | 11.7 | -161.6 | -92.6 | 0 | 0 | 0 | 113.9 | | |
| 381 | M | 36.3 | Very low | 38.4 | Very low | 140 Ų | 140 | 125.8 Ų | 125.8 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | | | trans | 68.9 | 157.6 | -176 | -55.1 | -61.4 | 98.6 | 0 | 0 | 116.1 | | |
| 382 | Q | 34.3 | Very low | 38.7 | Very low | 157 Ų | 157 | 123.7 Ų | 123.7 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | cis | -157.9 | 151.9 | -28.3 | -96 | -77.9 | -11.7 | 0 | 0 | 106.8 | | |
| 383 | P | 47.1 | Very low | 38.8 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | | | trans | -106.8 | 170 | -174.8 | 38.9 | -31 | 0 | 0 | 0 | 115.5 | | |
| 384 | S | 34.3 | Very low | 38.9 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | 105.5 | 159.5 | 166.6 | -50.2 | 0 | 0 | 0 | 0 | 116 | | |
| 385 | P | 62.2 | Low | 39.5 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | cis | -134.3 | -166.4 | -30.9 | 30.8 | -9.7 | 0 | 0 | 0 | 112.5 | | |
| 386 | V | 32.3 | Very low | 40.3 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | trans | 151.8 | 134.8 | 130.6 | 161.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 387 | Y | 39.2 | Very low | 41 | Very low | 204 Ų | 204 | 130.2 Ų | 130.2 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | | | trans | 54.5 | 129.9 | 165 | -99.2 | -132.2 | 0 | 0 | 0 | 120.1 | | |
| 388 | V | 39.3 | Very low | 41.2 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | cis | 85.6 | 136.1 | 43.4 | 170.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 389 | G | 34.9 | Very low | 39.9 | Very low | 75 Ų | 75 | 126.5 Ų | 126.5 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | -175.3 | -27.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 390 | G | 37.1 | Very low | 39.9 | Very low | 88 Ų | 88 | 125.9 Ų | 125.9 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | | | trans | 69.7 | -177.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 391 | G | 33.4 | Very low | 40.3 | Very low | 85 Ų | 85 | 123.4 Ų | 123.4 | 88% | 0.876 | 78% | 0.782 | S | S | * | * | | | trans | 126.6 | 104 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 392 | S | 42.1 | Very low | 40.9 | Very low | 113 Ų | 113 | 122.6 Ų | 122.6 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | -101.5 | 158.2 | 164.7 | -58.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 393 | Y | 37.5 | Very low | 41.2 | Very low | 213 Ų | 213 | 119.9 Ų | 119.9 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | | 179.2 | 132 | 123.6 | -115.5 | -113.2 | 0 | 0 | 0 | 114.4 | | |
| 394 | V | 40.6 | Very low | 40.7 | Very low | 128 Ų | 128 | 121.4 Ų | 121.4 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | 43.7 | 152.3 | 151.8 | -55.6 | 0 | 0 | 0 | 0 | 125.5 | | |
| 395 | E | 42.6 | Very low | 40.8 | Very low | 141 Ų | 141 | 126.1 Ų | 126.1 | 66% | 0.659 | 79% | 0.788 | S | S | * | * | | | trans | -77.8 | 167.1 | 169.7 | -148.3 | 131.4 | 151 | 0 | 0 | 112.5 | M397 | E395-M397 HydrophobicContact CG-CG 4.41Å; E395-M397 WeakPolarHBondContact OE1-CE 3.25Å |
| 396 | P | 50.5 | Low | 39.5 | Very low | 130 Ų | 130 | 123.9 Ų | 123.9 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | | | | -145.4 | 163.8 | 90.8 | 38.3 | -22.4 | 0 | 0 | 0 | 116.6 | | |
| 397 | M | 46.8 | Very low | 39.8 | Very low | 161 Ų | 161 | 125.2 Ų | 125.2 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | | | trans | -102.8 | 150.7 | 173.3 | -70.5 | -97.9 | -176.6 | 0 | 0 | 112.1 | E395 | E395-M397 HydrophobicContact CG-CG 4.41Å; E395-M397 WeakPolarHBondContact OE1-CE 3.25Å |
| 398 | A | 41.6 | Very low | 39.5 | Very low | 107 Ų | 107 | 121 Ų | 121 | 88% | 0.884 | 78% | 0.779 | S | S | * | * | | | trans | 177.9 | 160.9 | 144.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 399 | G | 33.6 | Very low | 39.5 | Very low | 67 Ų | 67 | 122.9 Ų | 122.9 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | | | trans | 94.4 | 85.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 400 | S | 37 | Very low | 39.5 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | | | | 69.9 | 114.9 | 69.3 | 81 | 0 | 0 | 0 | 0 | 115.4 | | |
| 401 | G | 43.5 | Very low | 39.5 | Very low | 75 Ų | 75 | 127.2 Ų | 127.2 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | -141 | 145.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 402 | P | 49.2 | Very low | 39.8 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | | | trans | -123 | 138 | 179.1 | 37.9 | -25.6 | 0 | 0 | 0 | 115.7 | | |
| 403 | S | 39.9 | Very low | 39.7 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | 54.2 | 139.3 | 135.9 | -151.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 404 | M | 36.4 | Very low | 40.8 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | | | | 164.7 | 125.4 | 109.3 | -83.6 | -46.9 | -158 | 0 | 0 | 112.4 | | |
| 405 | Y | 37.8 | Very low | 41 | Very low | 212 Ų | 212 | 125.7 Ų | 125.7 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | | | trans | 42.3 | 147.9 | 158.2 | -45.4 | -62.1 | 0 | 0 | 0 | 121.2 | | |
| 406 | G | 33.5 | Very low | 40.8 | Very low | 68 Ų | 68 | 125.9 Ų | 125.9 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | | | cis | -178.2 | 178.6 | -0.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 407 | L | 38.8 | Very low | 40.1 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | trans | -35.7 | 159.1 | 171.6 | -89 | 56.8 | 0 | 0 | 0 | 116 | | |
| 408 | N | 34 | Very low | 39.6 | Very low | 114 Ų | 114 | 127 Ų | 127 | 61% | 0.61 | 77% | 0.772 | S | S | * | * | | | cis | -175.3 | 175.2 | 35.5 | -135.5 | -19.8 | 0 | 0 | 0 | 116.3 | | |
| 409 | H | 38.8 | Very low | 39.4 | Very low | 165 Ų | 165 | 126 Ų | 126 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | trans | 79.9 | 171.1 | 153.2 | -53.8 | -36.6 | 0 | 0 | 0 | 122.8 | | |
| 410 | L | 35.3 | Very low | 39.7 | Very low | 178 Ų | 178 | 130.4 Ų | 130.4 | 93% | 0.932 | 76% | 0.764 | S | S | * | * | | | trans | -141.7 | 139 | -156.1 | -69.7 | 163.7 | 0 | 0 | 0 | 115.2 | | |
| 411 | G | 36 | Very low | 39.8 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | | | trans | 70.7 | 179.3 | 155.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 412 | P | 41 | Very low | 39.3 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | | | cis | -124.6 | -164.8 | -2.9 | 43 | -28.2 | 0 | 0 | 0 | 114.3 | | |
| 413 | T | 39.3 | Very low | 38.8 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | -114.9 | -177.1 | 170.9 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 414 | P | 59.5 | Low | 38.5 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | | | cis | -112.4 | -150.8 | -45 | 30.4 | -9.5 | 0 | 0 | 0 | 109.8 | | |
| 415 | P | 45.3 | Very low | 38.3 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | | | | -150 | -164.8 | 90.2 | 40.8 | -21.6 | 0 | 0 | 0 | 115.4 | | |
| 416 | H | 39.8 | Very low | 38.3 | Very low | 145 Ų | 145 | 130 Ų | 130 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | trans | -140.5 | 146.4 | -169.6 | 155.2 | -69.9 | 0 | 0 | 0 | 110.5 | | |
| 417 | H | 34.2 | Very low | 39.4 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | -152 | 156.3 | 159 | -141.5 | -99.8 | 0 | 0 | 0 | 115.2 | | |
| 418 | Q | 37.5 | Very low | 39.1 | Very low | 149 Ų | 149 | 133.5 Ų | 133.5 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | | | trans | -136.7 | 158 | 170.5 | -71.1 | -173.5 | -3.9 | 0 | 0 | 109.7 | | |
| 419 | S | 37.8 | Very low | 38.9 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 59% | 0.587 | 78% | 0.778 | S | S | * | * | | | trans | 65.1 | 147.6 | 170.3 | -150.6 | 0 | 0 | 0 | 0 | 118.4 | D421 | S419-D421 PolarHBondContact OG-OD2 2.96Š|
| 420 | I | 39.2 | Very low | 38.7 | Very low | 161 Ų | 161 | 131 Ų | 131 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | | | | -152.6 | 138 | 126 | -98.1 | 157.8 | 0 | 0 | 0 | 107 | | |
| 421 | D | 38 | Very low | 38.6 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -89 | 160.1 | -177.6 | -48.5 | -105.3 | 0 | 0 | 0 | 112.3 | S419 | S419-D421 PolarHBondContact OG-OD2 2.96Š|
| 422 | Y | 33.6 | Very low | 38.5 | Very low | 234 Ų | 234 | 132 Ų | 132 | 92% | 0.918 | 77% | 0.773 | S | S | * | * | | | trans | -153.4 | 157.6 | 152.4 | -139 | -95.4 | 0 | 0 | 0 | 113.5 | | |
| 423 | N | 38.7 | Very low | 38.3 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -148.7 | 139.4 | -173.1 | 177.1 | 12.4 | 0 | 0 | 0 | 109.7 | | |
| 424 | G | 33.8 | Very low | 38.1 | Very low | 64 Ų | 64 | 135.1 Ų | 135.1 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | | | trans | 159.6 | 120.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 425 | A | 33 | Very low | 37.2 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | | | trans | 71.6 | 147 | 150.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 426 | G | 36.8 | Very low | 36.9 | Very low | 69 Ų | 69 | 138 Ų | 138 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | -101.3 | -152.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 427 | P | 56.9 | Low | 36.7 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | | -158.8 | 172.2 | 81.5 | 44.6 | -25.9 | 0 | 0 | 0 | 118.8 | | |
| 428 | M | 33.1 | Very low | 36.6 | Very low | 176 Ų | 176 | 131 Ų | 131 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | | | trans | 63.3 | 149.1 | 161.4 | -34.5 | -154.6 | 84.2 | 0 | 0 | 118.1 | | |
| 429 | S | 30.3 | Very low | 36.4 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | | | cis | -157 | 148.9 | 32.1 | -63.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 430 | T | 33.8 | Very low | 36.4 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | | | trans | 43.9 | 118.5 | 142.8 | 58.9 | 0 | 0 | 0 | 0 | 123 | | |
| 431 | T | 33.1 | Very low | 37 | Very low | 147 Ų | 147 | 125.5 Ų | 125.5 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | | -176.9 | 160.6 | 104.1 | -72.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 432 | N | 33.4 | Very low | 37 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 68% | 0.679 | 80% | 0.804 | S | S | * | * | | | trans | -119.7 | 148.5 | -163.3 | -136.7 | -34.1 | 0 | 0 | 0 | 112.9 | | |
| 433 | Q | 37.4 | Very low | 37.2 | Very low | 157 Ų | 157 | 121 Ų | 121 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | trans | 45.1 | 137.7 | 154.1 | -76.9 | 163.4 | 74.7 | 0 | 0 | 122 | | |
| 434 | H | 36.1 | Very low | 38 | Very low | 171 Ų | 171 | 119.5 Ų | 119.5 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | | | | -161.9 | 132.4 | 109.6 | -118.4 | -124.9 | 0 | 0 | 0 | 114.6 | | |
| 435 | H | 38.8 | Very low | 37.9 | Very low | 169 Ų | 169 | 122.2 Ų | 122.2 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | | | trans | 63.2 | 145.5 | 158.9 | -102.3 | -79.4 | 0 | 0 | 0 | 125.3 | | |
| 436 | V | 40.3 | Very low | 38.1 | Very low | 138 Ų | 138 | 124.3 Ų | 124.3 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | trans | -138.4 | 155.9 | 175.1 | 168.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 437 | G | 35.6 | Very low | 39.6 | Very low | 73 Ų | 73 | 126.5 Ų | 126.5 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | trans | 142.8 | 119.6 | 147.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 438 | G | 32.5 | Very low | 39.3 | Very low | 89 Ų | 89 | 126.7 Ų | 126.7 | 92% | 0.918 | 80% | 0.801 | S | S | * | * | | | trans | 92.9 | 138.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 439 | G | 33.2 | Very low | 39.6 | Very low | 83 Ų | 83 | 124.1 Ų | 124.1 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | | | cis | 169.2 | 124.2 | -12 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 440 | G | 37 | Very low | 40.1 | Very low | 75 Ų | 75 | 127.7 Ų | 127.7 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | 90.3 | 173.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 441 | P | 51.8 | Low | 41.1 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | cis | -142.3 | 156.9 | -42.6 | 39.4 | -24.6 | 0 | 0 | 0 | 115.9 | | |
| 442 | Q | 37.9 | Very low | 41.3 | Very low | 199 Ų | 199 | 126.3 Ų | 126.3 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | | | trans | 67.2 | 146 | 153.4 | -62.3 | -83.2 | 8.4 | 0 | 0 | 120.8 | | |
| 443 | G | 37 | Very low | 41.3 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | | | trans | 128.3 | 123.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 444 | P | 55.6 | Low | 41.7 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | | | trans | -118.4 | -174.9 | -178.4 | 41.5 | -31 | 0 | 0 | 0 | 115.5 | | |
| 445 | C | 32.9 | Very low | 41.8 | Very low | 121 Ų | 121 | 125 Ų | 125 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | 110.9 | 125 | 158.7 | -63.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 446 | D | 37 | Very low | 42.1 | Very low | 155 Ų | 155 | 123.6 Ų | 123.6 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | | | trans | -81.8 | -164.5 | 157.1 | -58.8 | -85.2 | 0 | 0 | 0 | 111.1 | | |
| 447 | P | 68.1 | Low | 41.9 | Very low | 116 Ų | 116 | 121.8 Ų | 121.8 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | | -101.4 | -177.6 | -112.4 | 40 | -22.9 | 0 | 0 | 0 | 113.3 | | |
| 448 | P | 50.7 | Low | 42 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | | | | -155 | -161.7 | 95.4 | 42.4 | -22.3 | 0 | 0 | 0 | 116 | | |
| 449 | T | 39.8 | Very low | 42.5 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | -70.9 | 168.6 | -171.8 | 50.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 450 | H | 39.3 | Very low | 43.1 | Very low | 174 Ų | 174 | 129.1 Ų | 129.1 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | | | trans | -24.1 | 169.4 | 158.2 | -43.9 | -82.4 | 0 | 0 | 0 | 118.7 | | |
| 451 | P | 56.5 | Low | 43.1 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | | | cis | -146.8 | -150.2 | 20.2 | 40.3 | -15.5 | 0 | 0 | 0 | 116.2 | | |
| 452 | T | 35.5 | Very low | 42.5 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | 90.8 | 144.3 | 158.1 | -51 | 0 | 0 | 0 | 0 | 117.7 | | |
| 453 | Y | 34.8 | Very low | 42.7 | Very low | 186 Ų | 186 | 126.4 Ų | 126.4 | 73% | 0.729 | 74% | 0.74 | S | S | * | * | | | cis | -171.2 | -167.1 | -32.7 | -170.9 | -111.9 | 0 | 0 | 0 | 108.4 | E455 | Y453-E455 HydrophobicContact CE1-CG 4.12Š|
| 454 | T | 44.3 | Very low | 43 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 64% | 0.644 | 75% | 0.746 | S | S | * | * | | | trans | 84.9 | 94.4 | 158.9 | -44.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 455 | E | 39.4 | Very low | 42.4 | Very low | 137 Ų | 137 | 130 Ų | 130 | 64% | 0.64 | 75% | 0.75 | S | S | * | * | | | | 85 | 147 | 78.7 | -84.3 | -162.3 | 127.5 | 0 | 0 | 113.3 | Y453 | Y453-E455 HydrophobicContact CE1-CG 4.12Š|
| 456 | L | 45.4 | Very low | 42.6 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | | | cis | -141.7 | -177.2 | -3 | -99.8 | 151.3 | 0 | 0 | 0 | 105.8 | | |
| 457 | S | 36.3 | Very low | 43.2 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | | | cis | -165.1 | 171.8 | 5.9 | -120.3 | 0 | 0 | 0 | 0 | 105.2 | | |
| 458 | A | 37.5 | Very low | 42.3 | Very low | 71 Ų | 71 | 138.7 Ų | 138.7 | 59% | 0.587 | 76% | 0.756 | S | S | * | * | | | cis | -167.5 | -166.9 | -17.9 | 0 | 0 | 0 | 0 | 0 | 105 | | |
| 459 | H | 42.6 | Very low | 42 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | | | cis | -150.1 | 172.5 | 11.9 | -72.8 | -89.5 | 0 | 0 | 0 | 110.6 | | |
| 460 | H | 44.4 | Very low | 42.3 | Very low | 164 Ų | 164 | 140 Ų | 140 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | | | trans | 53.6 | 91.8 | 150.3 | 75.7 | -109.1 | 0 | 0 | 0 | 122 | | |
| 461 | T | 39 | Very low | 43.5 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 77% | 0.767 | 76% | 0.759 | S | S | * | * | | | | 48 | 120.7 | 119 | 59.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 462 | S | 37.6 | Very low | 43 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | | 66.7 | 147.6 | 115.3 | -144.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 463 | T | 41.9 | Very low | 44.2 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | | | cis | -157.1 | 150.2 | 24.4 | -40.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 464 | Q | 43.3 | Very low | 45.5 | Very low | 186 Ų | 186 | 139.5 Ų | 139.5 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | | | trans | 36.9 | 127.7 | 156.6 | -73.3 | 170.7 | -15.5 | 0 | 0 | 121.3 | | |
| 465 | G | 43.5 | Very low | 46.2 | Very low | 84 Ų | 84 | 143.1 Ų | 143.1 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | | | trans | -86.5 | 172.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 466 | R | 37.6 | Very low | 46.5 | Very low | 236 Ų | 236 | 148.2 Ų | 148.2 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | | | trans | -143.5 | 132.7 | 171.6 | -172.1 | 171.6 | -178 | 154.3 | 0.9 | 110.8 | | |
| 467 | I | 49.8 | Very low | 46.6 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 80% | 0.795 | 81% | 0.808 | S | S | * | * | | | trans | -65 | 136.5 | 172.1 | -59.6 | 162.9 | 0 | 0 | 0 | 108.6 | | |
| 468 | Q | 48.9 | Very low | 47.1 | Very low | 182 Ų | 182 | 151.3 Ų | 151.3 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | | | trans | -117.1 | 137.3 | 167.3 | -65.4 | -168.2 | 43 | 0 | 0 | 109.5 | | |
| 469 | E | 44.3 | Very low | 47.7 | Very low | 184 Ų | 184 | 155.8 Ų | 155.8 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | | | trans | -89.9 | 166 | -169.3 | -59.1 | -167.8 | 132.4 | 0 | 0 | 113 | | |
| 470 | A | 47.2 | Very low | 48 | Very low | 89 Ų | 89 | 155.2 Ų | 155.2 | 74% | 0.736 | 83% | 0.83 | S | S | * | * | | | trans | -72.5 | 132.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K472 | A470-K472 PolarHBondContact O-N 3.49Å; A470-K472 VanDerWaalsContact O-N 3.14Å |
| 471 | P | 62.6 | Low | 48.2 | Very low | 127 Ų | 127 | 154.7 Ų | 154.7 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | | | trans | -61.9 | 114.7 | 173.5 | -24.4 | 35.1 | 0 | 0 | 0 | 112.3 | L473 | P471-L473 PolarHBondContact O-N 3.26Š|
| 472 | K | 47.6 | Very low | 48.8 | Very low | 186 Ų | 186 | 156.7 Ų | 156.7 | 81% | 0.809 | 84% | 0.839 | S | S | * | * | | | trans | -89.4 | 90.3 | -179.8 | -173.9 | 178.2 | -177.1 | 177.9 | 0 | 110.2 | A470 T474 | A470-K472 PolarHBondContact O-N 3.49Å; A470-K472 VanDerWaalsContact O-N 3.14Å; K472-T474 PolarHBondContact O-N 3.13Å |
| 473 | L | 59.1 | Low | 49.6 | Very low | 176 Ų | 176 | 160.2 Ų | 160.2 | 92% | 0.921 | 85% | 0.846 | S | S | * | * | | | trans | -72.6 | 119 | 177.2 | -137.3 | 78.1 | 0 | 0 | 0 | 110.8 | P471 | P471-L473 PolarHBondContact O-N 3.26Š|
| 474 | T | 64.1 | Low | 50.2 | Low | 106 Ų | 106 | 164.4 Ų | 164.4 | 65% | 0.65 | 86% | 0.861 | S | S | * | * | | | trans | -107.6 | 138.1 | 179 | 51.5 | 0 | 0 | 0 | 0 | 111.2 | K472 | K472-T474 PolarHBondContact O-N 3.13Š|
| 475 | H | 57.1 | Low | 50.8 | Low | 182 Ų | 182 | 162.6 Ų | 162.6 | 84% | 0.843 | 86% | 0.86 | S | S | * | * | | | trans | 37.8 | 115 | 157.5 | -88.8 | -75.9 | 0 | 0 | 0 | 119.6 | | |
| 476 | L | 47.4 | Very low | 51.4 | Low | 244 Ų | 244 | 169.7 Ų | 169.7 | 100% | 1.277 | 86% | 0.86 | S | S | * | * | | | | -135.6 | 0 | 123.2 | -103.3 | 159.5 | 0 | 0 | 0 | 107.8 | | |