| 1 | M | 38.5 | Very low | 41.7 | Very low | 228 Ų | 228 | 165.5 Ų | 165.5 | 100% | 1.123 | 86% | 0.859 | S | S | * | * | | | | 0 | 142.5 | 0 | -61.7 | 175 | -176.1 | 0 | 0 | 106.7 | | |
| 2 | L | 41.9 | Very low | 42.2 | Very low | 155 Ų | 155 | 164.7 Ų | 164.7 | 81% | 0.812 | 86% | 0.855 | S | S | * | * | | | trans | 63.6 | 139.1 | -174.9 | -57.8 | 115.4 | 0 | 0 | 0 | 113.1 | | |
| 3 | F | 40.4 | Very low | 43.3 | Very low | 193 Ų | 193 | 161.8 Ų | 161.8 | 85% | 0.846 | 85% | 0.853 | S | S | * | * | | | | 64.3 | 133.7 | 50.2 | -71.1 | -84.8 | 0 | 0 | 0 | 111.5 | | |
| 4 | E | 43.9 | Very low | 43.1 | Very low | 147 Ų | 147 | 161.9 Ų | 161.9 | 69% | 0.687 | 85% | 0.847 | S | S | * | * | | | cis | -154.2 | 177.2 | 17.8 | -156.8 | -163.6 | 104.3 | 0 | 0 | 111.4 | | |
| 5 | Q | 44.8 | Very low | 43 | Very low | 178 Ų | 178 | 159.7 Ų | 159.7 | 83% | 0.832 | 85% | 0.848 | S | S | * | * | | | trans | 71.1 | 131.7 | 147.9 | -136.8 | 172.5 | 99 | 0 | 0 | 118.1 | | |
| 6 | G | 39.7 | Very low | 43.2 | Very low | 73 Ų | 73 | 154.9 Ų | 154.9 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | | | cis | -176.7 | 140.6 | -10.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 7 | Q | 43.5 | Very low | 43.4 | Very low | 197 Ų | 197 | 157.2 Ų | 157.2 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | | | trans | -100.7 | 136.1 | 175.8 | -71 | -176.8 | -9.3 | 0 | 0 | 110.8 | | |
| 8 | Q | 43.7 | Very low | 43.5 | Very low | 191 Ų | 191 | 158.6 Ų | 158.6 | 89% | 0.893 | 84% | 0.836 | S | S | * | * | | | trans | -132.9 | 116.5 | 159.9 | -79.4 | -175.6 | 2.5 | 0 | 0 | 109.5 | | |
| 9 | A | 40.9 | Very low | 43.6 | Very low | 95 Ų | 95 | 160.9 Ų | 160.9 | 79% | 0.785 | 84% | 0.838 | S | S | * | * | | | trans | -92.1 | 136.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | E11 | A9-E11 PolarHBondContact O-N 3.39Š|
| 10 | L | 41.3 | Very low | 43.2 | Very low | 177 Ų | 177 | 158 Ų | 158 | 93% | 0.927 | 84% | 0.839 | S | S | * | * | | | trans | -90.7 | 96.3 | 168.8 | -71.5 | 173.5 | 0 | 0 | 0 | 108.5 | | |
| 11 | E | 40 | Very low | 43 | Very low | 186 Ų | 186 | 154.6 Ų | 154.6 | 87% | 0.869 | 83% | 0.833 | S | S | * | * | | | trans | -81.4 | 149.6 | 176 | -169.6 | 166.4 | -146.3 | 0 | 0 | 111.5 | A9 | A9-E11 PolarHBondContact O-N 3.39Š|
| 12 | L | 47.1 | Very low | 42.7 | Very low | 156 Ų | 156 | 153 Ų | 153 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | | | trans | -82.9 | 136.6 | 178.8 | -65.4 | 167.2 | 0 | 0 | 0 | 110.2 | E14 | L12-E14 PolarHBondContact O-N 3.33Š|
| 13 | P | 56.5 | Low | 42.5 | Very low | 128 Ų | 128 | 154 Ų | 154 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | | | trans | -68.8 | 115.9 | 179.2 | 26.8 | -33.5 | 0 | 0 | 0 | 111.8 | | |
| 14 | E | 40.8 | Very low | 42.2 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | | | trans | -72.3 | 130.7 | 175.4 | -167.8 | -170 | 163.7 | 0 | 0 | 111.6 | L12 T16 | L12-E14 PolarHBondContact O-N 3.33Å; E14-T16 HydrophobicContact CB-CG2 4.45Å; E14-T16 HydrophobicContact CG-CG2 4.07Å; E14-T16 PolarHBondContact O-N 2.68Å |
| 15 | C | 41.4 | Very low | 41.6 | Very low | 129 Ų | 129 | 150.5 Ų | 150.5 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | | | trans | -79.2 | 80.8 | 176.5 | -170.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 16 | T | 46.1 | Very low | 42.1 | Very low | 84 Ų | 84 | 146.8 Ų | 146.8 | 52% | 0.515 | 79% | 0.792 | S | S | . | * | | | trans | -86.5 | 120.7 | 176.9 | 51 | 0 | 0 | 0 | 0 | 111.7 | E14 Q18 | E14-T16 HydrophobicContact CB-CG2 4.45Å; E14-T16 HydrophobicContact CG-CG2 4.07Å; E14-T16 PolarHBondContact O-N 2.68Å; T16-Q18 PolarHBondContact O-N 2.71Å |
| 17 | M | 46.8 | Very low | 41.9 | Very low | 194 Ų | 194 | 147 Ų | 147 | 96% | 0.956 | 80% | 0.795 | S | S | * | * | | | trans | -68.2 | 110.6 | 175.4 | -84.1 | -172.1 | 161.1 | 0 | 0 | 111.2 | | |
| 18 | Q | 44.9 | Very low | 41.8 | Very low | 181 Ų | 181 | 145.2 Ų | 145.2 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | -86.2 | 123.2 | 173 | -65.5 | -169.8 | 3.1 | 0 | 0 | 111.7 | T16 A20 | T16-Q18 PolarHBondContact O-N 2.71Å; Q18-A20 PolarHBondContact O-N 2.91Å |
| 19 | K | 45.6 | Very low | 41.4 | Very low | 203 Ų | 203 | 145.9 Ų | 145.9 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | | | trans | -84.3 | 96.5 | 179.1 | 175.1 | -172.3 | 169.8 | -172.3 | 0 | 109.7 | | |
| 20 | A | 35.3 | Very low | 41 | Very low | 103 Ų | 103 | 145 Ų | 145 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -68.7 | 134 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q18 | Q18-A20 PolarHBondContact O-N 2.91Š|
| 21 | A | 40.3 | Very low | 40.7 | Very low | 86 Ų | 86 | 140.2 Ų | 140.2 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | -154.5 | 149.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 22 | Y | 31.2 | Very low | 40.5 | Very low | 195 Ų | 195 | 143 Ų | 143 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | | | trans | 84 | 129.3 | 157 | -127.3 | -120.3 | 0 | 0 | 0 | 119.9 | | |
| 23 | Y | 37.2 | Very low | 39.8 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | | | trans | 68.8 | 144.4 | 160.3 | -85.6 | -145.8 | 0 | 0 | 0 | 117.9 | | |
| 24 | E | 35.6 | Very low | 38.8 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 51% | 0.514 | 79% | 0.793 | S | S | . | * | | | cis | -159 | 154.3 | -8.1 | -124.8 | -70.9 | 152.1 | 0 | 0 | 109.6 | | |
| 25 | N | 31.8 | Very low | 38.4 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | | | trans | -166.2 | 132.6 | 143.8 | -120.1 | -96.8 | 0 | 0 | 0 | 111.7 | | |
| 26 | P | 54 | Low | 38 | Very low | 100 Ų | 100 | 144.9 Ų | 144.9 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | | | trans | -94.3 | 151.6 | -172.3 | 35.9 | -36 | 0 | 0 | 0 | 114.3 | | |
| 27 | G | 36.2 | Very low | 37.4 | Very low | 78 Ų | 78 | 146.7 Ų | 146.7 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -147.2 | 102.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 28 | L | 40.8 | Very low | 36.7 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | -51.4 | 145 | 173.5 | -75.4 | 54.3 | 0 | 0 | 0 | 110.4 | | |
| 29 | F | 35.4 | Very low | 36.3 | Very low | 204 Ų | 204 | 141.8 Ų | 141.8 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | | | | -175.1 | 124.9 | 71.3 | -173 | -94.9 | 0 | 0 | 0 | 113.6 | | |
| 30 | G | 33.7 | Very low | 35.7 | Very low | 76 Ų | 76 | 138.2 Ų | 138.2 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | | | trans | 75.9 | 147.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 31 | G | 34 | Very low | 35.8 | Very low | 77 Ų | 77 | 144.3 Ų | 144.3 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | cis | 160.1 | 98.7 | -4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 32 | Y | 36.6 | Very low | 35.4 | Very low | 245 Ų | 245 | 143.4 Ų | 143.4 | 96% | 0.961 | 79% | 0.789 | S | S | * | * | | | trans | -49.3 | 149.9 | -173.1 | -60.6 | -94 | 0 | 0 | 0 | 117.1 | | |
| 33 | G | 32.3 | Very low | 35.7 | Very low | 79 Ų | 79 | 145.3 Ų | 145.3 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | | | trans | -168.2 | 105.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 34 | Y | 35 | Very low | 35.7 | Very low | 237 Ų | 237 | 141 Ų | 141 | 93% | 0.929 | 79% | 0.792 | S | S | * | * | | | trans | -114.5 | 122 | 172.1 | -166.3 | -84.1 | 0 | 0 | 0 | 108.8 | | |
| 35 | S | 32.7 | Very low | 35.4 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | -140.8 | 166.4 | 179.3 | 57.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 36 | K | 33.5 | Very low | 36.9 | Very low | 180 Ų | 180 | 140 Ų | 140 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | trans | -136.7 | 144.7 | -157 | -175 | -167.1 | -179.8 | -170 | 0 | 110.7 | | |
| 37 | T | 32.2 | Very low | 36 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | | | trans | 61.7 | 146 | 175.6 | 41.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 38 | T | 32.8 | Very low | 35.9 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | | | cis | -144 | -178.3 | 31.4 | 48.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 39 | D | 36.8 | Very low | 36.4 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | | | trans | -68 | 158.9 | -178.4 | -44.7 | -107.4 | 0 | 0 | 0 | 116.4 | | |
| 40 | T | 31.9 | Very low | 35.9 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | trans | 174 | 121.3 | 143 | -81.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 41 | Y | 38.2 | Very low | 36.9 | Very low | 231 Ų | 231 | 147.1 Ų | 147.1 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | | | trans | 12.6 | 150.3 | 156.2 | -56.3 | -97.1 | 0 | 0 | 0 | 122.7 | | |
| 42 | G | 32.4 | Very low | 38.2 | Very low | 68 Ų | 68 | 149 Ų | 149 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | cis | 168.8 | 171.6 | -1.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 43 | Y | 35.9 | Very low | 39.1 | Very low | 234 Ų | 234 | 142.6 Ų | 142.6 | 92% | 0.918 | 78% | 0.775 | S | S | * | * | | | trans | 25.7 | 147.8 | 157.4 | -89 | -122.5 | 0 | 0 | 0 | 122.8 | | |
| 44 | S | 37.8 | Very low | 39.4 | Very low | 86 Ų | 86 | 143.5 Ų | 143.5 | 60% | 0.601 | 78% | 0.775 | S | S | * | * | | | cis | 177.1 | 148.3 | -7.4 | 53.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 45 | N | 29.9 | Very low | 39.5 | Very low | 155 Ų | 155 | 137 Ų | 137 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | | | trans | 61.3 | 175.8 | 146.3 | -97.8 | 9.3 | 0 | 0 | 0 | 121.6 | | |
| 46 | P | 63.3 | Low | 39.7 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 59% | 0.591 | 77% | 0.766 | S | S | * | * | | | cis | -143.6 | 179.6 | -43.4 | 40.6 | -23.2 | 0 | 0 | 0 | 118 | | |
| 47 | H | 33.8 | Very low | 39.7 | Very low | 187 Ų | 187 | 134.8 Ų | 134.8 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | | | trans | 96.2 | 150.3 | 143 | -74.7 | -45.7 | 0 | 0 | 0 | 126 | | |
| 48 | Q | 35.5 | Very low | 39.8 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | | | trans | -101.5 | -174.1 | 177.7 | -91 | -98.2 | -19.7 | 0 | 0 | 109.6 | | |
| 49 | P | 50.2 | Low | 40.1 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | | | cis | -153.9 | 170.6 | 27.9 | 46.6 | -24.9 | 0 | 0 | 0 | 121.4 | | |
| 50 | Y | 26.4 | Very low | 40.1 | Very low | 208 Ų | 208 | 135.1 Ų | 135.1 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | | | trans | 37.3 | 172.1 | 136.5 | -80.4 | -98.5 | 0 | 0 | 0 | 124 | | |
| 51 | P | 53.6 | Low | 40.4 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | cis | -132.6 | -130.7 | -17.3 | 40.9 | -16.7 | 0 | 0 | 0 | 115.4 | | |
| 52 | P | 60.9 | Low | 40.2 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | | | trans | -127.6 | -134.3 | -142.3 | 36.7 | -6.9 | 0 | 0 | 0 | 113.1 | | |
| 53 | P | 56.7 | Low | 40.3 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | cis | -142 | -174.8 | -20.7 | 40.3 | -19.7 | 0 | 0 | 0 | 118.1 | | |
| 54 | A | 38.4 | Very low | 41.1 | Very low | 98 Ų | 98 | 130.7 Ų | 130.7 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | | | trans | 98.8 | 139 | 136.4 | 0 | 0 | 0 | 0 | 0 | 125.9 | | |
| 55 | A | 36.1 | Very low | 40.9 | Very low | 99 Ų | 99 | 130 Ų | 130 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | 85.3 | 89.3 | 141.3 | 0 | 0 | 0 | 0 | 0 | 125.2 | | |
| 56 | A | 36.7 | Very low | 41.6 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | trans | 20.3 | 133.5 | 131.3 | 0 | 0 | 0 | 0 | 0 | 125.7 | | |
| 57 | N | 34.6 | Very low | 40.3 | Very low | 161 Ų | 161 | 128.2 Ų | 128.2 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | | | | 175.6 | 130.3 | 126.8 | -86.7 | -29.3 | 0 | 0 | 0 | 108.1 | | |
| 58 | S | 34.4 | Very low | 40.2 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | cis | 98.4 | 93.4 | 40.4 | -171.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 59 | L | 39.4 | Very low | 40.2 | Very low | 163 Ų | 163 | 123.9 Ų | 123.9 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | | | trans | 176.6 | 156.7 | 146.6 | -104.8 | 163.9 | 0 | 0 | 0 | 113.6 | | |
| 60 | D | 37 | Very low | 39.6 | Very low | 137 Ų | 137 | 127 Ų | 127 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | | | trans | -132.4 | -177.6 | -172.7 | -60.2 | -93.5 | 0 | 0 | 0 | 109.5 | | |
| 61 | T | 37.5 | Very low | 40 | Very low | 117 Ų | 117 | 126 Ų | 126 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | | | cis | -156.6 | 172.5 | 15.9 | -27.6 | 0 | 0 | 0 | 0 | 111 | | |
| 62 | D | 34.3 | Very low | 38.9 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | | | trans | 70.9 | 129 | 151.5 | -89.5 | -64.7 | 0 | 0 | 0 | 122.1 | | |
| 63 | Y | 34.1 | Very low | 37.8 | Very low | 197 Ų | 197 | 127.1 Ų | 127.1 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -158 | 103 | 161.6 | -167 | -83.7 | 0 | 0 | 0 | 112 | | |
| 64 | P | 52.7 | Low | 36.8 | Very low | 108 Ų | 108 | 126 Ų | 126 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 141.1 | 170.7 | 32.9 | -32 | 0 | 0 | 0 | 112.4 | | |
| 65 | G | 34.3 | Very low | 37.5 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 149.6 | -174 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 66 | S | 44.7 | Very low | 37.3 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 132.3 | -177.7 | -45.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 67 | A | 34.4 | Very low | 37.1 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 146.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | S69 | A67-S69 PolarHBondContact O-N 3.2Š|
| 68 | C | 31.5 | Very low | 37 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 90% | 0.899 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 123.1 | -179.9 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 69 | S | 35.6 | Very low | 37.5 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | trans | -123.4 | 130.9 | 169.6 | -71.6 | 0 | 0 | 0 | 0 | 109.6 | A67 | A67-S69 PolarHBondContact O-N 3.2Š|
| 70 | I | 38.4 | Very low | 37.4 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | | | trans | -116.9 | 132.7 | 174.2 | -52.7 | -179.8 | 0 | 0 | 0 | 108 | | |
| 71 | Q | 34.8 | Very low | 37.4 | Very low | 189 Ų | 189 | 133.1 Ų | 133.1 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -80.7 | 149.7 | -174.9 | -63.6 | 168.8 | -21.5 | 0 | 0 | 112 | | |
| 72 | S | 30.7 | Very low | 37.2 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | | | trans | -138.9 | 119.1 | 159.3 | -77 | 0 | 0 | 0 | 0 | 109.4 | | |
| 73 | S | 36.9 | Very low | 37 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -95 | 143.4 | 176.4 | 48.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 74 | A | 36.3 | Very low | 37 | Very low | 90 Ų | 90 | 129.2 Ų | 129.2 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | | | trans | -74.7 | 178.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 75 | P | 52.4 | Low | 36.1 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | | | | -152.2 | -172.9 | 57.7 | 32.9 | -6.5 | 0 | 0 | 0 | 117.9 | | |
| 76 | L | 33.3 | Very low | 36.4 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 80% | 0.801 | 83% | 0.828 | S | S | * | * | | | trans | 95.1 | 95.8 | 154.6 | -52.5 | -175.7 | 0 | 0 | 0 | 121.8 | | |
| 77 | R | 32.3 | Very low | 36 | Very low | 240 Ų | 240 | 140.6 Ų | 140.6 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | | | | 63.1 | 122.4 | 109.9 | -160.8 | 172.7 | -170.2 | 134.3 | 1.6 | 120.7 | | |
| 78 | A | 32.4 | Very low | 36 | Very low | 83 Ų | 83 | 139.3 Ų | 139.3 | 69% | 0.686 | 83% | 0.828 | S | S | * | * | | | trans | -82.6 | 171.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 79 | P | 44.7 | Very low | 36.5 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | | | | -139.2 | -179.3 | 96.9 | 39.6 | -27.1 | 0 | 0 | 0 | 114.6 | | |
| 80 | A | 38 | Very low | 36.3 | Very low | 88 Ų | 88 | 137.3 Ų | 137.3 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | trans | -112.7 | 159.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 81 | H | 35.4 | Very low | 36.6 | Very low | 196 Ų | 196 | 136.5 Ų | 136.5 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | | | trans | -139.9 | 167.7 | 163.6 | -87.3 | -80.8 | 0 | 0 | 0 | 111.8 | | |
| 82 | K | 34.9 | Very low | 37.2 | Very low | 211 Ų | 211 | 137.5 Ų | 137.5 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | | | trans | -118.1 | 160.1 | -170.1 | -55.2 | 174.2 | 179.5 | 177.5 | 0 | 112.1 | | |
| 83 | G | 30.2 | Very low | 38.2 | Very low | 75 Ų | 75 | 136.1 Ų | 136.1 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | 119.5 | 152.7 | 133.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 84 | A | 33.8 | Very low | 38.3 | Very low | 90 Ų | 90 | 133.8 Ų | 133.8 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | | | trans | 46.7 | 114.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 85 | E | 32.4 | Very low | 38.5 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | | 61.4 | 100.8 | 67 | -63.2 | -169.4 | 133.2 | 0 | 0 | 114.8 | | |
| 86 | L | 42 | Very low | 37.6 | Very low | 184 Ų | 184 | 134.5 Ų | 134.5 | 96% | 0.963 | 79% | 0.794 | S | S | * | * | | | trans | -138.1 | 125.2 | 140.5 | -78 | -177 | 0 | 0 | 0 | 109 | | |
| 87 | N | 35.4 | Very low | 37.8 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | | | trans | -100.1 | 145.4 | -178.6 | 177.7 | 6.3 | 0 | 0 | 0 | 109.8 | | |
| 88 | G | 33.9 | Very low | 38.2 | Very low | 67 Ų | 67 | 127.5 Ų | 127.5 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | -170.6 | 71.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 89 | S | 41.8 | Very low | 38.6 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | 48.5 | 148.5 | 140.6 | -72.8 | 0 | 0 | 0 | 0 | 122.5 | | |
| 90 | C | 31.6 | Very low | 38.2 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | | | cis | -169.9 | 174.5 | -14.5 | 56.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 91 | M | 45.7 | Very low | 38 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | | | trans | 71.8 | 141.8 | 172.1 | -59.8 | -59.3 | 106.1 | 0 | 0 | 117 | | |
| 92 | R | 47 | Very low | 37.9 | Very low | 210 Ų | 210 | 124.8 Ų | 124.8 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | | | cis | -161.6 | -169.5 | -21.6 | -151.5 | -178.6 | 176.8 | -110.3 | 0.3 | 109.1 | | |
| 93 | P | 52.7 | Low | 37.8 | Very low | 103 Ų | 103 | 118 Ų | 118 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | | | | -67.5 | 161.5 | -120.6 | 41.2 | -31.9 | 0 | 0 | 0 | 114.9 | | |
| 94 | G | 39 | Very low | 38 | Very low | 70 Ų | 70 | 120.4 Ų | 120.4 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | | | cis | 89 | 125.3 | 43.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 95 | T | 38.7 | Very low | 38.2 | Very low | 150 Ų | 150 | 122 Ų | 122 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | | | cis | -125 | 174.7 | 38.1 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 96 | G | 34.7 | Very low | 38.6 | Very low | 67 Ų | 67 | 121.9 Ų | 121.9 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | cis | 153.4 | 110.6 | -12.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 97 | N | 37.9 | Very low | 39 | Very low | 165 Ų | 165 | 118.5 Ų | 118.5 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | | | trans | 62.8 | 150.6 | 167 | -81.8 | 22.5 | 0 | 0 | 0 | 119.1 | | |
| 98 | S | 40.9 | Very low | 39.3 | Very low | 81 Ų | 81 | 116.9 Ų | 116.9 | 57% | 0.566 | 78% | 0.783 | S | S | * | * | | | cis | -161.1 | 149.2 | -5.3 | 37.9 | 0 | 0 | 0 | 0 | 113 | | |
| 99 | Q | 40.9 | Very low | 39.4 | Very low | 189 Ų | 189 | 117.1 Ų | 117.1 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | 63.8 | 145.7 | 154.6 | -70.4 | 154.3 | -33.1 | 0 | 0 | 118.6 | | |
| 100 | G | 35 | Very low | 39.6 | Very low | 80 Ų | 80 | 120.5 Ų | 120.5 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | cis | 136.1 | 120.6 | -7.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 101 | G | 33.9 | Very low | 39.9 | Very low | 85 Ų | 85 | 122.6 Ų | 122.6 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | | | trans | 156.4 | 104.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 102 | G | 34.1 | Very low | 39.4 | Very low | 85 Ų | 85 | 120.6 Ų | 120.6 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | | | trans | -104.2 | 154.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 103 | G | 32.8 | Very low | 39 | Very low | 68 Ų | 68 | 119 Ų | 119 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | | | trans | -177.4 | 140.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 104 | S | 33.6 | Very low | 38.6 | Very low | 125 Ų | 125 | 123 Ų | 123 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | trans | 45 | 114.1 | 156.7 | 56.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 105 | S | 37.5 | Very low | 38.9 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | | | trans | -91.8 | 120.6 | 158.7 | 42 | 0 | 0 | 0 | 0 | 111.7 | | |
| 106 | Q | 41.6 | Very low | 39.7 | Very low | 182 Ų | 182 | 126.4 Ų | 126.4 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | | | trans | -143.6 | 158.2 | 158.9 | -106.1 | -165.8 | -18.3 | 0 | 0 | 109.8 | | |
| 107 | P | 49.5 | Very low | 40.7 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 139.9 | -162.4 | 32.6 | -35 | 0 | 0 | 0 | 113.8 | | |
| 108 | P | 43.5 | Very low | 41.6 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 131 | 159.5 | -15.1 | 30.4 | 0 | 0 | 0 | 110.3 | | |
| 109 | G | 34.5 | Very low | 42.8 | Very low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 173.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | N111 | G109-N111 PolarHBondContact O-N 3.28Š|
| 110 | L | 45.8 | Very low | 44.1 | Very low | 184 Ų | 184 | 127.6 Ų | 127.6 | 96% | 0.963 | 81% | 0.81 | S | S | * | * | | | trans | -64.4 | 113.4 | 172.1 | -70.4 | 164.4 | 0 | 0 | 0 | 110.6 | | |
| 111 | N | 37.7 | Very low | 45.8 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 75% | 0.749 | 81% | 0.807 | S | S | * | * | | | trans | -148.6 | 125.2 | 149.8 | -146.9 | 1.4 | 0 | 0 | 0 | 110.2 | G109 | G109-N111 PolarHBondContact O-N 3.28Š|
| 112 | S | 37 | Very low | 47.4 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | trans | -134.5 | 66.7 | 178.7 | -70.6 | 0 | 0 | 0 | 0 | 109 | | |
| 113 | E | 37.3 | Very low | 48.9 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | | | trans | -65.6 | 133.7 | 172.1 | -165.2 | 171.9 | 99.3 | 0 | 0 | 109.9 | Q115 | E113-Q115 PolarHBondContact O-N 3.44Š|
| 114 | Q | 44.5 | Very low | 50.3 | Low | 187 Ų | 187 | 134.9 Ų | 134.9 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | -89.9 | 94.9 | -165.9 | -70.2 | 175.4 | -22.9 | 0 | 0 | 111.5 | | |
| 115 | Q | 45.6 | Very low | 51 | Low | 187 Ų | 187 | 135.6 Ų | 135.6 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 128.3 | 171.3 | -157.6 | 171.8 | 31.7 | 0 | 0 | 110.4 | E113 | E113-Q115 PolarHBondContact O-N 3.44Š|
| 116 | P | 55.6 | Low | 51.7 | Low | 104 Ų | 104 | 137.4 Ų | 137.4 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 148.9 | -174.7 | 27.4 | -35 | 0 | 0 | 0 | 112.6 | Q118 | P116-Q118 PolarHBondContact O-N 3.48Š|
| 117 | P | 55.6 | Low | 52.6 | Low | 129 Ų | 129 | 133.7 Ų | 133.7 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 126.8 | -176.3 | 27.6 | -34.5 | 0 | 0 | 0 | 112.2 | | |
| 118 | Q | 57.1 | Low | 52.5 | Low | 177 Ų | 177 | 134.1 Ų | 134.1 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 143.3 | 170 | -71.6 | -95.4 | -30.8 | 0 | 0 | 111 | P116 | P116-Q118 PolarHBondContact O-N 3.48Š|
| 119 | P | 65.4 | Low | 52.2 | Low | 105 Ų | 105 | 133.5 Ų | 133.5 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 151.7 | 173.9 | 29.7 | -34.7 | 0 | 0 | 0 | 111.4 | | |
| 120 | P | 68.9 | Low | 52.7 | Low | 116 Ų | 116 | 135.6 Ų | 135.6 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 149.9 | 177.3 | 29.1 | -35.3 | 0 | 0 | 0 | 111.6 | | |
| 121 | P | 70 | Confident | 52.9 | Low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 150 | 178.8 | 27.5 | -35.2 | 0 | 0 | 0 | 111.9 | | |
| 122 | P | 67.6 | Low | 53 | Low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 153.3 | 177.8 | 28.4 | -35.2 | 0 | 0 | 0 | 111.9 | | |
| 123 | P | 66.9 | Low | 53 | Low | 113 Ų | 113 | 134.1 Ų | 134.1 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 150.5 | 176.6 | 29 | -35.5 | 0 | 0 | 0 | 111.4 | T125 | P123-T125 PolarHBondContact O-N 3.47Š|
| 124 | P | 60.5 | Low | 53.3 | Low | 124 Ų | 124 | 131.5 Ų | 131.5 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 123.5 | -179.2 | 25.9 | -34.3 | 0 | 0 | 0 | 111.2 | | |
| 125 | T | 48.5 | Very low | 52.9 | Low | 140 Ų | 140 | 126 Ų | 126 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69 | 127.6 | 173.6 | 36.5 | 0 | 0 | 0 | 0 | 110.5 | P123 | P123-T125 PolarHBondContact O-N 3.47Š|
| 126 | L | 53.8 | Low | 52.3 | Low | 161 Ų | 161 | 121 Ų | 121 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 142 | 174.5 | -65.1 | 173.2 | 0 | 0 | 0 | 110.1 | | |
| 127 | P | 60.3 | Low | 51.3 | Low | 103 Ų | 103 | 119.9 Ų | 119.9 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 143 | 179.9 | 28.4 | -34.8 | 0 | 0 | 0 | 111.6 | S129 | P127-S129 PolarHBondContact O-N 3.39Š|
| 128 | P | 45.8 | Very low | 50.7 | Low | 124 Ų | 124 | 120.5 Ų | 120.5 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 125.8 | 174.4 | 27.5 | -33.7 | 0 | 0 | 0 | 110.2 | | |
| 129 | S | 36.9 | Very low | 50.5 | Low | 117 Ų | 117 | 117.7 Ų | 117.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -93.2 | 108.4 | -179.6 | -63.3 | 0 | 0 | 0 | 0 | 110.8 | P127 | P127-S129 PolarHBondContact O-N 3.39Š|
| 130 | S | 45.6 | Very low | 49.4 | Very low | 116 Ų | 116 | 117 Ų | 117 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | -124.4 | 125.5 | 175.8 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 131 | P | 49.5 | Very low | 48 | Very low | 128 Ų | 128 | 121.4 Ų | 121.4 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | | | trans | -115.7 | 135 | 156.1 | 34 | -24.6 | 0 | 0 | 0 | 112.2 | | |
| 132 | T | 41.6 | Very low | 46.9 | Very low | 132 Ų | 132 | 125.2 Ų | 125.2 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -72.2 | 145.1 | -172.7 | -39.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 133 | N | 36.3 | Very low | 46.2 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | | | trans | -155.8 | 143.9 | 136.8 | -123.5 | -93.3 | 0 | 0 | 0 | 109.3 | G135 | N133-G135 PolarHBondContact OD1-N 3.08Å; N133-G135 VanDerWaalsContact OD1-N 3.12Å |
| 134 | P | 43.4 | Very low | 45.1 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | | | | -144.4 | 145.6 | 79.1 | 37.3 | -20.8 | 0 | 0 | 0 | 117 | | |
| 135 | G | 35.6 | Very low | 43.8 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | | | trans | 99.5 | 125.7 | 139.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | N133 | N133-G135 PolarHBondContact OD1-N 3.08Å; N133-G135 VanDerWaalsContact OD1-N 3.12Å |
| 136 | G | 34.4 | Very low | 43.5 | Very low | 80 Ų | 80 | 125.5 Ų | 125.5 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | 159.1 | 117.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 137 | G | 34.1 | Very low | 44 | Very low | 81 Ų | 81 | 123.9 Ų | 123.9 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | | | trans | 69.2 | 100.4 | 145.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 138 | V | 41.9 | Very low | 42.9 | Very low | 143 Ų | 143 | 127 Ų | 127 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | | | trans | -80.2 | 165.4 | 147.8 | -77.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 139 | P | 52.9 | Low | 42.9 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | | | cis | -150.5 | 167.9 | 30 | 43.7 | -22.7 | 0 | 0 | 0 | 121.2 | | |
| 140 | A | 42 | Very low | 43.1 | Very low | 91 Ų | 91 | 125.1 Ų | 125.1 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | | | trans | 59.3 | 120.7 | 140.7 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 141 | K | 41.3 | Very low | 43.3 | Very low | 209 Ų | 209 | 125.7 Ų | 125.7 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | | | | -163.4 | 154.6 | 106.2 | -102.7 | 166.9 | -173.8 | 177.1 | 0 | 111.9 | | |
| 142 | K | 46.7 | Very low | 42.9 | Very low | 197 Ų | 197 | 124.9 Ų | 124.9 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | | | trans | -93 | 159.5 | 168.1 | -66.2 | -177.7 | 179.1 | 176.8 | 0 | 109.5 | | |
| 143 | P | 51.2 | Low | 43 | Very low | 139 Ų | 139 | 123.1 Ų | 123.1 | 90% | 0.903 | 81% | 0.813 | S | S | * | * | | | | -128.8 | -162.2 | 97.7 | 36.6 | -27.8 | 0 | 0 | 0 | 113.5 | | |
| 144 | K | 45.8 | Very low | 43.4 | Very low | 211 Ų | 211 | 120.8 Ų | 120.8 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | | | trans | -138.6 | 134.5 | -160.4 | 173.2 | -168.3 | 179.6 | -173.1 | 0 | 109.9 | | |
| 145 | G | 33.1 | Very low | 44 | Very low | 75 Ų | 75 | 120.7 Ų | 120.7 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | -178.7 | 124.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 146 | G | 41.4 | Very low | 45 | Very low | 76 Ų | 76 | 123.5 Ų | 123.5 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | | | trans | 73.9 | 121.8 | 145.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 147 | P | 63.6 | Low | 46.2 | Very low | 127 Ų | 127 | 125 Ų | 125 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | -95.2 | 149.4 | 164.2 | 36.5 | -30.6 | 0 | 0 | 0 | 111.9 | | |
| 148 | N | 37 | Very low | 47.7 | Very low | 168 Ų | 168 | 128.8 Ų | 128.8 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | | | trans | -156.2 | 154 | 139.9 | -136 | -26.8 | 0 | 0 | 0 | 112 | | |
| 149 | A | 47.6 | Very low | 49.4 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | -89 | 140.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 150 | S | 39.9 | Very low | 50.9 | Low | 107 Ų | 107 | 127.5 Ų | 127.5 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -145.9 | 143.4 | 155.5 | 59.2 | 0 | 0 | 0 | 0 | 109.1 | S152 | S150-S152 VanDerWaalsContact C-N 3.31Å; S150-S152 PolarHBondContact O-N 3.19Å |
| 151 | S | 50.3 | Low | 52.9 | Low | 127 Ų | 127 | 128.8 Ų | 128.8 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | | | trans | -79.6 | 73.5 | -171.3 | 46.6 | 0 | 0 | 0 | 0 | 112.2 | S153 | S151-S153 VanDerWaalsContact C-N 3.34Å; S151-S153 PolarHBondContact O-N 3.46Å |
| 152 | S | 41.5 | Very low | 55.1 | Low | 111 Ų | 111 | 124 Ų | 124 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | | | trans | -64.6 | 97.2 | 162.2 | 46.7 | 0 | 0 | 0 | 0 | 109.1 | S150 A154 | S150-S152 VanDerWaalsContact C-N 3.31Å; S150-S152 PolarHBondContact O-N 3.19Å; S152-A154 PolarHBondContact O-N 3.13Å; S152-A154 VanDerWaalsContact O-N 3.17Å |
| 153 | S | 43 | Very low | 57 | Low | 96 Ų | 96 | 123.7 Ų | 123.7 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | | | trans | -46.8 | 125.6 | 168.6 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | S151 T155 | S151-S153 VanDerWaalsContact C-N 3.34Å; S151-S153 PolarHBondContact O-N 3.46Å; S153-T155 PolarHBondContact O-N 3.21Å |
| 154 | A | 45.6 | Very low | 58.7 | Low | 93 Ų | 93 | 119.2 Ų | 119.2 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | | | trans | -70.7 | 73.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | S152 I156 | S152-A154 PolarHBondContact O-N 3.13Å; S152-A154 VanDerWaalsContact O-N 3.17Å; A154-I156 VanDerWaalsContact C-N 3.27Å; A154-I156 PolarHBondContact O-N 3.24Å |
| 155 | T | 54.9 | Low | 60.3 | Low | 119 Ų | 119 | 114.5 Ų | 114.5 | 73% | 0.73 | 69% | 0.694 | S | S | * | * | | | trans | -68.1 | 90.4 | 179.1 | 55.5 | 0 | 0 | 0 | 0 | 108.3 | S153 S157 | S153-T155 PolarHBondContact O-N 3.21Å; T155-S157 PolarHBondContact O-N 3.41Å |
| 156 | I | 56.1 | Low | 62 | Low | 131 Ų | 131 | 118 Ų | 118 | 67% | 0.672 | 69% | 0.69 | S | S | * | * | | | trans | -37 | 115.3 | 170.8 | -75.7 | 172.4 | 0 | 0 | 0 | 108.7 | A154 K158 | A154-I156 VanDerWaalsContact C-N 3.27Å; A154-I156 PolarHBondContact O-N 3.24Å; I156-K158 HydrophobicContact CG2-CB 4.11Å; I156-K158 HydrophobicContact CG2-CD 3.71Å; I156-K158 HydrophobicContact CG2-CG 3.59Å; I156-K158 PolarHBondContact O-N 3.3Å |
| 157 | S | 59.5 | Low | 63.2 | Low | 111 Ų | 111 | 118.5 Ų | 118.5 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | | | trans | -74.8 | 47.8 | -179.7 | 45.8 | 0 | 0 | 0 | 0 | 111.6 | T155 Q159 | T155-S157 PolarHBondContact O-N 3.41Å; S157-Q159 PolarHBondContact O-N 3.38Å |
| 158 | K | 65.4 | Low | 63.2 | Low | 162 Ų | 162 | 119 Ų | 119 | 70% | 0.704 | 67% | 0.667 | S | S | * | * | | | trans | -54.6 | 108.2 | 167.5 | -95.5 | 162 | -176 | 174.8 | 0 | 107.5 | I156 I160 | I156-K158 HydrophobicContact CG2-CB 4.11Å; I156-K158 HydrophobicContact CG2-CD 3.71Å; I156-K158 HydrophobicContact CG2-CG 3.59Å; I156-K158 PolarHBondContact O-N 3.3Å; K158-I160 PolarHBondContact O-N 3.13Å |
| 159 | Q | 78.3 | Confident | 64.2 | Low | 153 Ų | 153 | 117.7 Ų | 117.7 | 72% | 0.715 | 66% | 0.656 | S | S | * | * | | | trans | -44.8 | 113 | -176.8 | -68.7 | -67.5 | -11 | 0 | 0 | 110.3 | S157 F161 | S157-Q159 PolarHBondContact O-N 3.38Å; Q159-F161 VanDerWaalsContact C-N 3.29Å; Q159-F161 VanDerWaalsContact O-CD2 3.28Å; Q159-F161 WeakPolarHBondContact O-CD2 3.25Å; Q159-F161 PolarHBondContact O-N 2.92Å |
| 160 | I | 84 | Confident | 64.5 | Low | 79 Ų | 79 | 116.3 Ų | 116.3 | 41% | 0.405 | 64% | 0.635 | S | S | . | * | | | trans | -80.1 | 86.6 | -177.5 | -52.8 | -179.7 | 0 | 0 | 0 | 107.7 | K158 M164 K165 | K158-I160 PolarHBondContact O-N 3.13Å; I160-M164 HydrophobicContact CG2-CB 4.09Å; I160-M164 HydrophobicContact CG2-CG 4.47Å; I160-K165 HydrophobicContact CG2-CG 3.71Å; I160-K165 WeakPolarHBondContact O-CE 3.49Å |
| 161 | F | 85.2 | Confident | 65.4 | Low | 119 Ų | 119 | 115.1 Ų | 115.1 | 52% | 0.522 | 63% | 0.627 | S | S | . | * | | | trans | -48.2 | 145 | 174.7 | -60.9 | -76.4 | 0 | 0 | 0 | 111.1 | Q159 W163 M164 | Q159-F161 VanDerWaalsContact C-N 3.29Å; Q159-F161 VanDerWaalsContact O-CD2 3.28Å; Q159-F161 WeakPolarHBondContact O-CD2 3.25Å; Q159-F161 PolarHBondContact O-N 2.92Å; F161-W163 VanDerWaalsContact C-N 3.28Å; F161-W163 HydrophobicContact CB-CG 4.5Å; F161-W163 PolarHBondContact O-N 2.82Å; F161-W163 VanDerWaalsContact O-N 3.11Å; F161-M164 WeakPolarHBondContact O-CB 3.34Å; F161-M164 PolarHBondContact O-N 3.34Å |
| 162 | P | 86.8 | Confident | 65.5 | Low | 107 Ų | 107 | 118 Ų | 118 | 70% | 0.695 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -50.6 | -42.8 | -172.6 | -30.7 | 36.1 | 0 | 0 | 0 | 114.6 | M164 K165 | P162-M164 PolarHBondContact O-N 3.3Å; P162-M164 VanDerWaalsContact O-N 3.14Å; P162-K165 PolarHBondContact O-N 2.73Å |
| 163 | W | 86 | Confident | 66.1 | Low | 192 Ų | 192 | 118.3 Ų | 118.3 | 73% | 0.727 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.9 | -22 | 178.2 | 68.1 | -99.1 | 0 | 0 | 0 | 114.4 | F161 | F161-W163 VanDerWaalsContact C-N 3.28Å; F161-W163 HydrophobicContact CB-CG 4.5Å; F161-W163 PolarHBondContact O-N 2.82Å; F161-W163 VanDerWaalsContact O-N 3.11Å |
| 164 | M | 87.5 | Confident | 66.3 | Low | 45 Ų | 45 | 122.6 Ų | 122.6 | 22% | 0.222 | 62% | 0.619 | C | S | . | * | H | α-helix | trans | -90.7 | -13.4 | -177.7 | -160.9 | -174.3 | -68.8 | 0 | 0 | 112.9 | I160 F161 P162 R168 | I160-M164 HydrophobicContact CG2-CB 4.09Å; I160-M164 HydrophobicContact CG2-CG 4.47Å; F161-M164 WeakPolarHBondContact O-CB 3.34Å; F161-M164 PolarHBondContact O-N 3.34Å; P162-M164 PolarHBondContact O-N 3.3Å; P162-M164 VanDerWaalsContact O-N 3.14Å; M164-R168 WeakPolarHBondContact O-CG 3.48Å; M164-R168 PolarHBondContact O-N 3.49Å; M164-R168 PolarHBondContact SD-NE 3.36Å; M164-R168 PolarHBondContact SD-NH2 2.73Å |
| 165 | K | 79.1 | Confident | 66.2 | Low | 111 Ų | 111 | 125.5 Ų | 125.5 | 48% | 0.483 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67.7 | -48.8 | -176.2 | -65.6 | -175.2 | 178.3 | -176.7 | 0 | 112 | I160 P162 S167 R168 Q169 | I160-K165 HydrophobicContact CG2-CG 3.71Å; I160-K165 WeakPolarHBondContact O-CE 3.49Å; P162-K165 PolarHBondContact O-N 2.73Å; K165-S167 VanDerWaalsContact C-N 3.3Å; K165-S167 PolarHBondContact O-N 2.77Å; K165-R168 PolarHBondContact O-N 2.95Å; K165-Q169 PolarHBondContact O-N 3.06Å |
| 166 | E | 70.3 | Confident | 65.6 | Low | 148 Ų | 148 | 124.8 Ų | 124.8 | 69% | 0.692 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -51.9 | -44.6 | 179.6 | -167.3 | 62.4 | -148.4 | 0 | 0 | 112.8 | R168 | E166-R168 PolarHBondContact O-N 3.15Å |
| 167 | S | 66.1 | Low | 65.1 | Low | 88 Ų | 88 | 124.4 Ų | 124.4 | 62% | 0.615 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.3 | -30.7 | 179.3 | -169.8 | 0 | 0 | 0 | 0 | 113 | K165 | K165-S167 VanDerWaalsContact C-N 3.3Å; K165-S167 PolarHBondContact O-N 2.77Å |
| 168 | R | 63.3 | Low | 64.4 | Low | 136 Ų | 136 | 123.8 Ų | 123.8 | 51% | 0.513 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -82.3 | -38.4 | -173.8 | -75.3 | 179.8 | 178.3 | -83.7 | -0.9 | 113.9 | M164 K165 E166 N170 S171 | M164-R168 WeakPolarHBondContact O-CG 3.48Å; M164-R168 PolarHBondContact O-N 3.49Å; M164-R168 PolarHBondContact SD-NE 3.36Å; M164-R168 PolarHBondContact SD-NH2 2.73Å; K165-R168 PolarHBondContact O-N 2.95Å; E166-R168 PolarHBondContact O-N 3.15Å; R168-N170 PolarHBondContact O-N 3.35Å; R168-S171 PolarHBondContact O-N 3.34Å; R168-S171 VanDerWaalsContact O-N 3.08Å |
| 169 | Q | 58.7 | Low | 63 | Low | 142 Ų | 142 | 122.6 Ų | 122.6 | 66% | 0.664 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -55.5 | -37.7 | 171.3 | -80.5 | 162.6 | -98 | 0 | 0 | 110.7 | K165 S171 | K165-Q169 PolarHBondContact O-N 3.06Å; Q169-S171 PolarHBondContact O-N 3.19Å |
| 170 | N | 53.3 | Low | 61.1 | Low | 65 Ų | 65 | 120.6 Ų | 120.6 | 35% | 0.348 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -73.6 | -0 | -179.4 | -147.7 | -16.6 | 0 | 0 | 0 | 114.8 | R168 K195 | R168-N170 PolarHBondContact O-N 3.35Å; N170-K195 PolarHBondContact O-NZ 3.49Å; N170-K195 WeakPolarHBondContact OD1-CD 3.42Å; N170-K195 WeakPolarHBondContact OD1-CE 3.35Å; N170-K195 VanDerWaalsContact OD1-CG 3.23Å; N170-K195 WeakPolarHBondContact OD1-CG 3.27Å; N170-K195 PolarHBondContact OD1-NZ 2.88Å |
| 171 | S | 57.9 | Low | 59 | Low | 82 Ų | 82 | 119.8 Ų | 119.8 | 57% | 0.573 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -106 | -42.3 | 178 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | R168 Q169 Q173 K174 | R168-S171 PolarHBondContact O-N 3.34Å; R168-S171 VanDerWaalsContact O-N 3.08Å; Q169-S171 PolarHBondContact O-N 3.19Å; S171-Q173 PolarHBondContact O-N 2.79Å; S171-Q173 VanDerWaalsContact O-N 3.09Å; S171-K174 PolarHBondContact O-N 2.91Å |
| 172 | K | 52.7 | Low | 56.9 | Low | 187 Ų | 187 | 123.7 Ų | 123.7 | 81% | 0.813 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -65 | -21.2 | -170.2 | -152.9 | 174.2 | -175.4 | -176.2 | 0 | 114.3 | | |
| 173 | Q | 54 | Low | 54.8 | Low | 119 Ų | 119 | 124.5 Ų | 124.5 | 56% | 0.556 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -79.9 | -11.9 | 175.6 | -73 | 177 | -44.3 | 0 | 0 | 115 | S171 N175 A193 | S171-Q173 PolarHBondContact O-N 2.79Å; S171-Q173 VanDerWaalsContact O-N 3.09Å; Q173-N175 PolarHBondContact O-N 3.11Å; Q173-A193 VanDerWaalsContact NE2-CB 3.34Å; Q173-A193 VanDerWaalsContact OE1-CB 3.23Å |
| 174 | K | 47.9 | Very low | 52.5 | Low | 186 Ų | 186 | 120.9 Ų | 120.9 | 81% | 0.809 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -79.4 | -4.3 | 178.7 | -171.5 | 160 | -179.3 | 179.2 | 0 | 113.2 | S171 | S171-K174 PolarHBondContact O-N 2.91Š|
| 175 | N | 42.3 | Very low | 50.5 | Low | 153 Ų | 153 | 128.1 Ų | 128.1 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -106 | 18.9 | -170.1 | -139 | 107.3 | 0 | 0 | 0 | 114.8 | Q173 | Q173-N175 PolarHBondContact O-N 3.11Š|
| 176 | S | 43.9 | Very low | 48.8 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -134.7 | 35.3 | -175.9 | 65.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 177 | C | 44.2 | Very low | 48 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | | | trans | -153.1 | 87.5 | 174.5 | -178.3 | 0 | 0 | 0 | 0 | 109 | | |
| 178 | A | 44.9 | Very low | 47 | Very low | 99 Ų | 99 | 131 Ų | 131 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | trans | -162.1 | 26.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 179 | T | 37.2 | Very low | 46.7 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -157.4 | 125 | 174 | 19.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 180 | A | 38.2 | Very low | 46.6 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | | | trans | 57.2 | 158.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 181 | G | 39.6 | Very low | 46.3 | Very low | 63 Ų | 63 | 128.8 Ų | 128.8 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | | | cis | 141.1 | 116.1 | -3.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 182 | E | 41.6 | Very low | 46.2 | Very low | 201 Ų | 201 | 132 Ų | 132 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | | | trans | 68.9 | 167.9 | 168 | -49.7 | -169.3 | 133.1 | 0 | 0 | 117.7 | | |
| 183 | S | 43.1 | Very low | 46.3 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | trans | -44.7 | 133.4 | -162.9 | -169.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 184 | C | 37.1 | Very low | 46.5 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | | | trans | -155.4 | 121.1 | 152.8 | -172.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 185 | E | 46.2 | Very low | 47.4 | Very low | 197 Ų | 197 | 121.5 Ų | 121.5 | 92% | 0.921 | 76% | 0.76 | S | S | * | * | | | trans | -107.7 | 101.8 | 168.6 | -175.4 | 174.3 | 124.1 | 0 | 0 | 108.7 | | |
| 186 | D | 42.2 | Very low | 49.2 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | | | trans | -140.1 | 150.1 | 175.1 | 175.3 | -112.2 | 0 | 0 | 0 | 112.4 | S188 | D186-S188 PolarHBondContact O-N 2.95Å; D186-S188 PolarHBondContact OD1-N 3.32Å; D186-S188 PolarHBondContact OD1-OG 3.45Å |
| 187 | K | 52.8 | Low | 51.3 | Low | 201 Ų | 201 | 126.3 Ų | 126.3 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | | | trans | -97 | 62 | -176.4 | -66.5 | -160.8 | 177.1 | -175.7 | 0 | 113.4 | | |
| 188 | S | 46.4 | Very low | 53.6 | Low | 93 Ų | 93 | 131.9 Ų | 131.9 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | | | trans | -76.5 | 129.8 | 167.9 | -75.2 | 0 | 0 | 0 | 0 | 112.2 | D186 | D186-S188 PolarHBondContact O-N 2.95Å; D186-S188 PolarHBondContact OD1-N 3.32Å; D186-S188 PolarHBondContact OD1-OG 3.45Å |
| 189 | P | 55.4 | Low | 55.9 | Low | 116 Ų | 116 | 132.8 Ų | 132.8 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | trans | -63.4 | 144 | 176.9 | -22.5 | 33.5 | 0 | 0 | 0 | 113 | G191 | P189-G191 PolarHBondContact O-N 2.99Š|
| 190 | P | 56.9 | Low | 58.7 | Low | 131 Ų | 131 | 130.4 Ų | 130.4 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | | | trans | -67.6 | 104 | -179.5 | 27.1 | -34.2 | 0 | 0 | 0 | 111.4 | | |
| 191 | G | 48.5 | Very low | 61.6 | Low | 49 Ų | 49 | 128.2 Ų | 128.2 | 51% | 0.505 | 73% | 0.726 | S | S | . | * | | | trans | -57.7 | 151.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P189 A193 | P189-G191 PolarHBondContact O-N 2.99Å; G191-A193 PolarHBondContact O-N 3.2Å |
| 192 | P | 55.2 | Low | 64.4 | Low | 149 Ų | 149 | 129 Ų | 129 | 97% | 0.968 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 15.2 | -161.9 | 29.5 | -38 | 0 | 0 | 0 | 116.2 | | |
| 193 | A | 54.9 | Low | 67.1 | Low | 46 Ų | 46 | 124 Ų | 124 | 38% | 0.38 | 71% | 0.705 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113 | 5.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q173 G191 K195 | Q173-A193 VanDerWaalsContact NE2-CB 3.34Å; Q173-A193 VanDerWaalsContact OE1-CB 3.23Å; G191-A193 PolarHBondContact O-N 3.2Å; A193-K195 PolarHBondContact O-N 3.28Å; A193-K195 VanDerWaalsContact O-N 3.08Å |
| 194 | S | 58.5 | Low | 69.7 | Low | 107 Ų | 107 | 121.3 Ų | 121.3 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | | | trans | -64.5 | 111.5 | 173.1 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | R196 | S194-R196 PolarHBondContact O-N 2.86Å; S194-R196 VanDerWaalsContact O-N 3.08Å |
| 195 | K | 67 | Low | 72.6 | Confident | 119 Ų | 119 | 117.3 Ų | 117.3 | 52% | 0.517 | 66% | 0.661 | S | S | . | * | | | trans | -57.3 | 116.2 | 176.1 | -51.1 | -179.3 | -152 | -122.2 | 0 | 107.9 | N170 A193 V197 | N170-K195 PolarHBondContact O-NZ 3.49Å; N170-K195 WeakPolarHBondContact OD1-CD 3.42Å; N170-K195 WeakPolarHBondContact OD1-CE 3.35Å; N170-K195 VanDerWaalsContact OD1-CG 3.23Å; N170-K195 WeakPolarHBondContact OD1-CG 3.27Å; N170-K195 PolarHBondContact OD1-NZ 2.88Å; A193-K195 PolarHBondContact O-N 3.28Å; A193-K195 VanDerWaalsContact O-N 3.08Å; K195-V197 PolarHBondContact O-N 3.41Å |
| 196 | R | 78.8 | Confident | 75.1 | Confident | 234 Ų | 234 | 111.3 Ų | 111.3 | 88% | 0.883 | 63% | 0.634 | S | S | * | * | | | trans | -58.4 | 103.6 | -178.5 | -165.5 | -177.9 | -56.8 | -158.3 | 2.9 | 110.1 | S194 R198 | S194-R196 PolarHBondContact O-N 2.86Å; S194-R196 VanDerWaalsContact O-N 3.08Å; R196-R198 PolarHBondContact O-N 3.02Å |
| 197 | V | 88.8 | Confident | 77.8 | Confident | 124 Ų | 124 | 109.9 Ų | 109.9 | 75% | 0.752 | 63% | 0.63 | S | S | * | * | | | trans | -58.5 | 136.3 | -176.6 | 179 | 0 | 0 | 0 | 0 | 109 | K195 T199 | K195-V197 PolarHBondContact O-N 3.41Å; V197-T199 PolarHBondContact O-N 3.33Å |
| 198 | R | 91.8 | Very high | 80 | Confident | 239 Ų | 239 | 103.2 Ų | 103.2 | 90% | 0.902 | 60% | 0.602 | S | S | * | * | | | trans | -83 | 101.7 | 178.3 | -68.9 | -175.1 | 177.5 | -137.3 | 1.5 | 109.3 | R196 A200 | R196-R198 PolarHBondContact O-N 3.02Å; R198-A200 PolarHBondContact O-N 3.29Å |
| 199 | T | 93.4 | Very high | 82.5 | Confident | 119 Ų | 119 | 98.8 Ų | 98.8 | 73% | 0.73 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 125 | 165.6 | -39.3 | 0 | 0 | 0 | 0 | 109.2 | V197 | V197-T199 PolarHBondContact O-N 3.33Š|
| 200 | A | 96.2 | Very high | 84.5 | Confident | 86 Ų | 86 | 96.4 Ų | 96.4 | 71% | 0.711 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -79.5 | 153.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | R198 | R198-A200 PolarHBondContact O-N 3.29Š|
| 201 | Y | 98.3 | Very high | 86.5 | Confident | 65 Ų | 65 | 95.5 Ų | 95.5 | 26% | 0.255 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -85.7 | 146.9 | 168.5 | -57.8 | -59.4 | 0 | 0 | 0 | 109.6 | L206 L233 Q237 W241 | Y201-L206 HydrophobicContact CD2-CD2 4.23Å; Y201-L233 HydrophobicContact CD1-CD1 3.8Å; Y201-L233 HydrophobicContact CD1-CD2 3.82Å; Y201-L233 HydrophobicContact CD1-CG 4.49Å; Y201-L233 HydrophobicContact CE1-CD1 3.75Å; Y201-L233 HydrophobicContact CE1-CD2 3.73Å; Y201-L233 HydrophobicContact CE1-CG 4.4Å; Y201-Q237 HydrophobicContact CE1-CB 4.34Å; Y201-Q237 HydrophobicContact CE1-CG 4.44Å; Y201-Q237 WeakPolarHBondContact OH-CB 3.44Å; Y201-W241 AromaticContact CD2-CD1 3.95Å; Y201-W241 AromaticContact CE2-CD1 3.76Å |
| 202 | T | 98.6 | Very high | 88.9 | Confident | 78 Ų | 78 | 93.8 Ų | 93.8 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 161.5 | 176.4 | 72.8 | 0 | 0 | 0 | 0 | 111.1 | A204 Q205 L206 | T202-A204 VanDerWaalsContact C-N 3.3Å; T202-A204 PolarHBondContact O-N 3.31Å; T202-Q205 PolarHBondContact O-N 3.37Å; T202-Q205 WeakPolarHBondContact OG1-CG 3.21Å; T202-Q205 PolarHBondContact OG1-N 3.46Å; T202-L206 WeakPolarHBondContact O-CG 3.39Å; T202-L206 PolarHBondContact O-N 2.99Å |
| 203 | S | 98.4 | Very high | 91 | Very high | 96 Ų | 96 | 86.7 Ų | 86.7 | 67% | 0.671 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -57.1 | -44.6 | 176.5 | -167.5 | 0 | 0 | 0 | 0 | 111.7 | Q205 L206 V207 | S203-Q205 PolarHBondContact O-N 3.08Å; S203-L206 PolarHBondContact O-N 3.06Å; S203-L206 VanDerWaalsContact O-N 3.13Å; S203-V207 WeakPolarHBondContact O-CG2 3.4Å; S203-V207 PolarHBondContact O-N 3.09Å |
| 204 | A | 98.3 | Very high | 93 | Very high | 68 Ų | 68 | 89.8 Ų | 89.8 | 56% | 0.562 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61 | -43.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T202 L206 V207 E208 | T202-A204 VanDerWaalsContact C-N 3.3Å; T202-A204 PolarHBondContact O-N 3.31Å; A204-L206 VanDerWaalsContact C-N 3.3Å; A204-L206 PolarHBondContact O-N 3.06Å; A204-V207 PolarHBondContact O-N 2.76Å; A204-E208 PolarHBondContact O-N 3.47Å; A204-E208 VanDerWaalsContact O-N 3.13Å |
| 205 | Q | 98.6 | Very high | 94.9 | Very high | 31 Ų | 31 | 92.5 Ų | 92.5 | 15% | 0.145 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 173.8 | -74.8 | 172.9 | -23.6 | 0 | 0 | 111.6 | T202 S203 L209 L231 | T202-Q205 PolarHBondContact O-N 3.37Å; T202-Q205 WeakPolarHBondContact OG1-CG 3.21Å; T202-Q205 PolarHBondContact OG1-N 3.46Å; S203-Q205 PolarHBondContact O-N 3.08Å; Q205-L209 VanDerWaalsContact O-CB 3.31Å; Q205-L209 WeakPolarHBondContact O-CB 3Å; Q205-L209 VanDerWaalsContact O-CD1 3.31Å; Q205-L209 WeakPolarHBondContact O-CD1 3.09Å; Q205-L209 WeakPolarHBondContact O-CG 3.1Å; Q205-L209 PolarHBondContact O-N 3.08Å; Q205-L209 VanDerWaalsContact O-N 3.08Å; Q205-L231 HydrophobicContact CG-CB 4.35Å; Q205-L231 PolarHBondContact NE2-O 3.5Å |
| 206 | L | 98.5 | Very high | 96.4 | Very high | 71 Ų | 71 | 90.1 Ų | 90.1 | 37% | 0.372 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 178 | -67.9 | 174.9 | 0 | 0 | 0 | 112.3 | Y201 T202 S203 A204 L209 E210 | Y201-L206 HydrophobicContact CD2-CD2 4.23Å; T202-L206 WeakPolarHBondContact O-CG 3.39Å; T202-L206 PolarHBondContact O-N 2.99Å; S203-L206 PolarHBondContact O-N 3.06Å; S203-L206 VanDerWaalsContact O-N 3.13Å; A204-L206 VanDerWaalsContact C-N 3.3Å; A204-L206 PolarHBondContact O-N 3.06Å; L206-L209 PolarHBondContact O-N 3.49Å; L206-E210 WeakPolarHBondContact O-CB 3.44Å; L206-E210 WeakPolarHBondContact O-CG 3.45Å; L206-E210 PolarHBondContact O-N 2.94Å |
| 207 | V | 98.6 | Very high | 97.3 | Very high | 86 Ų | 86 | 82.6 Ų | 82.6 | 52% | 0.521 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.3 | -49.4 | 178 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | S203 A204 L209 E210 K211 | S203-V207 WeakPolarHBondContact O-CG2 3.4Å; S203-V207 PolarHBondContact O-N 3.09Å; A204-V207 PolarHBondContact O-N 2.76Å; V207-L209 PolarHBondContact O-N 3.44Å; V207-E210 PolarHBondContact O-N 3.08Å; V207-K211 VanDerWaalsContact O-CB 3.3Å; V207-K211 WeakPolarHBondContact O-CB 3.49Å; V207-K211 PolarHBondContact O-N 2.83Å |
| 208 | E | 98.6 | Very high | 97.8 | Very high | 60 Ų | 60 | 84.1 Ų | 84.1 | 28% | 0.28 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.4 | -35.9 | 178.7 | -72.2 | -65.1 | 123.7 | 0 | 0 | 112.4 | A204 K211 E212 L231 | A204-E208 PolarHBondContact O-N 3.47Å; A204-E208 VanDerWaalsContact O-N 3.13Å; E208-K211 PolarHBondContact O-N 2.69Å; E208-K211 WeakPolarHBondContact OE1-CD 3.3Å; E208-K211 IonicContact OE1-NZ 2.71Å; E208-K211 PolarHBondContact OE1-NZ 2.98Å; E208-K211 WeakPolarHBondContact OE2-CD 3.45Å; E208-K211 IonicContact OE2-NZ 2.68Å; E208-K211 PolarHBondContact OE2-NZ 3.39Å; E208-E212 WeakPolarHBondContact O-CB 3.5Å; E208-E212 PolarHBondContact O-N 3.23Å; E208-L231 HydrophobicContact CB-CD1 4.36Å; E208-L231 HydrophobicContact CB-CD2 3.68Å; E208-L231 HydrophobicContact CG-CD2 4.14Å |
| 209 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 172.8 | -73.1 | 167.9 | 0 | 0 | 0 | 112.8 | Q205 L206 V207 F213 L231 L233 I238 W241 F242 | Q205-L209 VanDerWaalsContact O-CB 3.31Å; Q205-L209 WeakPolarHBondContact O-CB 3Å; Q205-L209 VanDerWaalsContact O-CD1 3.31Å; Q205-L209 WeakPolarHBondContact O-CD1 3.09Å; Q205-L209 WeakPolarHBondContact O-CG 3.1Å; Q205-L209 PolarHBondContact O-N 3.08Å; Q205-L209 VanDerWaalsContact O-N 3.08Å; L206-L209 PolarHBondContact O-N 3.49Å; V207-L209 PolarHBondContact O-N 3.44Å; L209-F213 WeakPolarHBondContact O-CB 3.37Å; L209-F213 PolarHBondContact O-N 2.84Å; L209-L231 HydrophobicContact CD1-CD1 4.37Å; L209-L231 HydrophobicContact CD2-CD1 3.79Å; L209-L231 HydrophobicContact CG-CD1 3.66Å; L209-L233 HydrophobicContact CD1-CD1 4.2Å; L209-I238 HydrophobicContact CD2-CD1 3.84Å; L209-W241 VanDerWaalsContact C-CH2 3.46Å; L209-W241 HydrophobicContact CB-CD2 3.97Å; L209-W241 HydrophobicContact CB-CE3 4Å; L209-W241 HydrophobicContact CB-CH2 3.69Å; L209-W241 HydrophobicContact CB-CZ2 3.63Å; L209-W241 HydrophobicContact CB-CZ3 3.86Å; L209-W241 HydrophobicContact CD1-CD2 3.95Å; L209-W241 HydrophobicContact CD1-CG 3.89Å; L209-W241 HydrophobicContact CD2-CD2 4.37Å; L209-W241 HydrophobicContact CD2-CE3 4.27Å; L209-W241 HydrophobicContact CG-CD2 4.33Å; L209-W241 WeakPolarHBondContact O-CH2 3.43Å; L209-W241 WeakPolarHBondContact O-CZ3 3.21Å; L209-F242 HydrophobicContact CD2-CE2 3.95Å |
| 210 | E | 98.6 | Very high | 98.3 | Very high | 67 Ų | 67 | 71.4 Ų | 71.4 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.6 | -47 | 173.5 | -64.5 | -105.9 | 124.6 | 0 | 0 | 110.5 | L206 V207 E212 F213 H214 W241 R245 | L206-E210 WeakPolarHBondContact O-CB 3.44Å; L206-E210 WeakPolarHBondContact O-CG 3.45Å; L206-E210 PolarHBondContact O-N 2.94Å; V207-E210 PolarHBondContact O-N 3.08Å; E210-E212 PolarHBondContact O-N 3.39Å; E210-F213 CarbonylContact O-C 3.37Å; E210-F213 WeakPolarHBondContact O-CA 3.36Å; E210-F213 WeakPolarHBondContact O-CB 3.12Å; E210-F213 PolarHBondContact O-N 2.99Å; E210-F213 VanDerWaalsContact O-N 3.08Å; E210-H214 PolarHBondContact O-CD2 3.35Å; E210-H214 PolarHBondContact O-N 2.85Å; E210-W241 HydrophobicContact CG-CH2 4.25Å; E210-W241 HydrophobicContact CG-CZ2 4.21Å; E210-R245 VanDerWaalsContact CD-NH2 3.3Å; E210-R245 IonicContact OE1-CZ 2.77Å; E210-R245 IonicContact OE1-NE 3.73Å; E210-R245 PolarHBondContact OE1-NE 2.91Å; E210-R245 IonicContact OE1-NH2 2.73Å; E210-R245 PolarHBondContact OE1-NH2 3.45Å; E210-R245 IonicContact OE2-NH2 3.76Å; E210-R245 PolarHBondContact OE2-NH2 3.25Å |
| 211 | K | 98.6 | Very high | 98.4 | Very high | 112 Ų | 112 | 74 Ų | 74 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -54.3 | -51.6 | 176.2 | 172.4 | -170 | 172.9 | -165.5 | 0 | 112.3 | V207 E208 F213 H214 F215 | V207-K211 VanDerWaalsContact O-CB 3.3Å; V207-K211 WeakPolarHBondContact O-CB 3.49Å; V207-K211 PolarHBondContact O-N 2.83Å; E208-K211 PolarHBondContact O-N 2.69Å; E208-K211 WeakPolarHBondContact OE1-CD 3.3Å; E208-K211 IonicContact OE1-NZ 2.71Å; E208-K211 PolarHBondContact OE1-NZ 2.98Å; E208-K211 WeakPolarHBondContact OE2-CD 3.45Å; E208-K211 IonicContact OE2-NZ 2.68Å; E208-K211 PolarHBondContact OE2-NZ 3.39Å; K211-F213 VanDerWaalsContact C-N 3.33Å; K211-F213 PolarHBondContact O-N 3.23Å; K211-H214 WeakPolarHBondContact O-CB 3.47Å; K211-H214 PolarHBondContact O-N 2.94Å; K211-F215 PolarHBondContact O-N 3.18Å |
| 212 | E | 98.6 | Very high | 98.4 | Very high | 12 Ų | 12 | 74.9 Ų | 74.9 | 6% | 0.056 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 173.7 | -78 | -67.2 | 117.9 | 0 | 0 | 112.3 | E208 E210 H214 F215 N216 R223 M227 F242 | E208-E212 WeakPolarHBondContact O-CB 3.5Å; E208-E212 PolarHBondContact O-N 3.23Å; E210-E212 PolarHBondContact O-N 3.39Å; E212-H214 PolarHBondContact O-N 3.49Å; E212-F215 PolarHBondContact O-N 3.03Å; E212-N216 PolarHBondContact O-N 2.86Å; E212-N216 VanDerWaalsContact O-O 3.08Å; E212-R223 VanDerWaalsContact CD-NH2 3.28Å; E212-R223 IonicContact OE1-CZ 3.65Å; E212-R223 IonicContact OE1-NE 2.94Å; E212-R223 IonicContact OE1-NH2 2.73Å; E212-R223 PolarHBondContact OE1-NH2 3.32Å; E212-R223 IonicContact OE2-CZ 3.45Å; E212-R223 IonicContact OE2-NE 3.18Å; E212-R223 PolarHBondContact OE2-NE 2.99Å; E212-R223 IonicContact OE2-NH2 3.3Å; E212-R223 PolarHBondContact OE2-NH2 2.93Å; E212-M227 HydrophobicContact CG-CE 3.65Å; E212-M227 HydrophobicContact CG-CG 4.04Å; E212-M227 HydrophobicContact CG-SD 3.62Å; E212-F242 HydrophobicContact CB-CZ 4.05Å |
| 213 | F | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 74.8 Ų | 74.8 | 0% | 0.004 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.4 | -22.6 | 173.4 | -177.7 | -99.2 | 0 | 0 | 0 | 113 | L209 E210 K211 R217 W241 F242 R245 R246 Y249 | L209-F213 WeakPolarHBondContact O-CB 3.37Å; L209-F213 PolarHBondContact O-N 2.84Å; E210-F213 CarbonylContact O-C 3.37Å; E210-F213 WeakPolarHBondContact O-CA 3.36Å; E210-F213 WeakPolarHBondContact O-CB 3.12Å; E210-F213 PolarHBondContact O-N 2.99Å; E210-F213 VanDerWaalsContact O-N 3.08Å; K211-F213 VanDerWaalsContact C-N 3.33Å; K211-F213 PolarHBondContact O-N 3.23Å; F213-R217 HydrophobicContact CE2-CB 3.97Å; F213-R217 HydrophobicContact CZ-CB 4.44Å; F213-R217 WeakPolarHBondContact O-CD 3.5Å; F213-R217 PolarHBondContact O-NE 3.48Å; F213-W241 HydrophobicContact CB-CH2 4.21Å; F213-W241 HydrophobicContact CB-CZ3 3.92Å; F213-W241 HydrophobicContact CG-CZ3 4.39Å; F213-F242 HydrophobicContact CB-CE1 4Å; F213-F242 HydrophobicContact CB-CZ 4.12Å; F213-F242 AromaticContact CD2-CD1 3.97Å; F213-F242 HydrophobicContact CD2-CD1 3.97Å; F213-F242 AromaticContact CD2-CE1 3.85Å; F213-F242 HydrophobicContact CD2-CE1 3.85Å; F213-F242 HydrophobicContact CG-CE1 4.45Å; F213-R245 HydrophobicContact CB-CG 4.38Å; F213-R245 HydrophobicContact CD1-CG 3.54Å; F213-R245 HydrophobicContact CD2-CB 4.3Å; F213-R245 HydrophobicContact CD2-CG 3.85Å; F213-R245 HydrophobicContact CE1-CG 3.72Å; F213-R245 HydrophobicContact CE2-CB 4.39Å; F213-R245 HydrophobicContact CE2-CG 4.02Å; F213-R245 HydrophobicContact CG-CB 4.49Å; F213-R245 HydrophobicContact CG-CG 3.61Å; F213-R245 HydrophobicContact CZ-CG 3.95Å; F213-R246 HydrophobicContact CE2-CG 3.75Å; F213-R246 HydrophobicContact CZ-CG 4.35Å; F213-Y249 HydrophobicContact CE1-CD2 4.12Å; F213-Y249 HydrophobicContact CE1-CG 4.22Å; F213-Y249 HydrophobicContact CZ-CD2 4.4Å; F213-Y249 HydrophobicContact CZ-CG 4.06Å |
| 214 | H | 98.3 | Very high | 98.4 | Very high | 111 Ų | 111 | 72.6 Ų | 72.6 | 51% | 0.514 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -75.5 | -43.4 | 171.7 | -88.3 | -88.7 | 0 | 0 | 0 | 110.8 | E210 K211 E212 R217 | E210-H214 PolarHBondContact O-CD2 3.35Å; E210-H214 PolarHBondContact O-N 2.85Å; K211-H214 WeakPolarHBondContact O-CB 3.47Å; K211-H214 PolarHBondContact O-N 2.94Å; E212-H214 PolarHBondContact O-N 3.49Å; H214-R217 PolarHBondContact O-NE 2.72Å; H214-R217 PolarHBondContact O-NH2 2.74Å; H214-R217 VanDerWaalsContact O-NH2 3.09Å |
| 215 | F | 98.2 | Very high | 98.4 | Very high | 164 Ų | 164 | 71.7 Ų | 71.7 | 72% | 0.719 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.2 | -52.7 | 175.7 | -179.9 | -109.5 | 0 | 0 | 0 | 113.2 | K211 E212 | K211-F215 PolarHBondContact O-N 3.18Å; E212-F215 PolarHBondContact O-N 3.03Å |
| 216 | N | 97.8 | Very high | 98.4 | Very high | 68 Ų | 68 | 74 Ų | 74 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | | | trans | -142.2 | 127.7 | 178.3 | -175.5 | -10.2 | 0 | 0 | 0 | 111.8 | E212 Y218 | E212-N216 PolarHBondContact O-N 2.86Å; E212-N216 VanDerWaalsContact O-O 3.08Å; N216-Y218 VanDerWaalsContact C-N 3.26Å; N216-Y218 PolarHBondContact ND2-O 2.65Å; N216-Y218 PolarHBondContact O-N 3.22Å; N216-Y218 PolarHBondContact OD1-N 3.01Å; N216-Y218 PolarHBondContact OD1-O 3.29Å |
| 217 | R | 98 | Very high | 98.4 | Very high | 76 Ų | 76 | 70.8 Ų | 70.8 | 29% | 0.287 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -75.9 | -13.1 | -176.2 | -43.2 | -49.6 | 164.1 | 110.8 | -12.5 | 113.3 | F213 H214 R246 | F213-R217 HydrophobicContact CE2-CB 3.97Å; F213-R217 HydrophobicContact CZ-CB 4.44Å; F213-R217 WeakPolarHBondContact O-CD 3.5Å; F213-R217 PolarHBondContact O-NE 3.48Å; H214-R217 PolarHBondContact O-NE 2.72Å; H214-R217 PolarHBondContact O-NH2 2.74Å; H214-R217 VanDerWaalsContact O-NH2 3.09Å; R217-R246 VanDerWaalsContact O-CD 3.28Å; R217-R246 WeakPolarHBondContact O-CD 3.42Å |
| 218 | Y | 98.4 | Very high | 98.4 | Very high | 156 Ų | 156 | 67 Ų | 67 | 61% | 0.612 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -140.5 | 107.8 | -173.9 | -64.2 | -109.1 | 0 | 0 | 0 | 111.4 | N216 | N216-Y218 VanDerWaalsContact C-N 3.26Å; N216-Y218 PolarHBondContact ND2-O 2.65Å; N216-Y218 PolarHBondContact O-N 3.22Å; N216-Y218 PolarHBondContact OD1-N 3.01Å; N216-Y218 PolarHBondContact OD1-O 3.29Å |
| 219 | L | 98.3 | Very high | 98.4 | Very high | 19 Ų | 19 | 69.5 Ų | 69.5 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | | | trans | -78.8 | 125.2 | 178.5 | -58.2 | -171.1 | 0 | 0 | 0 | 113.5 | R223 R224 M227 I238 F242 | L219-R223 HydrophobicContact CD2-CG 3.98Å; L219-R224 PolarHBondContact O-NH2 2.83Å; L219-M227 HydrophobicContact CD1-CG 4.48Å; L219-I238 HydrophobicContact CD1-CG2 3.78Å; L219-F242 HydrophobicContact CD1-CD2 4Å; L219-F242 HydrophobicContact CD1-CE1 4.2Å; L219-F242 HydrophobicContact CD1-CE2 3.58Å; L219-F242 HydrophobicContact CD1-CG 4.49Å; L219-F242 HydrophobicContact CD1-CZ 3.7Å; L219-F242 HydrophobicContact CD2-CE1 3.94Å; L219-F242 HydrophobicContact CD2-CZ 3.93Å; L219-F242 HydrophobicContact CG-CD1 4.01Å; L219-F242 HydrophobicContact CG-CD2 4.3Å; L219-F242 HydrophobicContact CG-CE1 3.68Å; L219-F242 HydrophobicContact CG-CE2 4Å; L219-F242 HydrophobicContact CG-CG 4.31Å; L219-F242 HydrophobicContact CG-CZ 3.69Å |
| 220 | C | 98.3 | Very high | 98.4 | Very high | 73 Ų | 73 | 75 Ų | 75 | 49% | 0.493 | 36% | 0.355 | S | S | . | . | | | trans | -63.2 | 176 | 166.5 | 63.8 | 0 | 0 | 0 | 0 | 112.2 | R224 | C220-R224 WeakPolarHBondContact O-CB 3.21Å; C220-R224 PolarHBondContact O-N 3.17Å |
| 221 | R | 98.3 | Very high | 98.4 | Very high | 141 Ų | 141 | 72.6 Ų | 72.6 | 53% | 0.532 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | -176.5 | -176.5 | 67.8 | 178.9 | 90.5 | -17 | 113.6 | E235 | R221-E235 IonicContact CZ-OE1 3.03Å; R221-E235 IonicContact CZ-OE2 3.8Å; R221-E235 IonicContact NE-OE2 3.16Å; R221-E235 IonicContact NH1-OE1 2.86Å; R221-E235 PolarHBondContact NH1-OE1 3.04Å; R221-E235 IonicContact NH1-OE2 3.06Å; R221-E235 PolarHBondContact NH1-OE2 2.9Å; R221-E235 IonicContact NH2-OE1 2.65Å; R221-E235 PolarHBondContact NH2-OE1 3.23Å; R221-E235 IonicContact NH2-OE2 2.74Å; R221-E235 PolarHBondContact NH2-OE2 2.79Å |
| 222 | P | 98.4 | Very high | 98.4 | Very high | 83 Ų | 83 | 74.4 Ų | 74.4 | 54% | 0.539 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.2 | -53.4 | 177.7 | -22.9 | 35.5 | 0 | 0 | 0 | 113.1 | R224 V225 E226 | P222-R224 PolarHBondContact O-N 3.32Å; P222-V225 WeakPolarHBondContact O-CA 3.31Å; P222-V225 WeakPolarHBondContact O-CB 3.34Å; P222-V225 PolarHBondContact O-N 3.28Å; P222-E226 VanDerWaalsContact C-OE1 3.29Å; P222-E226 PolarHBondContact O-N 2.82Å |
| 223 | R | 98.5 | Very high | 98.4 | Very high | 75 Ų | 75 | 74.5 Ų | 74.5 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.5 | -26.2 | -178.6 | -169.5 | 55.9 | 170.5 | -172.2 | -2.5 | 113.8 | E212 L219 E226 M227 | E212-R223 VanDerWaalsContact CD-NH2 3.28Å; E212-R223 IonicContact OE1-CZ 3.65Å; E212-R223 IonicContact OE1-NE 2.94Å; E212-R223 IonicContact OE1-NH2 2.73Å; E212-R223 PolarHBondContact OE1-NH2 3.32Å; E212-R223 IonicContact OE2-CZ 3.45Å; E212-R223 IonicContact OE2-NE 3.18Å; E212-R223 PolarHBondContact OE2-NE 2.99Å; E212-R223 IonicContact OE2-NH2 3.3Å; E212-R223 PolarHBondContact OE2-NH2 2.93Å; L219-R223 HydrophobicContact CD2-CG 3.98Å; R223-E226 WeakPolarHBondContact CA-OE1 3.33Å; R223-E226 WeakPolarHBondContact CD-OE2 3.49Å; R223-E226 IonicContact CZ-OE2 3.63Å; R223-E226 PolarHBondContact N-OE1 3.25Å; R223-E226 IonicContact NE-OE2 3.49Å; R223-E226 IonicContact NH1-OE2 3.83Å; R223-E226 PolarHBondContact NH1-OE2 3Å; R223-M227 WeakPolarHBondContact O-CB 3.31Å; R223-M227 PolarHBondContact O-N 3.44Å |
| 224 | R | 98.7 | Very high | 98.4 | Very high | 51 Ų | 51 | 78.1 Ų | 78.1 | 19% | 0.192 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -71.1 | -31.7 | 173.2 | -163 | -173.9 | -53.4 | 136.5 | 9.7 | 113.5 | L219 C220 P222 A228 E235 I238 | L219-R224 PolarHBondContact O-NH2 2.83Å; C220-R224 WeakPolarHBondContact O-CB 3.21Å; C220-R224 PolarHBondContact O-N 3.17Å; P222-R224 PolarHBondContact O-N 3.32Å; R224-A228 WeakPolarHBondContact O-CB 3.48Å; R224-A228 PolarHBondContact O-N 3.16Å; R224-E235 HydrophobicContact CG-CB 4.35Å; R224-E235 HydrophobicContact CG-CG 4.19Å; R224-E235 IonicContact NH1-OE2 2.72Å; R224-I238 HydrophobicContact CG-CB 4.03Å; R224-I238 HydrophobicContact CG-CG2 3.81Å |
| 225 | V | 98.7 | Very high | 98.4 | Very high | 49 Ų | 49 | 75.4 Ų | 75.4 | 30% | 0.297 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71.3 | -46.5 | 173 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | P222 M227 A228 N229 | P222-V225 WeakPolarHBondContact O-CA 3.31Å; P222-V225 WeakPolarHBondContact O-CB 3.34Å; P222-V225 PolarHBondContact O-N 3.28Å; V225-M227 VanDerWaalsContact C-N 3.31Å; V225-M227 PolarHBondContact O-N 2.98Å; V225-A228 WeakPolarHBondContact O-CB 3.38Å; V225-A228 PolarHBondContact O-N 2.94Å; V225-A228 VanDerWaalsContact O-N 3.11Å; V225-N229 WeakPolarHBondContact O-CB 2.85Å; V225-N229 VanDerWaalsContact O-CG 3.24Å; V225-N229 PolarHBondContact O-N 3.45Å; V225-N229 PolarHBondContact O-OD1 2.78Å |
| 226 | E | 98.6 | Very high | 98.4 | Very high | 78 Ų | 78 | 76 Ų | 76 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -53.1 | -50.1 | 175.2 | -64.8 | 155.7 | -126.8 | 0 | 0 | 110.7 | P222 R223 N229 L230 | P222-E226 VanDerWaalsContact C-OE1 3.29Å; P222-E226 PolarHBondContact O-N 2.82Å; R223-E226 WeakPolarHBondContact CA-OE1 3.33Å; R223-E226 WeakPolarHBondContact CD-OE2 3.49Å; R223-E226 IonicContact CZ-OE2 3.63Å; R223-E226 PolarHBondContact N-OE1 3.25Å; R223-E226 IonicContact NE-OE2 3.49Å; R223-E226 IonicContact NH1-OE2 3.83Å; R223-E226 PolarHBondContact NH1-OE2 3Å; E226-N229 PolarHBondContact O-N 3.4Å; E226-L230 WeakPolarHBondContact O-CB 3.38Å; E226-L230 WeakPolarHBondContact O-CD1 3.28Å; E226-L230 VanDerWaalsContact O-CG 3.25Å; E226-L230 WeakPolarHBondContact O-CG 3.47Å; E226-L230 PolarHBondContact O-N 2.86Å |
| 227 | M | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 75.1 Ų | 75.1 | 2% | 0.02 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -73.1 | -24.2 | 178 | -72.8 | -61.4 | 141.8 | 0 | 0 | 115.1 | E212 L219 R223 V225 L230 L231 I238 | E212-M227 HydrophobicContact CG-CE 3.65Å; E212-M227 HydrophobicContact CG-CG 4.04Å; E212-M227 HydrophobicContact CG-SD 3.62Å; L219-M227 HydrophobicContact CD1-CG 4.48Å; R223-M227 WeakPolarHBondContact O-CB 3.31Å; R223-M227 PolarHBondContact O-N 3.44Å; V225-M227 VanDerWaalsContact C-N 3.31Å; V225-M227 PolarHBondContact O-N 2.98Å; M227-L230 HydrophobicContact CE-CD1 3.64Å; M227-L230 HydrophobicContact SD-CD1 4.34Å; M227-L231 WeakPolarHBondContact O-CB 3.49Å; M227-L231 WeakPolarHBondContact O-CG 3.39Å; M227-L231 PolarHBondContact O-N 3.22Å; M227-L231 HydrophobicContact SD-CD1 4.43Å; M227-I238 HydrophobicContact CB-CD1 4.39Å |
| 228 | A | 98.6 | Very high | 98.4 | Very high | 8 Ų | 8 | 71.6 Ų | 71.6 | 7% | 0.066 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.5 | -47.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R224 V225 N232 L233 E235 I238 | R224-A228 WeakPolarHBondContact O-CB 3.48Å; R224-A228 PolarHBondContact O-N 3.16Å; V225-A228 WeakPolarHBondContact O-CB 3.38Å; V225-A228 PolarHBondContact O-N 2.94Å; V225-A228 VanDerWaalsContact O-N 3.11Å; A228-N232 WeakPolarHBondContact O-CA 3.27Å; A228-N232 PolarHBondContact O-N 3Å; A228-N232 VanDerWaalsContact O-N 3.15Å; A228-L233 CarbonylContact C-O 3.38Å; A228-L233 WeakPolarHBondContact CA-O 3.13Å; A228-L233 WeakPolarHBondContact CB-O 3.43Å; A228-L233 PolarHBondContact O-N 3.02Å; A228-L233 VanDerWaalsContact O-O 3.05Å; A228-E235 HydrophobicContact CB-CG 4.06Å; A228-I238 HydrophobicContact CB-CG1 4.28Å |
| 229 | N | 98.5 | Very high | 98.4 | Very high | 111 Ų | 111 | 70.4 Ų | 70.4 | 59% | 0.594 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.5 | -50.6 | -178.2 | -65.1 | -6.1 | 0 | 0 | 0 | 111.7 | V225 E226 L231 N232 | V225-N229 WeakPolarHBondContact O-CB 2.85Å; V225-N229 VanDerWaalsContact O-CG 3.24Å; V225-N229 PolarHBondContact O-N 3.45Å; V225-N229 PolarHBondContact O-OD1 2.78Å; E226-N229 PolarHBondContact O-N 3.4Å; N229-L231 PolarHBondContact O-N 2.83Å; N229-N232 PolarHBondContact O-N 3.43Å |
| 230 | L | 98.1 | Very high | 98.4 | Very high | 117 Ų | 117 | 72.6 Ų | 72.6 | 61% | 0.613 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.7 | -26.2 | -177.3 | -74.6 | 166.7 | 0 | 0 | 0 | 114 | E226 M227 | E226-L230 WeakPolarHBondContact O-CB 3.38Å; E226-L230 WeakPolarHBondContact O-CD1 3.28Å; E226-L230 VanDerWaalsContact O-CG 3.25Å; E226-L230 WeakPolarHBondContact O-CG 3.47Å; E226-L230 PolarHBondContact O-N 2.86Å; M227-L230 HydrophobicContact CE-CD1 3.64Å; M227-L230 HydrophobicContact SD-CD1 4.34Å |
| 231 | L | 98.2 | Very high | 98.5 | Very high | 15 Ų | 15 | 70.3 Ų | 70.3 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 1.5 | -176.6 | -55.3 | -177.2 | 0 | 0 | 0 | 113.4 | Q205 E208 L209 M227 N229 L233 I238 | Q205-L231 HydrophobicContact CG-CB 4.35Å; Q205-L231 PolarHBondContact NE2-O 3.5Å; E208-L231 HydrophobicContact CB-CD1 4.36Å; E208-L231 HydrophobicContact CB-CD2 3.68Å; E208-L231 HydrophobicContact CG-CD2 4.14Å; L209-L231 HydrophobicContact CD1-CD1 4.37Å; L209-L231 HydrophobicContact CD2-CD1 3.79Å; L209-L231 HydrophobicContact CG-CD1 3.66Å; M227-L231 WeakPolarHBondContact O-CB 3.49Å; M227-L231 WeakPolarHBondContact O-CG 3.39Å; M227-L231 PolarHBondContact O-N 3.22Å; M227-L231 HydrophobicContact SD-CD1 4.43Å; N229-L231 PolarHBondContact O-N 2.83Å; L231-L233 VanDerWaalsContact C-N 3.26Å; L231-L233 HydrophobicContact CB-CD1 4.29Å; L231-L233 HydrophobicContact CB-CG 4.18Å; L231-L233 PolarHBondContact O-N 3.08Å; L231-I238 HydrophobicContact CD1-CD1 4.35Å |
| 232 | N | 98.4 | Very high | 98.5 | Very high | 150 Ų | 150 | 64 Ų | 64 | 80% | 0.802 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 41.8 | -172.1 | -51.2 | 104.7 | 0 | 0 | 0 | 113.3 | A228 N229 | A228-N232 WeakPolarHBondContact O-CA 3.27Å; A228-N232 PolarHBondContact O-N 3Å; A228-N232 VanDerWaalsContact O-N 3.15Å; N229-N232 PolarHBondContact O-N 3.43Å |
| 233 | L | 98.1 | Very high | 98.5 | Very high | 15 Ų | 15 | 64.2 Ų | 64.2 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | | | trans | -118.5 | 146.1 | 178.9 | -65.9 | -176.9 | 0 | 0 | 0 | 110.6 | Y201 L209 A228 L231 Q237 I238 | Y201-L233 HydrophobicContact CD1-CD1 3.8Å; Y201-L233 HydrophobicContact CD1-CD2 3.82Å; Y201-L233 HydrophobicContact CD1-CG 4.49Å; Y201-L233 HydrophobicContact CE1-CD1 3.75Å; Y201-L233 HydrophobicContact CE1-CD2 3.73Å; Y201-L233 HydrophobicContact CE1-CG 4.4Å; L209-L233 HydrophobicContact CD1-CD1 4.2Å; A228-L233 CarbonylContact C-O 3.38Å; A228-L233 WeakPolarHBondContact CA-O 3.13Å; A228-L233 WeakPolarHBondContact CB-O 3.43Å; A228-L233 PolarHBondContact O-N 3.02Å; A228-L233 VanDerWaalsContact O-O 3.05Å; L231-L233 VanDerWaalsContact C-N 3.26Å; L231-L233 HydrophobicContact CB-CD1 4.29Å; L231-L233 HydrophobicContact CB-CG 4.18Å; L231-L233 PolarHBondContact O-N 3.08Å; L233-Q237 HydrophobicContact CB-CB 4.3Å; L233-I238 HydrophobicContact CB-CD1 3.93Å; L233-I238 HydrophobicContact CB-CG1 4.4Å; L233-I238 HydrophobicContact CD1-CD1 4.02Å |
| 234 | T | 98.6 | Very high | 98.5 | Very high | 77 Ų | 77 | 65.5 Ų | 65.5 | 47% | 0.472 | 32% | 0.32 | S | S | . | . | | | trans | -65.6 | 148.1 | 173 | 63.6 | 0 | 0 | 0 | 0 | 111.2 | R236 Q237 I238 | T234-R236 PolarHBondContact O-N 3.43Å; T234-Q237 WeakPolarHBondContact O-CA 3.22Å; T234-Q237 WeakPolarHBondContact O-CB 3.34Å; T234-Q237 PolarHBondContact O-N 3.08Å; T234-Q237 WeakPolarHBondContact OG1-CG 3.47Å; T234-Q237 PolarHBondContact OG1-N 2.94Å; T234-Q237 PolarHBondContact OG1-OE1 3.22Å; T234-I238 PolarHBondContact O-N 2.82Å; T234-I238 VanDerWaalsContact O-N 3.08Å |
| 235 | E | 98.6 | Very high | 98.5 | Very high | 54 Ų | 54 | 64.3 Ų | 64.3 | 25% | 0.252 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -49.8 | -31.6 | 170.6 | -79.4 | -164.8 | -119.2 | 0 | 0 | 113.3 | R221 R224 A228 I238 K239 | R221-E235 IonicContact CZ-OE1 3.03Å; R221-E235 IonicContact CZ-OE2 3.8Å; R221-E235 IonicContact NE-OE2 3.16Å; R221-E235 IonicContact NH1-OE1 2.86Å; R221-E235 PolarHBondContact NH1-OE1 3.04Å; R221-E235 IonicContact NH1-OE2 3.06Å; R221-E235 PolarHBondContact NH1-OE2 2.9Å; R221-E235 IonicContact NH2-OE1 2.65Å; R221-E235 PolarHBondContact NH2-OE1 3.23Å; R221-E235 IonicContact NH2-OE2 2.74Å; R221-E235 PolarHBondContact NH2-OE2 2.79Å; R224-E235 HydrophobicContact CG-CB 4.35Å; R224-E235 HydrophobicContact CG-CG 4.19Å; R224-E235 IonicContact NH1-OE2 2.72Å; A228-E235 HydrophobicContact CB-CG 4.06Å; E235-I238 PolarHBondContact O-N 3.33Å; E235-K239 VanDerWaalsContact O-CB 3.27Å; E235-K239 WeakPolarHBondContact O-CB 3.38Å; E235-K239 PolarHBondContact O-N 3.28Å |
| 236 | R | 98.3 | Very high | 98.5 | Very high | 175 Ų | 175 | 64.7 Ų | 64.7 | 66% | 0.66 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.8 | -40.6 | 176.5 | -172.3 | 179 | -179.6 | -78.7 | -1.8 | 111.6 | T234 I240 | T234-R236 PolarHBondContact O-N 3.43Å; R236-I240 HydrophobicContact CG-CD1 3.98Å; R236-I240 WeakPolarHBondContact O-CB 3.03Å; R236-I240 WeakPolarHBondContact O-CD1 3.47Å; R236-I240 VanDerWaalsContact O-CG1 3.22Å; R236-I240 WeakPolarHBondContact O-CG1 3.44Å; R236-I240 PolarHBondContact O-N 2.91Å |
| 237 | Q | 98.4 | Very high | 98.4 | Very high | 51 Ų | 51 | 65.9 Ų | 65.9 | 24% | 0.238 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.6 | -47.1 | 172.6 | -76.2 | 158 | -71 | 0 | 0 | 110.9 | Y201 L233 T234 K239 I240 W241 | Y201-Q237 HydrophobicContact CE1-CB 4.34Å; Y201-Q237 HydrophobicContact CE1-CG 4.44Å; Y201-Q237 WeakPolarHBondContact OH-CB 3.44Å; L233-Q237 HydrophobicContact CB-CB 4.3Å; T234-Q237 WeakPolarHBondContact O-CA 3.22Å; T234-Q237 WeakPolarHBondContact O-CB 3.34Å; T234-Q237 PolarHBondContact O-N 3.08Å; T234-Q237 WeakPolarHBondContact OG1-CG 3.47Å; T234-Q237 PolarHBondContact OG1-N 2.94Å; T234-Q237 PolarHBondContact OG1-OE1 3.22Å; Q237-K239 PolarHBondContact O-N 2.93Å; Q237-I240 PolarHBondContact O-N 3.24Å; Q237-W241 WeakPolarHBondContact O-CB 3.27Å; Q237-W241 PolarHBondContact O-N 2.71Å |
| 238 | I | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.7 | -49.7 | 175.4 | -54 | -63.4 | 0 | 0 | 0 | 110.8 | L209 L219 R224 M227 A228 L231 L233 T234 E235 I240 W241 F242 | L209-I238 HydrophobicContact CD2-CD1 3.84Å; L219-I238 HydrophobicContact CD1-CG2 3.78Å; R224-I238 HydrophobicContact CG-CB 4.03Å; R224-I238 HydrophobicContact CG-CG2 3.81Å; M227-I238 HydrophobicContact CB-CD1 4.39Å; A228-I238 HydrophobicContact CB-CG1 4.28Å; L231-I238 HydrophobicContact CD1-CD1 4.35Å; L233-I238 HydrophobicContact CB-CD1 3.93Å; L233-I238 HydrophobicContact CB-CG1 4.4Å; L233-I238 HydrophobicContact CD1-CD1 4.02Å; T234-I238 PolarHBondContact O-N 2.82Å; T234-I238 VanDerWaalsContact O-N 3.08Å; E235-I238 PolarHBondContact O-N 3.33Å; I238-I240 PolarHBondContact O-N 2.7Å; I238-W241 PolarHBondContact O-N 3.03Å; I238-F242 HydrophobicContact CG2-CD2 4.03Å; I238-F242 HydrophobicContact CG2-CE2 4.29Å; I238-F242 WeakPolarHBondContact O-CD2 3.48Å; I238-F242 PolarHBondContact O-N 3.44Å |
| 239 | K | 98.4 | Very high | 98.3 | Very high | 132 Ų | 132 | 74.9 Ų | 74.9 | 57% | 0.574 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.5 | -43.6 | 178 | -176.7 | -179.6 | 179.2 | -178.9 | 0 | 112.4 | E235 Q237 Q243 | E235-K239 VanDerWaalsContact O-CB 3.27Å; E235-K239 WeakPolarHBondContact O-CB 3.38Å; E235-K239 PolarHBondContact O-N 3.28Å; Q237-K239 PolarHBondContact O-N 2.93Å; K239-Q243 WeakPolarHBondContact O-CB 3.22Å; K239-Q243 PolarHBondContact O-N 3.2Å |
| 240 | I | 98.5 | Very high | 98.1 | Very high | 64 Ų | 64 | 75.6 Ų | 75.6 | 33% | 0.328 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.3 | -42 | 178.8 | -72 | 168.7 | 0 | 0 | 0 | 110.9 | R236 Q237 I238 Q243 N244 | R236-I240 HydrophobicContact CG-CD1 3.98Å; R236-I240 WeakPolarHBondContact O-CB 3.03Å; R236-I240 WeakPolarHBondContact O-CD1 3.47Å; R236-I240 VanDerWaalsContact O-CG1 3.22Å; R236-I240 WeakPolarHBondContact O-CG1 3.44Å; R236-I240 PolarHBondContact O-N 2.91Å; Q237-I240 PolarHBondContact O-N 3.24Å; I238-I240 PolarHBondContact O-N 2.7Å; I240-Q243 PolarHBondContact O-N 2.93Å; I240-N244 WeakPolarHBondContact O-CB 3.4Å; I240-N244 VanDerWaalsContact O-CG 3.25Å; I240-N244 PolarHBondContact O-N 3.12Å; I240-N244 PolarHBondContact O-ND2 3.26Å |
| 241 | W | 98.6 | Very high | 98 | Very high | 25 Ų | 25 | 77.7 Ų | 77.7 | 10% | 0.095 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.2 | -48 | 176.8 | -168.9 | 105.5 | 0 | 0 | 0 | 110.7 | Y201 L209 E210 F213 Q237 I238 Q243 N244 R245 | Y201-W241 AromaticContact CD2-CD1 3.95Å; Y201-W241 AromaticContact CE2-CD1 3.76Å; L209-W241 VanDerWaalsContact C-CH2 3.46Å; L209-W241 HydrophobicContact CB-CD2 3.97Å; L209-W241 HydrophobicContact CB-CE3 4Å; L209-W241 HydrophobicContact CB-CH2 3.69Å; L209-W241 HydrophobicContact CB-CZ2 3.63Å; L209-W241 HydrophobicContact CB-CZ3 3.86Å; L209-W241 HydrophobicContact CD1-CD2 3.95Å; L209-W241 HydrophobicContact CD1-CG 3.89Å; L209-W241 HydrophobicContact CD2-CD2 4.37Å; L209-W241 HydrophobicContact CD2-CE3 4.27Å; L209-W241 HydrophobicContact CG-CD2 4.33Å; L209-W241 WeakPolarHBondContact O-CH2 3.43Å; L209-W241 WeakPolarHBondContact O-CZ3 3.21Å; E210-W241 HydrophobicContact CG-CH2 4.25Å; E210-W241 HydrophobicContact CG-CZ2 4.21Å; F213-W241 HydrophobicContact CB-CH2 4.21Å; F213-W241 HydrophobicContact CB-CZ3 3.92Å; F213-W241 HydrophobicContact CG-CZ3 4.39Å; Q237-W241 WeakPolarHBondContact O-CB 3.27Å; Q237-W241 PolarHBondContact O-N 2.71Å; I238-W241 PolarHBondContact O-N 3.03Å; W241-Q243 VanDerWaalsContact C-N 3.3Å; W241-Q243 PolarHBondContact O-N 3.09Å; W241-N244 PolarHBondContact O-N 3.38Å; W241-N244 VanDerWaalsContact O-N 3.17Å; W241-R245 HydrophobicContact CD2-CB 4.46Å; W241-R245 HydrophobicContact CE3-CB 3.86Å; W241-R245 HydrophobicContact CE3-CG 4.4Å; W241-R245 HydrophobicContact CH2-CB 3.92Å; W241-R245 HydrophobicContact CH2-CG 3.57Å; W241-R245 HydrophobicContact CZ2-CG 4.35Å; W241-R245 HydrophobicContact CZ3-CB 3.56Å; W241-R245 HydrophobicContact CZ3-CG 3.61Å; W241-R245 WeakPolarHBondContact O-CB 3.5Å; W241-R245 PolarHBondContact O-N 3.15Å |
| 242 | F | 98.8 | Very high | 97.8 | Very high | 8 Ų | 8 | 79.4 Ų | 79.4 | 4% | 0.035 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.7 | -26.9 | 176.1 | -90.8 | -99.8 | 0 | 0 | 0 | 113.9 | L209 E212 F213 L219 I238 R246 | L209-F242 HydrophobicContact CD2-CE2 3.95Å; E212-F242 HydrophobicContact CB-CZ 4.05Å; F213-F242 HydrophobicContact CB-CE1 4Å; F213-F242 HydrophobicContact CB-CZ 4.12Å; F213-F242 AromaticContact CD2-CD1 3.97Å; F213-F242 HydrophobicContact CD2-CD1 3.97Å; F213-F242 AromaticContact CD2-CE1 3.85Å; F213-F242 HydrophobicContact CD2-CE1 3.85Å; F213-F242 HydrophobicContact CG-CE1 4.45Å; L219-F242 HydrophobicContact CD1-CD2 4Å; L219-F242 HydrophobicContact CD1-CE1 4.2Å; L219-F242 HydrophobicContact CD1-CE2 3.58Å; L219-F242 HydrophobicContact CD1-CG 4.49Å; L219-F242 HydrophobicContact CD1-CZ 3.7Å; L219-F242 HydrophobicContact CD2-CE1 3.94Å; L219-F242 HydrophobicContact CD2-CZ 3.93Å; L219-F242 HydrophobicContact CG-CD1 4.01Å; L219-F242 HydrophobicContact CG-CD2 4.3Å; L219-F242 HydrophobicContact CG-CE1 3.68Å; L219-F242 HydrophobicContact CG-CE2 4Å; L219-F242 HydrophobicContact CG-CG 4.31Å; L219-F242 HydrophobicContact CG-CZ 3.69Å; I238-F242 HydrophobicContact CG2-CD2 4.03Å; I238-F242 HydrophobicContact CG2-CE2 4.29Å; I238-F242 WeakPolarHBondContact O-CD2 3.48Å; I238-F242 PolarHBondContact O-N 3.44Å; F242-R246 WeakPolarHBondContact O-CB 3.37Å; F242-R246 WeakPolarHBondContact O-CG 3.45Å; F242-R246 PolarHBondContact O-N 3.43Å; F242-R246 PolarHBondContact O-NE 3.04Å |
| 243 | Q | 98.7 | Very high | 97.4 | Very high | 89 Ų | 89 | 74.2 Ų | 74.2 | 42% | 0.416 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.6 | -47 | 170.5 | -172 | 63.1 | 45.5 | 0 | 0 | 111.2 | K239 I240 W241 M247 | K239-Q243 WeakPolarHBondContact O-CB 3.22Å; K239-Q243 PolarHBondContact O-N 3.2Å; I240-Q243 PolarHBondContact O-N 2.93Å; W241-Q243 VanDerWaalsContact C-N 3.3Å; W241-Q243 PolarHBondContact O-N 3.09Å; Q243-M247 WeakPolarHBondContact O-CG 3.23Å; Q243-M247 PolarHBondContact O-N 3.17Å; Q243-M247 VanDerWaalsContact O-N 3.12Å |
| 244 | N | 98.4 | Very high | 96.8 | Very high | 101 Ų | 101 | 80.7 Ų | 80.7 | 54% | 0.54 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 177.7 | -67.9 | -14.6 | 0 | 0 | 0 | 111.5 | I240 W241 M247 K248 | I240-N244 WeakPolarHBondContact O-CB 3.4Å; I240-N244 VanDerWaalsContact O-CG 3.25Å; I240-N244 PolarHBondContact O-N 3.12Å; I240-N244 PolarHBondContact O-ND2 3.26Å; W241-N244 PolarHBondContact O-N 3.38Å; W241-N244 VanDerWaalsContact O-N 3.17Å; N244-M247 PolarHBondContact O-N 3.21Å; N244-K248 PolarHBondContact O-N 3.05Å |
| 245 | R | 98.6 | Very high | 96 | Very high | 26 Ų | 26 | 81 Ų | 81 | 10% | 0.098 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.8 | -39.7 | -179.2 | -168.1 | 62.4 | 171.5 | 98.7 | -13.1 | 112.6 | E210 F213 W241 K248 Y249 | E210-R245 VanDerWaalsContact CD-NH2 3.3Å; E210-R245 IonicContact OE1-CZ 2.77Å; E210-R245 IonicContact OE1-NE 3.73Å; E210-R245 PolarHBondContact OE1-NE 2.91Å; E210-R245 IonicContact OE1-NH2 2.73Å; E210-R245 PolarHBondContact OE1-NH2 3.45Å; E210-R245 IonicContact OE2-NH2 3.76Å; E210-R245 PolarHBondContact OE2-NH2 3.25Å; F213-R245 HydrophobicContact CB-CG 4.38Å; F213-R245 HydrophobicContact CD1-CG 3.54Å; F213-R245 HydrophobicContact CD2-CB 4.3Å; F213-R245 HydrophobicContact CD2-CG 3.85Å; F213-R245 HydrophobicContact CE1-CG 3.72Å; F213-R245 HydrophobicContact CE2-CB 4.39Å; F213-R245 HydrophobicContact CE2-CG 4.02Å; F213-R245 HydrophobicContact CG-CB 4.49Å; F213-R245 HydrophobicContact CG-CG 3.61Å; F213-R245 HydrophobicContact CZ-CG 3.95Å; W241-R245 HydrophobicContact CD2-CB 4.46Å; W241-R245 HydrophobicContact CE3-CB 3.86Å; W241-R245 HydrophobicContact CE3-CG 4.4Å; W241-R245 HydrophobicContact CH2-CB 3.92Å; W241-R245 HydrophobicContact CH2-CG 3.57Å; W241-R245 HydrophobicContact CZ2-CG 4.35Å; W241-R245 HydrophobicContact CZ3-CB 3.56Å; W241-R245 HydrophobicContact CZ3-CG 3.61Å; W241-R245 WeakPolarHBondContact O-CB 3.5Å; W241-R245 PolarHBondContact O-N 3.15Å; R245-K248 PolarHBondContact O-N 2.87Å; R245-Y249 VanDerWaalsContact O-CB 3.27Å; R245-Y249 WeakPolarHBondContact O-CB 3.41Å; R245-Y249 PolarHBondContact O-N 2.96Å |
| 246 | R | 98.3 | Very high | 95 | Very high | 58 Ų | 58 | 85.6 Ų | 85.6 | 22% | 0.219 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 170.8 | -78.2 | 179.4 | -72.1 | 143.7 | 6.9 | 112.4 | F213 R217 F242 Y249 K250 | F213-R246 HydrophobicContact CE2-CG 3.75Å; F213-R246 HydrophobicContact CZ-CG 4.35Å; R217-R246 VanDerWaalsContact O-CD 3.28Å; R217-R246 WeakPolarHBondContact O-CD 3.42Å; F242-R246 WeakPolarHBondContact O-CB 3.37Å; F242-R246 WeakPolarHBondContact O-CG 3.45Å; F242-R246 PolarHBondContact O-N 3.43Å; F242-R246 PolarHBondContact O-NE 3.04Å; R246-Y249 PolarHBondContact O-N 3.47Å; R246-K250 WeakPolarHBondContact O-CB 3.36Å; R246-K250 PolarHBondContact O-N 3.25Å |
| 247 | M | 98.2 | Very high | 93.5 | Very high | 103 Ų | 103 | 79.2 Ų | 79.2 | 51% | 0.507 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 176.5 | -69.9 | -66.1 | -78.8 | 0 | 0 | 112.2 | Q243 N244 K251 | Q243-M247 WeakPolarHBondContact O-CG 3.23Å; Q243-M247 PolarHBondContact O-N 3.17Å; Q243-M247 VanDerWaalsContact O-N 3.12Å; N244-M247 PolarHBondContact O-N 3.21Å; M247-K251 PolarHBondContact O-N 3.25Å |
| 248 | K | 97.1 | Very high | 91.7 | Very high | 115 Ų | 115 | 82.4 Ų | 82.4 | 50% | 0.5 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.4 | -53.5 | 170.4 | -170.5 | -165.2 | 168.5 | -174.8 | 0 | 110.5 | N244 R245 K250 K251 D252 | N244-K248 PolarHBondContact O-N 3.05Å; R245-K248 PolarHBondContact O-N 2.87Å; K248-K250 VanDerWaalsContact C-N 3.3Å; K248-K250 PolarHBondContact O-N 3.08Å; K248-K251 CarbonylContact O-C 3.57Å; K248-K251 WeakPolarHBondContact O-CA 3.39Å; K248-K251 WeakPolarHBondContact O-CB 3.36Å; K248-K251 PolarHBondContact O-N 3.46Å; K248-D252 WeakPolarHBondContact CE-OD2 3.44Å; K248-D252 WeakPolarHBondContact CG-OD2 3.44Å; K248-D252 PolarHBondContact O-N 2.84Å |
| 249 | Y | 96.6 | Very high | 89.8 | Confident | 85 Ų | 85 | 88.6 Ų | 88.6 | 33% | 0.333 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -54.3 | -42.8 | 179.4 | -178 | -101.4 | 0 | 0 | 0 | 112.9 | F213 R245 R246 K251 D252 Q253 | F213-Y249 HydrophobicContact CE1-CD2 4.12Å; F213-Y249 HydrophobicContact CE1-CG 4.22Å; F213-Y249 HydrophobicContact CZ-CD2 4.4Å; F213-Y249 HydrophobicContact CZ-CG 4.06Å; R245-Y249 VanDerWaalsContact O-CB 3.27Å; R245-Y249 WeakPolarHBondContact O-CB 3.41Å; R245-Y249 PolarHBondContact O-N 2.96Å; R246-Y249 PolarHBondContact O-N 3.47Å; Y249-K251 VanDerWaalsContact C-N 3.33Å; Y249-K251 PolarHBondContact O-N 3.21Å; Y249-D252 PolarHBondContact O-N 3.28Å; Y249-Q253 HydrophobicContact CD1-CG 4.32Å; Y249-Q253 HydrophobicContact CD2-CG 4.42Å; Y249-Q253 HydrophobicContact CE1-CG 3.95Å; Y249-Q253 HydrophobicContact CE2-CG 4.05Å; Y249-Q253 VanDerWaalsContact CZ-NE2 3.34Å; Y249-Q253 WeakPolarHBondContact O-CG 3.39Å; Y249-Q253 PolarHBondContact O-N 3.14Å; Y249-Q253 PolarHBondContact OH-NE2 3.44Å |
| 250 | K | 95.8 | Very high | 87.5 | Confident | 127 Ų | 127 | 89.1 Ų | 89.1 | 55% | 0.552 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.8 | -36.5 | 174.6 | -175.4 | 173 | 65.2 | 174.7 | 0 | 112.7 | R246 K248 K254 | R246-K250 WeakPolarHBondContact O-CB 3.36Å; R246-K250 PolarHBondContact O-N 3.25Å; K248-K250 VanDerWaalsContact C-N 3.3Å; K248-K250 PolarHBondContact O-N 3.08Å; K250-K254 WeakPolarHBondContact O-CG 3.38Å; K250-K254 PolarHBondContact O-N 2.71Å |
| 251 | K | 95.4 | Very high | 85 | Confident | 161 Ų | 161 | 91.1 Ų | 91.1 | 70% | 0.7 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -70 | -47.3 | 173.8 | -171.5 | -172.9 | 176.9 | -171 | 0 | 110.9 | M247 K248 Y249 Q253 K254 A255 | M247-K251 PolarHBondContact O-N 3.25Å; K248-K251 CarbonylContact O-C 3.57Å; K248-K251 WeakPolarHBondContact O-CA 3.39Å; K248-K251 WeakPolarHBondContact O-CB 3.36Å; K248-K251 PolarHBondContact O-N 3.46Å; Y249-K251 VanDerWaalsContact C-N 3.33Å; Y249-K251 PolarHBondContact O-N 3.21Å; K251-Q253 PolarHBondContact O-N 3.18Å; K251-K254 PolarHBondContact O-N 2.91Å; K251-A255 PolarHBondContact O-N 3.17Å |
| 252 | D | 93 | Very high | 82.8 | Confident | 51 Ų | 51 | 96.7 Ų | 96.7 | 27% | 0.273 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | -178.2 | -60.3 | -12.7 | 0 | 0 | 0 | 111.2 | K248 Y249 A255 K256 | K248-D252 WeakPolarHBondContact CE-OD2 3.44Å; K248-D252 WeakPolarHBondContact CG-OD2 3.44Å; K248-D252 PolarHBondContact O-N 2.84Å; Y249-D252 PolarHBondContact O-N 3.28Å; D252-A255 PolarHBondContact O-N 2.86Å; D252-K256 WeakPolarHBondContact O-CG 3.18Å; D252-K256 PolarHBondContact O-N 2.93Å; D252-K256 VanDerWaalsContact O-N 3.15Å |
| 253 | Q | 90.7 | Very high | 80.4 | Confident | 41 Ų | 41 | 100.7 Ų | 100.7 | 19% | 0.192 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -67.1 | -37.6 | 178.4 | -69.3 | -65.1 | 10.6 | 0 | 0 | 113 | Y249 K251 A255 K256 L259 | Y249-Q253 HydrophobicContact CD1-CG 4.32Å; Y249-Q253 HydrophobicContact CD2-CG 4.42Å; Y249-Q253 HydrophobicContact CE1-CG 3.95Å; Y249-Q253 HydrophobicContact CE2-CG 4.05Å; Y249-Q253 VanDerWaalsContact CZ-NE2 3.34Å; Y249-Q253 WeakPolarHBondContact O-CG 3.39Å; Y249-Q253 PolarHBondContact O-N 3.14Å; Y249-Q253 PolarHBondContact OH-NE2 3.44Å; K251-Q253 PolarHBondContact O-N 3.18Å; Q253-A255 VanDerWaalsContact C-N 3.28Å; Q253-A255 PolarHBondContact O-N 3.25Å; Q253-K256 PolarHBondContact O-N 3.32Å; Q253-L259 HydrophobicContact CB-CD1 4.4Å |
| 254 | K | 85.4 | Confident | 78.2 | Confident | 150 Ų | 150 | 99.7 Ų | 99.7 | 65% | 0.652 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.6 | -29.7 | 173.3 | -71.1 | -167 | 68.3 | 164.2 | 0 | 112.8 | K250 K251 | K250-K254 WeakPolarHBondContact O-CG 3.38Å; K250-K254 PolarHBondContact O-N 2.71Å; K251-K254 PolarHBondContact O-N 2.91Å |
| 255 | A | 82.3 | Confident | 75.8 | Confident | 85 Ų | 85 | 104.2 Ų | 104.2 | 70% | 0.702 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -77.5 | -20 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K251 D252 Q253 | K251-A255 PolarHBondContact O-N 3.17Å; D252-A255 PolarHBondContact O-N 2.86Å; Q253-A255 VanDerWaalsContact C-N 3.28Å; Q253-A255 PolarHBondContact O-N 3.25Å |
| 256 | K | 78.1 | Confident | 73.3 | Confident | 150 Ų | 150 | 108.1 Ų | 108.1 | 65% | 0.652 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 4.4 | -178.1 | -72.9 | -177.7 | 176.8 | -162 | 0 | 114.8 | D252 Q253 I258 | D252-K256 WeakPolarHBondContact O-CG 3.18Å; D252-K256 PolarHBondContact O-N 2.93Å; D252-K256 VanDerWaalsContact O-N 3.15Å; Q253-K256 PolarHBondContact O-N 3.32Å; K256-I258 HydrophobicContact CB-CD1 3.89Å; K256-I258 HydrophobicContact CB-CG1 4.33Å; K256-I258 HydrophobicContact CD-CD1 4.44Å; K256-I258 PolarHBondContact O-N 2.91Å |
| 257 | G | 65.8 | Low | 71.2 | Confident | 40 Ų | 40 | 111 Ų | 111 | 41% | 0.412 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 71.9 | -7.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116 | L259 H260 | G257-L259 PolarHBondContact O-N 3.05Å; G257-H260 PolarHBondContact O-N 3.11Å |
| 258 | I | 61.6 | Low | 68.6 | Low | 118 Ų | 118 | 114 Ų | 114 | 61% | 0.605 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -1.3 | -173 | -69 | 161.6 | 0 | 0 | 0 | 114.1 | K256 | K256-I258 HydrophobicContact CB-CD1 3.89Å; K256-I258 HydrophobicContact CB-CG1 4.33Å; K256-I258 HydrophobicContact CD-CD1 4.44Å; K256-I258 PolarHBondContact O-N 2.91Å |
| 259 | L | 57.5 | Low | 66.4 | Low | 131 Ų | 131 | 119.8 Ų | 119.8 | 69% | 0.686 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | 20.8 | 168.9 | -82.9 | 97.8 | 0 | 0 | 0 | 113.6 | Q253 G257 | Q253-L259 HydrophobicContact CB-CD1 4.4Å; G257-L259 PolarHBondContact O-N 3.05Å |
| 260 | H | 50.5 | Low | 64.1 | Low | 144 Ų | 144 | 119.7 Ų | 119.7 | 67% | 0.667 | 66% | 0.662 | S | S | * | * | | | trans | -110.8 | 98.2 | 171.3 | -85 | -142 | 0 | 0 | 0 | 110.1 | G257 | G257-H260 PolarHBondContact O-N 3.11Š|
| 261 | S | 45.1 | Very low | 62 | Low | 105 Ų | 105 | 119.6 Ų | 119.6 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | | | trans | -59.5 | 152.9 | 156.7 | -55.2 | 0 | 0 | 0 | 0 | 109.8 | A263 | S261-A263 PolarHBondContact O-N 3.39Š|
| 262 | P | 52.8 | Low | 59.8 | Low | 142 Ų | 142 | 117.9 Ų | 117.9 | 92% | 0.922 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -77 | 79.3 | -167.1 | 31.2 | -36.8 | 0 | 0 | 0 | 113 | | |
| 263 | A | 47.8 | Very low | 57.7 | Low | 92 Ų | 92 | 123.9 Ų | 123.9 | 76% | 0.76 | 71% | 0.711 | S | S | * | * | | | trans | -140.2 | 57 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S261 | S261-A263 PolarHBondContact O-N 3.39Š|
| 264 | G | 53 | Low | 55.1 | Low | 68 Ų | 68 | 126 Ų | 126 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | trans | 78.5 | 163.6 | 151.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 265 | Q | 47.5 | Very low | 52.7 | Low | 197 Ų | 197 | 122 Ų | 122 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | | | trans | 66.4 | 98.7 | 164.7 | -60 | -179.3 | 94.6 | 0 | 0 | 117.5 | | |
| 266 | S | 46.6 | Very low | 50.6 | Low | 107 Ų | 107 | 123 Ų | 123 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | -65.5 | 138 | 163.1 | -177.3 | 0 | 0 | 0 | 0 | 111 | E268 | S266-E268 VanDerWaalsContact C-N 3.32Å; S266-E268 PolarHBondContact O-N 3.04Å |
| 267 | P | 53.6 | Low | 48.8 | Very low | 120 Ų | 120 | 120.8 Ų | 120.8 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | | | trans | -81.7 | 75.1 | 173.8 | 34.7 | -34.5 | 0 | 0 | 0 | 110.6 | R269 | P267-R269 PolarHBondContact O-N 2.8Š|
| 268 | E | 44.3 | Very low | 47.3 | Very low | 165 Ų | 165 | 122.9 Ų | 122.9 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | | | trans | -64.4 | 133.4 | 169.4 | -149.6 | -140.5 | 126.6 | 0 | 0 | 109.7 | S266 | S266-E268 VanDerWaalsContact C-N 3.32Å; S266-E268 PolarHBondContact O-N 3.04Å |
| 269 | R | 50.9 | Low | 46.2 | Very low | 237 Ų | 237 | 125.9 Ų | 125.9 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | | | trans | -125.1 | 57.7 | -162.1 | -163.9 | -167.1 | 172.8 | -165.4 | -4 | 112.1 | P267 | P267-R269 PolarHBondContact O-N 2.8Š|
| 270 | S | 48.5 | Very low | 45.5 | Very low | 83 Ų | 83 | 126.3 Ų | 126.3 | 58% | 0.58 | 80% | 0.804 | S | S | * | * | | | trans | -142 | 122.6 | 176.9 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | P272 | S270-P272 WeakPolarHBondContact O-CD 3.28Š|
| 271 | P | 51.7 | Low | 45 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | | | trans | -85.4 | 116.4 | 158.8 | 31.5 | -26.8 | 0 | 0 | 0 | 109 | L273 | P271-L273 PolarHBondContact O-N 2.79Š|
| 272 | P | 49.1 | Very low | 44.8 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -70.6 | 119.9 | 177.3 | 27.7 | -32.9 | 0 | 0 | 0 | 110.5 | S270 G274 | S270-P272 WeakPolarHBondContact O-CD 3.28Å; P272-G274 PolarHBondContact O-N 2.97Å |
| 273 | L | 48.7 | Very low | 44.3 | Very low | 176 Ų | 176 | 127.6 Ų | 127.6 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | | | trans | -78.9 | 97.5 | 175.9 | -162.7 | 77.8 | 0 | 0 | 0 | 109.1 | P271 G275 | P271-L273 PolarHBondContact O-N 2.79Å; L273-G275 PolarHBondContact O-N 3.03Å |
| 274 | G | 35.4 | Very low | 43.9 | Very low | 87 Ų | 87 | 126.1 Ų | 126.1 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | | | trans | -66.7 | 99.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P272 | P272-G274 PolarHBondContact O-N 2.97Š|
| 275 | G | 35.4 | Very low | 43.1 | Very low | 66 Ų | 66 | 131.1 Ų | 131.1 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | | | trans | -150 | 68.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | L273 | L273-G275 PolarHBondContact O-N 3.03Š|
| 276 | A | 38.5 | Very low | 42.6 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | 66.2 | 161.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 277 | A | 39.4 | Very low | 42.6 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | 57 | 94.4 | 166 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 278 | G | 36.2 | Very low | 42.6 | Very low | 84 Ų | 84 | 129.4 Ų | 129.4 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | | | trans | -91.2 | 142.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 279 | H | 37.7 | Very low | 42.5 | Very low | 181 Ų | 181 | 128.3 Ų | 128.3 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | trans | -157.1 | 104.5 | 169.9 | 176.1 | -85.7 | 0 | 0 | 0 | 111 | | |
| 280 | V | 42.3 | Very low | 42.1 | Very low | 141 Ų | 141 | 123.4 Ų | 123.4 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | | | trans | -141.3 | 96.4 | 173.6 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 281 | A | 40.1 | Very low | 41.4 | Very low | 81 Ų | 81 | 122.8 Ų | 122.8 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | | | trans | 58.8 | 143.9 | 139.1 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 282 | Y | 41.8 | Very low | 40.7 | Very low | 231 Ų | 231 | 125.4 Ų | 125.4 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | | | trans | 90 | 164.1 | 149 | -138.4 | -103.3 | 0 | 0 | 0 | 119.8 | | |
| 283 | S | 42.1 | Very low | 40.4 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | | | trans | -147.9 | 150.5 | -151.9 | -177.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 284 | G | 38.6 | Very low | 39.8 | Very low | 61 Ų | 61 | 127 Ų | 127 | 63% | 0.629 | 81% | 0.813 | S | S | * | * | | | trans | 162.5 | 118.2 | 171 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 285 | Q | 37 | Very low | 40.1 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | | | trans | 6.6 | 110.6 | 163.9 | -79.8 | 76.7 | -10.5 | 0 | 0 | 121.9 | | |
| 286 | L | 35.8 | Very low | 40.1 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | | | | 36.8 | 152.5 | 101.9 | -71.5 | -177.2 | 0 | 0 | 0 | 121.9 | | |
| 287 | P | 48 | Very low | 40.3 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | | | cis | -137.1 | -141.3 | -11.7 | 46.1 | -24.6 | 0 | 0 | 0 | 113.3 | | |
| 288 | P | 53.3 | Low | 40.6 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | | -134.2 | 165.3 | -128.7 | 37.5 | -13.3 | 0 | 0 | 0 | 119.4 | | |
| 289 | V | 40.8 | Very low | 41.5 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | | | trans | -144 | 148.6 | 153.8 | -75.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 290 | P | 42.8 | Very low | 42.3 | Very low | 134 Ų | 134 | 130.8 Ų | 130.8 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | | | trans | -99 | 152.6 | -174.5 | 37.4 | -34.2 | 0 | 0 | 0 | 114 | | |
| 291 | G | 34.1 | Very low | 42.3 | Very low | 70 Ų | 70 | 128.7 Ų | 128.7 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | trans | -178.2 | 122.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 292 | L | 37.9 | Very low | 42.1 | Very low | 178 Ų | 178 | 133.7 Ų | 133.7 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | | | trans | 59 | 106.6 | 156.1 | -50.5 | -177.3 | 0 | 0 | 0 | 118.6 | | |
| 293 | A | 41.2 | Very low | 42 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -74.7 | 151.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 294 | Y | 37.5 | Very low | 41.8 | Very low | 231 Ų | 231 | 130.2 Ų | 130.2 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | | | trans | -140.3 | 136.2 | 164.6 | -160.5 | -94.2 | 0 | 0 | 0 | 110.3 | | |
| 295 | D | 40.8 | Very low | 41.6 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | trans | -89.1 | 146.8 | -174.9 | -171.6 | -104.1 | 0 | 0 | 0 | 111.5 | | |
| 296 | A | 36.4 | Very low | 41.6 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -126.7 | 108.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 297 | P | 42.5 | Very low | 42.3 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 138 | -167.2 | 29.2 | -35.4 | 0 | 0 | 0 | 113.7 | | |
| 298 | S | 46.3 | Very low | 42.2 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 135.9 | 168.8 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 299 | P | 54.4 | Low | 41.3 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 143.2 | 170.1 | 30.2 | -33.7 | 0 | 0 | 0 | 111.6 | | |
| 300 | P | 53.4 | Low | 41.4 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 165 | -173.1 | 35.1 | -37.3 | 0 | 0 | 0 | 114.1 | | |
| 301 | A | 43.5 | Very low | 41.1 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | | | trans | -115.1 | 123.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 302 | F | 35.7 | Very low | 41.5 | Very low | 187 Ų | 187 | 134.9 Ų | 134.9 | 82% | 0.82 | 78% | 0.775 | S | S | * | * | | | trans | -157.3 | 132.6 | 167.7 | -133.8 | -106.2 | 0 | 0 | 0 | 107 | | |
| 303 | A | 39 | Very low | 41.4 | Very low | 73 Ų | 73 | 131.2 Ų | 131.2 | 60% | 0.603 | 77% | 0.77 | S | S | * | * | | | cis | 96.6 | 130.6 | 23.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 304 | K | 39.4 | Very low | 41 | Very low | 191 Ų | 191 | 129.9 Ų | 129.9 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | | | trans | 71.3 | 156.1 | 170.3 | -67.4 | 177.9 | 178.8 | 177.1 | 0 | 118.7 | | |
| 305 | S | 32.7 | Very low | 40.8 | Very low | 92 Ų | 92 | 129 Ų | 129 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | | | cis | -178.4 | 134 | -38.9 | 52.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 306 | Q | 39.1 | Very low | 40.6 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 76% | 0.757 | 76% | 0.758 | S | S | * | * | | | trans | 65.7 | 162.7 | 144.9 | -74.3 | -62.3 | -19 | 0 | 0 | 117.6 | | |
| 307 | P | 50.4 | Low | 40.9 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | | | cis | -137.5 | 130.1 | 36.8 | 37.6 | -15.9 | 0 | 0 | 0 | 120.3 | | |
| 308 | N | 45.2 | Very low | 41.1 | Very low | 87 Ų | 87 | 129.6 Ų | 129.6 | 47% | 0.465 | 77% | 0.765 | S | S | . | * | | | | 39.3 | 127.4 | 114.8 | -173.1 | 36.3 | 0 | 0 | 0 | 121.7 | Y310 | N308-Y310 PolarHBondContact ND2-OH 3.25Š|
| 309 | M | 33.9 | Very low | 41 | Very low | 164 Ų | 164 | 132 Ų | 132 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | | | trans | -152.4 | 152.6 | 140.5 | -154.1 | 59.2 | 69.8 | 0 | 0 | 112.5 | | |
| 310 | Y | 43.6 | Very low | 40.1 | Very low | 190 Ų | 190 | 131.1 Ų | 131.1 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | | | trans | -77.4 | 173.5 | -169.8 | -53.4 | -91.2 | 0 | 0 | 0 | 114.3 | N308 | N308-Y310 PolarHBondContact ND2-OH 3.25Š|
| 311 | G | 35.4 | Very low | 39 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | | | cis | -166.8 | -136.3 | 17.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 312 | L | 43.6 | Very low | 38.4 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 94% | 0.937 | 76% | 0.759 | S | S | * | * | | | trans | -113.1 | 174.9 | -150.1 | -69.3 | 168.5 | 0 | 0 | 0 | 116.9 | | |
| 313 | A | 35.5 | Very low | 38.6 | Very low | 101 Ų | 101 | 130 Ų | 130 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | | | trans | 78.3 | 162.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 314 | A | 32.7 | Very low | 38.8 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 62% | 0.62 | 77% | 0.77 | S | S | * | * | | | cis | -178.4 | 167.9 | -34.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 315 | Y | 33.7 | Very low | 38.7 | Very low | 214 Ų | 214 | 132.3 Ų | 132.3 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | trans | 74.1 | 143.1 | 163.3 | -69.6 | -76.9 | 0 | 0 | 0 | 121.9 | | |
| 316 | T | 35.6 | Very low | 38.9 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | 50.8 | 118.3 | 149.4 | 53.1 | 0 | 0 | 0 | 0 | 121.4 | | |
| 317 | A | 42.8 | Very low | 38.7 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -79.2 | 153.7 | 145.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 318 | P | 47.8 | Very low | 37.8 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | | -137 | 173.2 | 126.2 | 38.4 | -27.6 | 0 | 0 | 0 | 115.2 | | |
| 319 | L | 43.1 | Very low | 37 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | | | trans | -69.9 | 162.6 | -165.5 | -57.4 | 158.8 | 0 | 0 | 0 | 117 | | |
| 320 | S | 35.4 | Very low | 36.8 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | 88.5 | 112.8 | 141.5 | -64.4 | 0 | 0 | 0 | 0 | 123.3 | | |
| 321 | S | 31.7 | Very low | 36.3 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | | | | 91 | 154.8 | 124.3 | 74.2 | 0 | 0 | 0 | 0 | 123.1 | | |
| 322 | C | 31.1 | Very low | 37 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | | | trans | 85.5 | 95.4 | 158.7 | -64.2 | 0 | 0 | 0 | 0 | 122.1 | | |
| 323 | L | 39.2 | Very low | 36.2 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | | | trans | 40.7 | 149.9 | 130.2 | -72.3 | 161.9 | 0 | 0 | 0 | 123.6 | | |
| 324 | P | 43.3 | Very low | 35.9 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | -93.5 | 162.4 | -169 | 38.2 | -37.9 | 0 | 0 | 0 | 116.6 | | |
| 325 | Q | 36.5 | Very low | 36.1 | Very low | 195 Ų | 195 | 146.3 Ų | 146.3 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | | | trans | -110.5 | 102.5 | 177 | -74.8 | -169.7 | -16 | 0 | 0 | 115 | | |
| 326 | Q | 36.3 | Very low | 36.7 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | | 32.2 | 144.7 | 118.7 | -113.9 | -170.1 | 36.7 | 0 | 0 | 123.7 | | |
| 327 | K | 35.8 | Very low | 37 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | trans | 88.9 | 144 | 159.3 | -60.6 | 174.8 | -175.3 | 172 | 0 | 117.3 | | |
| 328 | R | 31.1 | Very low | 37.7 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | | | cis | -164.9 | 138.3 | -8.9 | -104.2 | -98.1 | -167.5 | 152.4 | -1.2 | 110.6 | | |
| 329 | Y | 29.2 | Very low | 37 | Very low | 200 Ų | 200 | 144.3 Ų | 144.3 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | | | trans | 65.7 | 149.4 | 152.9 | -82.5 | -136.5 | 0 | 0 | 0 | 118.1 | | |
| 330 | A | 29.1 | Very low | 36.7 | Very low | 88 Ų | 88 | 141 Ų | 141 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | cis | -154.6 | 159 | -9.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 331 | A | 33.5 | Very low | 36.5 | Very low | 80 Ų | 80 | 141.6 Ų | 141.6 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | | | trans | -96.7 | 174.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 332 | P | 50.8 | Low | 36.6 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | | | | -120.2 | 145.5 | 75.1 | 1.8 | 21.1 | 0 | 0 | 0 | 112.5 | | |
| 333 | E | 26.8 | Very low | 36.6 | Very low | 179 Ų | 179 | 141.6 Ų | 141.6 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | | | | 68.9 | 106.4 | 67.7 | -61.6 | 178.2 | 127.1 | 0 | 0 | 114.9 | | |
| 334 | F | 29.4 | Very low | 36.2 | Very low | 196 Ų | 196 | 137.3 Ų | 137.3 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | | -164.6 | 121 | 121.6 | -159.8 | -101.7 | 0 | 0 | 0 | 112.8 | | |
| 335 | E | 36.6 | Very low | 35.7 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | trans | -128.1 | 134.9 | 160.3 | 175.2 | 177.4 | 160.7 | 0 | 0 | 103.3 | | |
| 336 | P | 46.2 | Very low | 35.7 | Very low | 77 Ų | 77 | 135 Ų | 135 | 50% | 0.5 | 76% | 0.758 | S | S | . | * | | | | -161.1 | 159.9 | 72.2 | 42.6 | -19.8 | 0 | 0 | 0 | 122.1 | | |
| 337 | H | 41.5 | Very low | 35.6 | Very low | 161 Ų | 161 | 132 Ų | 132 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | | | trans | 63.9 | -167 | 148.6 | -46.9 | -25.9 | 0 | 0 | 0 | 118 | | |
| 338 | P | 57.9 | Low | 35.6 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | | | | -129 | -170.9 | -112.6 | 38.6 | -17 | 0 | 0 | 0 | 113.9 | | |
| 339 | M | 33 | Very low | 35.9 | Very low | 178 Ų | 178 | 125.6 Ų | 125.6 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | | | | 174.9 | 167.2 | 128.1 | -88.9 | -42.8 | 162.7 | 0 | 0 | 110.9 | | |
| 340 | A | 36.9 | Very low | 36 | Very low | 96 Ų | 96 | 123 Ų | 123 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | | | trans | -91.9 | 161.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 341 | S | 30.7 | Very low | 36.8 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | | 159.9 | 125.7 | 129.6 | -166.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 342 | N | 33.9 | Very low | 37 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | 36.2 | 123.6 | 137.4 | -168 | 50.6 | 0 | 0 | 0 | 122.8 | | |
| 343 | G | 30.1 | Very low | 36.2 | Very low | 66 Ų | 66 | 130.2 Ų | 130.2 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | | | | 108.1 | 123.9 | 124.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 344 | G | 32.1 | Very low | 36.7 | Very low | 81 Ų | 81 | 127.2 Ų | 127.2 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | | | trans | 75.1 | 144.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 345 | G | 33.5 | Very low | 37.8 | Very low | 74 Ų | 74 | 123.2 Ų | 123.2 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | | | cis | 123 | 74.2 | -8.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 346 | F | 36 | Very low | 37.8 | Very low | 191 Ų | 191 | 121.2 Ų | 121.2 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | trans | -156.7 | 141.2 | 168.5 | 44.1 | -98.1 | 0 | 0 | 0 | 115.2 | | |
| 347 | A | 34.1 | Very low | 37.6 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | 45.3 | 139.3 | 144.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 348 | S | 35.7 | Very low | 37.5 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -89.8 | 154.4 | 179.5 | -42 | 0 | 0 | 0 | 0 | 115.3 | | |
| 349 | A | 36.4 | Very low | 36.3 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | | | trans | -158.1 | 102.5 | 143.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 350 | N | 32.6 | Very low | 36.3 | Very low | 145 Ų | 145 | 120.5 Ų | 120.5 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | | | | 54.4 | 99.9 | 75.5 | -166.7 | 1 | 0 | 0 | 0 | 114.3 | | |
| 351 | L | 45.4 | Very low | 36.1 | Very low | 170 Ų | 170 | 123 Ų | 123 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | | | trans | -147 | 134.7 | 158 | -107.8 | 166.3 | 0 | 0 | 0 | 110.1 | | |
| 352 | Q | 38.2 | Very low | 36.3 | Very low | 184 Ų | 184 | 126 Ų | 126 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | trans | -72.5 | 156.1 | -155.9 | -54.7 | 168.9 | 15.6 | 0 | 0 | 116.2 | | |
| 353 | G | 32.7 | Very low | 36.6 | Very low | 81 Ų | 81 | 123.6 Ų | 123.6 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | -178.3 | 111.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 354 | S | 37.3 | Very low | 36.8 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | -91 | 173.9 | 177.9 | -124.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 355 | P | 53.2 | Low | 36.9 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | cis | -140.1 | 156.1 | 13.4 | 40 | -20.5 | 0 | 0 | 0 | 119.4 | | |
| 356 | V | 36 | Very low | 37.2 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | | | trans | 31.5 | 118 | 136.5 | -170.9 | 0 | 0 | 0 | 0 | 120.6 | V358 | V356-V358 HydrophobicContact CG1-CG2 4.41Š|
| 357 | Y | 42.7 | Very low | 37.5 | Very low | 232 Ų | 232 | 130.6 Ų | 130.6 | 91% | 0.91 | 80% | 0.799 | S | S | * | * | | | | -139.2 | 163.4 | 128.7 | -154.1 | -97.9 | 0 | 0 | 0 | 110.7 | | |
| 358 | V | 39.5 | Very low | 38.4 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | trans | -110.6 | 134.4 | -164.1 | 170.4 | 0 | 0 | 0 | 0 | 113.3 | V356 | V356-V358 HydrophobicContact CG1-CG2 4.41Š|
| 359 | G | 32.3 | Very low | 38.3 | Very low | 80 Ų | 80 | 129.8 Ų | 129.8 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | 79.7 | 119.3 | 146.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 360 | G | 33.1 | Very low | 38.4 | Very low | 78 Ų | 78 | 131 Ų | 131 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | 174.4 | 62.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 361 | N | 32.6 | Very low | 38.6 | Very low | 150 Ų | 150 | 127.6 Ų | 127.6 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | | | trans | -67.5 | 156.2 | 165.4 | -78.1 | 16.5 | 0 | 0 | 0 | 110.6 | | |
| 362 | F | 35.7 | Very low | 38.7 | Very low | 176 Ų | 176 | 125.8 Ų | 125.8 | 77% | 0.772 | 79% | 0.79 | S | S | * | * | | | cis | -153.4 | -173.4 | -3.4 | -143.4 | -125.1 | 0 | 0 | 0 | 111.1 | | |
| 363 | V | 39.9 | Very low | 38.9 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 64% | 0.642 | 78% | 0.783 | S | S | * | * | | | trans | -52.6 | 142.7 | 172.9 | -173.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 364 | E | 33.4 | Very low | 39.1 | Very low | 184 Ų | 184 | 128.7 Ų | 128.7 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -134.2 | 119.4 | 166.9 | -176.8 | 61.2 | -106 | 0 | 0 | 109.5 | | |
| 365 | S | 35.5 | Very low | 38.9 | Very low | 91 Ų | 91 | 130 Ų | 130 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | | | trans | -137.7 | 96.5 | -169.9 | -78.8 | 0 | 0 | 0 | 0 | 113 | | |
| 366 | M | 39.4 | Very low | 38.3 | Very low | 188 Ų | 188 | 133 Ų | 133 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | | | trans | 57.4 | 131.2 | 153 | -54 | -166.6 | -173 | 0 | 0 | 120.2 | | |
| 367 | A | 42.4 | Very low | 38.4 | Very low | 96 Ų | 96 | 130.6 Ų | 130.6 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | | | trans | -62.4 | 168.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 368 | P | 52.5 | Low | 38.4 | Very low | 122 Ų | 122 | 128 Ų | 128 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | | -156 | 164.9 | 88.4 | 41.6 | -22.7 | 0 | 0 | 0 | 119.5 | | |
| 369 | A | 34.2 | Very low | 38.2 | Very low | 86 Ų | 86 | 130.5 Ų | 130.5 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | trans | 64 | 117.7 | 137.2 | 0 | 0 | 0 | 0 | 0 | 125.8 | | |
| 370 | S | 38.1 | Very low | 38.4 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | | 72.8 | 127 | 124.6 | 66.6 | 0 | 0 | 0 | 0 | 125.4 | | |
| 371 | G | 37.3 | Very low | 38.8 | Very low | 74 Ų | 74 | 135.5 Ų | 135.5 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | | | trans | 95.3 | 167 | 147.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 372 | P | 47.2 | Very low | 39.7 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | cis | -135.5 | -161.9 | 3.3 | 44.4 | -26.4 | 0 | 0 | 0 | 116.3 | | |
| 373 | V | 42.1 | Very low | 40 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | | | trans | -58.1 | 155.9 | -166.7 | -61 | 0 | 0 | 0 | 0 | 121.8 | | |
| 374 | F | 37.7 | Very low | 40.1 | Very low | 207 Ų | 207 | 131.8 Ų | 131.8 | 91% | 0.908 | 80% | 0.796 | S | S | * | * | | | | -158.7 | 118.6 | 127.5 | -76 | -71.5 | 0 | 0 | 0 | 106.1 | | |
| 375 | N | 33.1 | Very low | 40.4 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | | 74.1 | 93 | 53.5 | -164.9 | 20.6 | 0 | 0 | 0 | 115.8 | | |
| 376 | L | 38.9 | Very low | 40.7 | Very low | 175 Ų | 175 | 127.8 Ų | 127.8 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | | | trans | -153.5 | 147.7 | 150.5 | -146.3 | 72.8 | 0 | 0 | 0 | 108.5 | | |
| 377 | G | 38.4 | Very low | 41.1 | Very low | 67 Ų | 67 | 125 Ų | 125 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | | | trans | -131.1 | -155.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 378 | H | 42.6 | Very low | 41.1 | Very low | 177 Ų | 177 | 127.5 Ų | 127.5 | 82% | 0.819 | 79% | 0.787 | S | S | * | * | | | trans | 76.6 | 101.9 | 176.2 | -115.5 | -102.7 | 0 | 0 | 0 | 117.8 | | |
| 379 | L | 36.3 | Very low | 40.4 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | | | | -162.6 | 159.7 | 112.5 | -124.3 | 70.4 | 0 | 0 | 0 | 110 | | |
| 380 | S | 35.6 | Very low | 41 | Very low | 82 Ų | 82 | 133.5 Ų | 133.5 | 57% | 0.573 | 80% | 0.797 | S | S | * | * | | | trans | -135.5 | 168.7 | -167 | -66.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 381 | H | 41.6 | Very low | 41.1 | Very low | 182 Ų | 182 | 133.2 Ų | 133.2 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | 81.2 | 153.6 | 167 | -46.9 | -74.1 | 0 | 0 | 0 | 117.5 | | |
| 382 | P | 52.7 | Low | 41.2 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | cis | -130.3 | 179.5 | -29.8 | 32.2 | -13 | 0 | 0 | 0 | 114.1 | | |
| 383 | S | 40.3 | Very low | 40.8 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | -87.5 | 157.6 | -179.9 | -178.6 | 0 | 0 | 0 | 0 | 114 | | |
| 384 | S | 42.6 | Very low | 40.5 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | -162 | 131.6 | 157 | -81.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 385 | A | 39 | Very low | 40.7 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | | | trans | 54.1 | 108.5 | 146.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 386 | S | 42.4 | Very low | 41.4 | Very low | 96 Ų | 96 | 133.6 Ų | 133.6 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | | | trans | -27.6 | 147.5 | 145.3 | 53.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 387 | V | 47.7 | Very low | 41.2 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | -141.5 | 107.5 | 134.1 | -172.1 | 0 | 0 | 0 | 0 | 109.6 | Y389 | V387-Y389 HydrophobicContact CG1-CD2 4.32Š|
| 388 | D | 43.2 | Very low | 41 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | -84.1 | 136.1 | 164.9 | -64.6 | -87.7 | 0 | 0 | 0 | 109.5 | | |
| 389 | Y | 38 | Very low | 41.2 | Very low | 205 Ų | 205 | 130 Ų | 130 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -137.5 | 83.4 | 177 | -138.7 | -87.2 | 0 | 0 | 0 | 112.7 | V387 | V387-Y389 HydrophobicContact CG1-CD2 4.32Š|
| 390 | S | 46.4 | Very low | 41.5 | Very low | 128 Ų | 128 | 131 Ų | 131 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | | | trans | -95 | 122 | 163.8 | -74.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 391 | C | 39.3 | Very low | 42.1 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | | | trans | -133.6 | 136.1 | 154.7 | 68.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 392 | A | 40.3 | Very low | 42.1 | Very low | 105 Ų | 105 | 130 Ų | 130 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | | | trans | -111.9 | 150.8 | 177 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 393 | A | 38.5 | Very low | 42 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -136.3 | 143.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 394 | Q | 36.6 | Very low | 42.1 | Very low | 197 Ų | 197 | 131.3 Ų | 131.3 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | | | trans | -100.7 | 160.3 | -171.5 | -70.6 | 171.1 | -35.8 | 0 | 0 | 112.5 | | |
| 395 | I | 41.8 | Very low | 42.1 | Very low | 151 Ų | 151 | 132.9 Ų | 132.9 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | | | trans | -77.4 | 162.1 | 176.9 | -28.3 | 179.7 | 0 | 0 | 0 | 110 | | |
| 396 | P | 48.2 | Very low | 42.9 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | | | | -143.9 | 145.7 | 111.6 | 36.5 | -23 | 0 | 0 | 0 | 115.8 | | |
| 397 | G | 34.2 | Very low | 42.8 | Very low | 65 Ų | 65 | 136.7 Ų | 136.7 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | | | trans | 88.1 | 158.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 398 | N | 34.7 | Very low | 43.2 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | | | cis | -153 | 158.8 | -4.6 | -159.6 | 23 | 0 | 0 | 0 | 113.9 | | |
| 399 | H | 47.1 | Very low | 43.1 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 68% | 0.681 | 79% | 0.793 | S | S | * | * | | | trans | 26.8 | 136.2 | 167.7 | -61.2 | -23.6 | 0 | 0 | 0 | 123.8 | | |
| 400 | H | 42.6 | Very low | 43.2 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | trans | -76 | 134.6 | 156.6 | -64.9 | -77.8 | 0 | 0 | 0 | 111.9 | | |
| 401 | H | 46.9 | Very low | 43.4 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | trans | -141.2 | 163.5 | 152.5 | -75.1 | -66.1 | 0 | 0 | 0 | 110.6 | | |
| 402 | G | 42.3 | Very low | 43.6 | Very low | 65 Ų | 65 | 133.1 Ų | 133.1 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | | | trans | -84.1 | -172.9 | -163.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 403 | P | 50.3 | Low | 43.8 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | trans | -79.7 | 139.5 | -174.1 | 32.3 | -34.9 | 0 | 0 | 0 | 113.1 | | |
| 404 | C | 41.5 | Very low | 43.9 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 89% | 0.885 | 77% | 0.768 | S | S | * | * | | | trans | -136.4 | 143.6 | 169.6 | -74.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 405 | D | 42.7 | Very low | 44.1 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | | | trans | -80 | 135.9 | -171.3 | -128.3 | -53.7 | 0 | 0 | 0 | 113.1 | H407 | D405-H407 PolarHBondContact O-N 3.32Š|
| 406 | P | 57.2 | Low | 44.2 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | | | trans | -92.9 | 75.2 | 177 | 36.3 | -34 | 0 | 0 | 0 | 112.4 | P408 | P406-P408 VanDerWaalsContact O-CD 3.27Å; P406-P408 WeakPolarHBondContact O-CD 3.5Å |
| 407 | H | 39.7 | Very low | 43.9 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | trans | -113.3 | 84.6 | 173.7 | -159.6 | -66.4 | 0 | 0 | 0 | 113.3 | D405 T409 | D405-H407 PolarHBondContact O-N 3.32Å; H407-T409 PolarHBondContact CE1-OG1 3.01Å; H407-T409 PolarHBondContact ND1-OG1 3.18Å; H407-T409 VanDerWaalsContact ND1-OG1 3.08Å; H407-T409 PolarHBondContact O-N 3.29Å |
| 408 | P | 56.5 | Low | 44.4 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | trans | -79.3 | 98.7 | 178.4 | 31.8 | -33.7 | 0 | 0 | 0 | 111.7 | P406 | P406-P408 VanDerWaalsContact O-CD 3.27Å; P406-P408 WeakPolarHBondContact O-CD 3.5Å |
| 409 | T | 41.2 | Very low | 44.7 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | | | trans | -90.9 | 108.9 | 175.1 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | H407 | H407-T409 PolarHBondContact CE1-OG1 3.01Å; H407-T409 PolarHBondContact ND1-OG1 3.18Å; H407-T409 VanDerWaalsContact ND1-OG1 3.08Å; H407-T409 PolarHBondContact O-N 3.29Å |
| 410 | Y | 39 | Very low | 44.6 | Very low | 190 Ų | 190 | 139.2 Ų | 139.2 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | | | trans | 60.6 | 128.3 | 151.6 | -158.6 | -95.1 | 0 | 0 | 0 | 120.2 | D412 | Y410-D412 HydrophobicContact CE1-CB 4.45Š|
| 411 | T | 50.2 | Low | 44.8 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | trans | -160.2 | 124.1 | 133.4 | -72.8 | 0 | 0 | 0 | 0 | 108.8 | L413 | T411-L413 HydrophobicContact CG2-CG 4.25Š|
| 412 | D | 43.8 | Very low | 44.2 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 58% | 0.583 | 79% | 0.787 | S | S | * | * | | | trans | -85.8 | 130.8 | 165.4 | -174.6 | -46.1 | 0 | 0 | 0 | 109.1 | Y410 S414 | Y410-D412 HydrophobicContact CE1-CB 4.45Å; D412-S414 PolarHBondContact OD1-N 3.12Å |
| 413 | L | 45.8 | Very low | 44.4 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -145.8 | 101.7 | 161.7 | -87.3 | -177.6 | 0 | 0 | 0 | 111.4 | T411 | T411-L413 HydrophobicContact CG2-CG 4.25Š|
| 414 | S | 40.3 | Very low | 44.3 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | -96.3 | 114 | 164.3 | -174.9 | 0 | 0 | 0 | 0 | 110.9 | D412 | D412-S414 PolarHBondContact OD1-N 3.12Š|
| 415 | A | 39.3 | Very low | 44.3 | Very low | 86 Ų | 86 | 141.1 Ų | 141.1 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | trans | -154.6 | 135.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 416 | H | 44.1 | Very low | 44.7 | Very low | 187 Ų | 187 | 137.7 Ų | 137.7 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | | | trans | -81.5 | 146.8 | 173.1 | -71.7 | -115.1 | 0 | 0 | 0 | 111.4 | | |
| 417 | H | 43.1 | Very low | 44.8 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | -149.5 | 144.4 | 143.1 | 51.4 | -94.9 | 0 | 0 | 0 | 110.6 | | |
| 418 | S | 43.6 | Very low | 45.2 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | trans | -121.9 | 135.7 | 177.5 | 48.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 419 | S | 41.7 | Very low | 45.1 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -149.3 | 144.4 | 170.9 | 55.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 420 | Q | 45.3 | Very low | 46.1 | Very low | 198 Ų | 198 | 141.4 Ų | 141.4 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | | | trans | -90.7 | 130.3 | -175.9 | -68.6 | -173.4 | -11 | 0 | 0 | 111.6 | | |
| 421 | G | 45.3 | Very low | 47.1 | Very low | 83 Ų | 83 | 139.6 Ų | 139.6 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | trans | -92 | 144.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 422 | R | 35.6 | Very low | 47.3 | Very low | 222 Ų | 222 | 145.5 Ų | 145.5 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | | | trans | -127.5 | 144.5 | -168.5 | -163.5 | -160 | -178 | -167.6 | 2.6 | 110.8 | | |
| 423 | L | 46.1 | Very low | 47.5 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 75% | 0.754 | 82% | 0.82 | S | S | * | * | | | trans | 74 | 161 | 171.5 | -45.5 | 179.2 | 0 | 0 | 0 | 116.2 | | |
| 424 | P | 47.7 | Very low | 47.5 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | | | cis | -117.6 | 159.7 | -9.1 | 17.9 | 4.7 | 0 | 0 | 0 | 114.9 | | |
| 425 | E | 41.1 | Very low | 47.9 | Very low | 160 Ų | 160 | 148.7 Ų | 148.7 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 146.2 | 170.5 | -177.4 | 178.1 | 158.7 | 0 | 0 | 111.1 | K428 | E425-K428 IonicContact OE1-NZ 3.75Š|
| 426 | A | 52.1 | Low | 48.5 | Very low | 79 Ų | 79 | 152.4 Ų | 152.4 | 65% | 0.653 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 137.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 427 | P | 58.6 | Low | 48.7 | Very low | 128 Ų | 128 | 150.3 Ų | 150.3 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 137.3 | -175.4 | 28 | -34.7 | 0 | 0 | 0 | 112.6 | | |
| 428 | K | 48 | Very low | 49.1 | Very low | 172 Ų | 172 | 148.4 Ų | 148.4 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 127.2 | 177.7 | -70.7 | 163.5 | -177.9 | 145.8 | 0 | 110.6 | E425 T430 | E425-K428 IonicContact OE1-NZ 3.75Å; K428-T430 PolarHBondContact O-N 3.2Å |
| 429 | L | 54.3 | Low | 49.5 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 81% | 0.812 | 82% | 0.824 | S | S | * | * | | | trans | -78.6 | 110.9 | 171.5 | -138.1 | 77.8 | 0 | 0 | 0 | 109.4 | | |
| 430 | T | 63.4 | Low | 50.1 | Low | 127 Ų | 127 | 152.9 Ų | 152.9 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | | | trans | -92.3 | 118.3 | 171.3 | 50.9 | 0 | 0 | 0 | 0 | 109.9 | K428 | K428-T430 PolarHBondContact O-N 3.2Š|
| 431 | H | 58.8 | Low | 50.5 | Low | 152 Ų | 152 | 149.2 Ų | 149.2 | 70% | 0.704 | 82% | 0.817 | S | S | * | * | | | trans | -131.2 | 112.3 | 167.3 | -83.1 | -85.7 | 0 | 0 | 0 | 110.5 | | |
| 432 | L | 54.8 | Low | 51 | Low | 245 Ų | 245 | 155.2 Ų | 155.2 | 100% | 1.283 | 81% | 0.813 | S | S | * | * | | | trans | 22.3 | 0 | 148.3 | -62.3 | 165.7 | 0 | 0 | 0 | 117.2 | | |