| 1 | M | 45 | Very low | 43.1 | Very low | 233 Ų | 233 | 157.4 Ų | 157.4 | 100% | 1.148 | 81% | 0.809 | S | S | * | * | | | | 0 | 92.4 | 0 | -68.9 | 151.8 | 143.4 | 0 | 0 | 106.3 | | |
| 2 | S | 35.8 | Very low | 43 | Very low | 107 Ų | 107 | 155.7 Ų | 155.7 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | | 94.6 | 111.7 | 63.8 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 3 | F | 38.7 | Very low | 42.2 | Very low | 209 Ų | 209 | 152.1 Ų | 152.1 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | | | trans | -54 | 150.4 | 170.2 | -73.9 | -89.7 | 0 | 0 | 0 | 111.8 | | |
| 4 | P | 56.4 | Low | 42 | Very low | 113 Ų | 113 | 147.1 Ų | 147.1 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | | -136.1 | 179 | 87.3 | 11 | 13.4 | 0 | 0 | 0 | 114.3 | | |
| 5 | Q | 43.1 | Very low | 41.7 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | cis | 176.1 | 149.2 | -29 | 171.1 | 164.5 | -20.3 | 0 | 0 | 110.9 | | |
| 6 | L | 49 | Very low | 41.4 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | trans | 67.6 | 150.6 | 171.8 | -71 | 157.5 | 0 | 0 | 0 | 117.9 | | |
| 7 | G | 35 | Very low | 41.3 | Very low | 66 Ų | 66 | 142.4 Ų | 142.4 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | | | cis | -168.4 | 160.6 | -2.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 8 | Y | 35 | Very low | 41.1 | Very low | 209 Ų | 209 | 140.4 Ų | 140.4 | 82% | 0.82 | 77% | 0.774 | S | S | * | * | | | trans | -81.6 | 160.5 | 179.9 | -80.2 | -89.2 | 0 | 0 | 0 | 112.6 | Q10 | Y8-Q10 HydrophobicContact CD1-CG 4Å; Y8-Q10 HydrophobicContact CG-CG 4.47Å |
| 9 | P | 56.4 | Low | 40.6 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | | -122 | 150 | 74.4 | 38 | -30.1 | 0 | 0 | 0 | 112.8 | | |
| 10 | Q | 38.5 | Very low | 40.2 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 57% | 0.57 | 77% | 0.773 | S | S | * | * | | | cis | 66.8 | 103.8 | 39.5 | -78.6 | -69.9 | -7.9 | 0 | 0 | 115.8 | Y8 | Y8-Q10 HydrophobicContact CD1-CG 4Å; Y8-Q10 HydrophobicContact CG-CG 4.47Å |
| 11 | Y | 41 | Very low | 39.7 | Very low | 226 Ų | 226 | 139.3 Ų | 139.3 | 89% | 0.886 | 77% | 0.771 | S | S | * | * | | | | -160.2 | 166.5 | 121 | -111 | -73.5 | 0 | 0 | 0 | 111.4 | | |
| 12 | L | 42 | Very low | 39.1 | Very low | 137 Ų | 137 | 136 Ų | 136 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | | | trans | -96.4 | 150.5 | -161.9 | -72.9 | 60.3 | 0 | 0 | 0 | 113.8 | | |
| 13 | S | 33.3 | Very low | 39.1 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | | 160.4 | 120.8 | 115.5 | -160.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 14 | A | 38.8 | Very low | 39.5 | Very low | 82 Ų | 82 | 137.7 Ų | 137.7 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | | | cis | 70.1 | 128 | 47.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 15 | S | 37.8 | Very low | 38.4 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | | | cis | -157.4 | 159.7 | 8.3 | -67.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 16 | Q | 37.5 | Very low | 38 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | | | trans | 51.5 | 161.9 | 138.5 | -68.5 | 168.2 | -55.2 | 0 | 0 | 119.9 | | |
| 17 | A | 39.2 | Very low | 37.3 | Very low | 90 Ų | 90 | 134.6 Ų | 134.6 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | | | cis | -158.4 | 177.7 | 15.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 18 | V | 37 | Very low | 37.4 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 65% | 0.648 | 76% | 0.761 | S | S | * | * | | | cis | -173.3 | 135.6 | -24.8 | 130.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 19 | Y | 32.2 | Very low | 38 | Very low | 235 Ų | 235 | 132.7 Ų | 132.7 | 92% | 0.922 | 76% | 0.757 | S | S | * | * | | | trans | 54.8 | 156.1 | 166.3 | -85.7 | -119.3 | 0 | 0 | 0 | 118.5 | | |
| 20 | G | 32.2 | Very low | 37 | Very low | 59 Ų | 59 | 132.2 Ų | 132.2 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | | | cis | 169.4 | 170.2 | -3.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 21 | S | 31 | Very low | 36.7 | Very low | 105 Ų | 105 | 132 Ų | 132 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | 24.5 | 132.7 | 158.1 | -84.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 22 | E | 32.3 | Very low | 36.4 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | cis | -151.8 | 176.5 | 38.9 | -92.9 | -47 | 134.7 | 0 | 0 | 114.5 | | |
| 23 | R | 34.9 | Very low | 35.8 | Very low | 226 Ų | 226 | 129.9 Ų | 129.9 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -119.3 | -179.6 | 164.9 | -104 | -171.6 | 178 | -151.5 | 2.5 | 109.4 | | |
| 24 | P | 47.2 | Very low | 35.7 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | | | cis | -124.9 | -178 | -38.1 | 38.1 | -23.1 | 0 | 0 | 0 | 111.4 | | |
| 25 | G | 33 | Very low | 35.7 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | | | trans | -168.2 | 143.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 26 | V | 35.3 | Very low | 35.7 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | trans | -135.3 | 135.8 | -178.6 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 27 | L | 34.4 | Very low | 35.7 | Very low | 163 Ų | 163 | 131 Ų | 131 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | | | trans | 164.4 | 160.1 | 134.2 | -88.2 | 170.4 | 0 | 0 | 0 | 113.4 | | |
| 28 | T | 36.1 | Very low | 35.7 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | -109.4 | -178.7 | 176.9 | 49.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 29 | P | 48.6 | Very low | 35.3 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | | | cis | -135.9 | 179.3 | -40.9 | 35.1 | -17.6 | 0 | 0 | 0 | 114.4 | | |
| 30 | S | 33.9 | Very low | 35.3 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | 68.5 | 114.1 | 144.5 | -161.2 | 0 | 0 | 0 | 0 | 122.8 | | |
| 31 | S | 33.1 | Very low | 35.5 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | 170.2 | 161.3 | 149.2 | -83.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 32 | R | 34 | Very low | 36.5 | Very low | 242 Ų | 242 | 129 Ų | 129 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | | | cis | 178.3 | 130.7 | -24.1 | 164.5 | -177.1 | 158.8 | 174.3 | -4.8 | 108.8 | | |
| 33 | G | 30.3 | Very low | 36.7 | Very low | 77 Ų | 77 | 126.5 Ų | 126.5 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | 100.9 | 162.7 | 150.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 34 | G | 31.7 | Very low | 36.8 | Very low | 73 Ų | 73 | 120.2 Ų | 120.2 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | trans | 83.4 | 122.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 35 | T | 37.1 | Very low | 36.4 | Very low | 131 Ų | 131 | 120.8 Ų | 120.8 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | cis | 72.9 | 96.9 | 3.5 | -156.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 36 | T | 39.1 | Very low | 36.7 | Very low | 132 Ų | 132 | 121.9 Ų | 121.9 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | | | trans | -175.2 | 127.7 | 140.6 | 34.1 | 0 | 0 | 0 | 0 | 106.3 | | |
| 37 | E | 38.1 | Very low | 36.8 | Very low | 151 Ų | 151 | 120.1 Ų | 120.1 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | | 80 | 109.4 | 56.1 | -69.4 | -65.9 | 162.5 | 0 | 0 | 114.9 | | |
| 38 | I | 38.1 | Very low | 37.2 | Very low | 166 Ų | 166 | 116.7 Ų | 116.7 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | 64.5 | 140.5 | 156.3 | -53.3 | 162.7 | 0 | 0 | 0 | 116.3 | | |
| 39 | G | 29.8 | Very low | 37.6 | Very low | 73 Ų | 73 | 117.1 Ų | 117.1 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | cis | 157.8 | 156 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 40 | G | 30.4 | Very low | 37.2 | Very low | 76 Ų | 76 | 117.2 Ų | 117.2 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | trans | 160.5 | 136.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 41 | S | 36.8 | Very low | 37.6 | Very low | 120 Ų | 120 | 117 Ų | 117 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | | | trans | -163.8 | 167.6 | 167.8 | -77.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 42 | P | 53.5 | Low | 38 | Very low | 117 Ų | 117 | 117.8 Ų | 117.8 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | | | cis | -138.3 | 178.1 | 11.6 | 43.6 | -26.7 | 0 | 0 | 0 | 116.6 | | |
| 43 | S | 36 | Very low | 38.3 | Very low | 113 Ų | 113 | 114.2 Ų | 114.2 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | 54.1 | 118.7 | 138 | 176.3 | 0 | 0 | 0 | 0 | 122 | | |
| 44 | A | 37.4 | Very low | 38.8 | Very low | 93 Ų | 93 | 113.8 Ų | 113.8 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -143.3 | 130.3 | 137.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 45 | T | 38 | Very low | 39.7 | Very low | 136 Ų | 136 | 118.9 Ų | 118.9 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | | | trans | -0 | 146.9 | 156.5 | 55.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 46 | A | 40.1 | Very low | 40.2 | Very low | 99 Ų | 99 | 123.7 Ų | 123.7 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | cis | -152.3 | 162.5 | 31.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 47 | A | 36.2 | Very low | 40.3 | Very low | 98 Ų | 98 | 121.6 Ų | 121.6 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | trans | -77.3 | 167.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 48 | A | 44.1 | Very low | 40.5 | Very low | 90 Ų | 90 | 120.8 Ų | 120.8 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | | | cis | -162.5 | -164.8 | -19.8 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 49 | V | 42.5 | Very low | 41 | Very low | 131 Ų | 131 | 118.5 Ų | 118.5 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | cis | -144.5 | -166.5 | 20.7 | -74.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 50 | T | 40.4 | Very low | 41.8 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | | | cis | -156 | 149.2 | 19.7 | -93.6 | 0 | 0 | 0 | 0 | 109 | | |
| 51 | S | 43.1 | Very low | 42.7 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | | | trans | 6 | 146.4 | 149.1 | -55 | 0 | 0 | 0 | 0 | 121.3 | | |
| 52 | V | 40.9 | Very low | 43.5 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | | | cis | -169.1 | 176.4 | -11.2 | 82.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 53 | L | 39.9 | Very low | 43.2 | Very low | 168 Ų | 168 | 130 Ų | 130 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | | | trans | 71.5 | 94.5 | 167.1 | -132.1 | 68.6 | 0 | 0 | 0 | 117.6 | | |
| 54 | G | 42.8 | Very low | 43.6 | Very low | 67 Ų | 67 | 135.5 Ų | 135.5 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | trans | -163.4 | 16.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y56 | G54-Y56 PolarHBondContact O-N 3.29Š|
| 55 | M | 49.2 | Very low | 44.2 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 89% | 0.892 | 80% | 0.797 | S | S | * | * | | | trans | -83.5 | 79.3 | -171 | -73.4 | 158 | 53.7 | 0 | 0 | 112.3 | | |
| 56 | Y | 47.4 | Very low | 44.7 | Very low | 231 Ų | 231 | 134.2 Ų | 134.2 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | | | trans | -176.6 | 78.8 | 141.2 | -103.7 | -67.2 | 0 | 0 | 0 | 109.9 | G54 | G54-Y56 PolarHBondContact O-N 3.29Š|
| 57 | A | 42.1 | Very low | 45.1 | Very low | 89 Ų | 89 | 139 Ų | 139 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | trans | -117.6 | 128.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 58 | N | 41.3 | Very low | 46 | Very low | 133 Ų | 133 | 141 Ų | 141 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -69.2 | 126.9 | -177 | -81 | 4.7 | 0 | 0 | 0 | 111.4 | Y60 | N58-Y60 PolarHBondContact O-N 3.27Š|
| 59 | P | 48.3 | Very low | 46.3 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 18.9 | -179.3 | 32.4 | -36.9 | 0 | 0 | 0 | 114.6 | | |
| 60 | Y | 46.7 | Very low | 46.6 | Very low | 220 Ų | 220 | 145 Ų | 145 | 86% | 0.863 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.1 | 26.6 | -171.5 | -82.1 | -73.2 | 0 | 0 | 0 | 113.7 | N58 | N58-Y60 PolarHBondContact O-N 3.27Š|
| 61 | A | 50.8 | Low | 47.4 | Very low | 78 Ų | 78 | 144.2 Ų | 144.2 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | | | trans | -121.7 | 28.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 62 | H | 52.3 | Low | 48 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | trans | -126.3 | 140 | 171.9 | -61 | -42.8 | 0 | 0 | 0 | 110.5 | | |
| 63 | N | 47.3 | Very low | 48.8 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 125 | 6.4 | 171.4 | -65.2 | -26.6 | 0 | 0 | 0 | 118.1 | | |
| 64 | Y | 45.5 | Very low | 49.5 | Very low | 229 Ų | 229 | 136.8 Ų | 136.8 | 90% | 0.898 | 75% | 0.749 | S | S | * | * | | | trans | -113.3 | -0.2 | 176.9 | -88.8 | -77.4 | 0 | 0 | 0 | 116.9 | A66 | Y64-A66 VanDerWaalsContact C-N 3.33Å; Y64-A66 PolarHBondContact O-N 2.6Å |
| 65 | S | 49.2 | Very low | 50.2 | Low | 121 Ų | 121 | 139.5 Ų | 139.5 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 16.3 | -177.1 | -47.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 66 | A | 48.9 | Very low | 50.5 | Low | 81 Ų | 81 | 133.9 Ų | 133.9 | 67% | 0.669 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -6.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y64 | Y64-A66 VanDerWaalsContact C-N 3.33Å; Y64-A66 PolarHBondContact O-N 2.6Å |
| 67 | F | 49.1 | Very low | 51 | Low | 200 Ų | 200 | 128 Ų | 128 | 88% | 0.877 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -131.2 | 32.6 | -170.8 | -76.1 | -77.3 | 0 | 0 | 0 | 114.3 | | |
| 68 | L | 55.3 | Low | 51.5 | Low | 140 Ų | 140 | 131.5 Ų | 131.5 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | | | trans | -114.7 | 130.3 | 167.4 | -64.4 | 178.3 | 0 | 0 | 0 | 109.5 | Y70 | L68-Y70 PolarHBondContact O-N 3.29Š|
| 69 | P | 50.3 | Low | 52.1 | Low | 130 Ų | 130 | 129.3 Ų | 129.3 | 84% | 0.844 | 71% | 0.707 | S | S | * | * | | | trans | -78.6 | 26.1 | -179.2 | 34.9 | -37.6 | 0 | 0 | 0 | 113 | | |
| 70 | Y | 47.2 | Very low | 52.2 | Low | 175 Ų | 175 | 131 Ų | 131 | 69% | 0.686 | 70% | 0.704 | S | S | * | * | | | trans | -97.2 | 119.5 | -179.4 | -117.2 | -110.6 | 0 | 0 | 0 | 109.8 | L68 D74 | L68-Y70 PolarHBondContact O-N 3.29Å; Y70-D74 HydrophobicContact CD1-CB 3.88Å; Y70-D74 HydrophobicContact CE1-CB 3.68Å; Y70-D74 WeakPolarHBondContact CE1-OD2 3.49Å |
| 71 | T | 57.7 | Low | 52.4 | Low | 99 Ų | 99 | 127.5 Ų | 127.5 | 61% | 0.607 | 70% | 0.698 | S | S | * | * | | | trans | -77.1 | 153.5 | -178.9 | 65.8 | 0 | 0 | 0 | 0 | 110.6 | A73 D74 | T71-A73 PolarHBondContact O-N 3.12Å; T71-D74 PolarHBondContact O-N 3.46Å |
| 72 | S | 56.5 | Low | 52.3 | Low | 111 Ų | 111 | 126.9 Ų | 126.9 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -61.9 | -15.5 | -177.6 | 48.4 | 0 | 0 | 0 | 0 | 114.5 | A76 | S72-A76 PolarHBondContact O-N 3.31Å |
| 73 | A | 57.4 | Low | 52.1 | Low | 67 Ų | 67 | 123.1 Ų | 123.1 | 55% | 0.554 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -65.2 | -39.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T71 L75 A76 L77 | T71-A73 PolarHBondContact O-N 3.12Å; A73-L75 VanDerWaalsContact C-N 3.33Å; A73-L75 PolarHBondContact O-N 3.46Å; A73-A76 WeakPolarHBondContact O-CB 3.37Å; A73-A76 PolarHBondContact O-N 3.44Å; A73-L77 PolarHBondContact O-N 3.13Å |
| 74 | D | 55.4 | Low | 52 | Low | 73 Ų | 73 | 123.3 Ų | 123.3 | 39% | 0.39 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -70.4 | -32.2 | -177.3 | -119.2 | -33 | 0 | 0 | 0 | 112 | Y70 T71 A76 L77 F78 | Y70-D74 HydrophobicContact CD1-CB 3.88Å; Y70-D74 HydrophobicContact CE1-CB 3.68Å; Y70-D74 WeakPolarHBondContact CE1-OD2 3.49Å; T71-D74 PolarHBondContact O-N 3.46Å; D74-A76 VanDerWaalsContact C-N 3.3Å; D74-A76 PolarHBondContact O-N 3.41Å; D74-L77 PolarHBondContact O-N 3.23Å; D74-F78 PolarHBondContact O-N 2.87Å |
| 75 | L | 56.6 | Low | 51.7 | Low | 125 Ų | 125 | 123.5 Ų | 123.5 | 65% | 0.654 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -70.5 | -27.6 | 176.2 | -165.8 | 64.1 | 0 | 0 | 0 | 112.4 | A73 S79 | A73-L75 VanDerWaalsContact C-N 3.33Å; A73-L75 PolarHBondContact O-N 3.46Å; L75-S79 PolarHBondContact O-N 3.39Å; L75-S79 PolarHBondContact O-OG 3.41Å |
| 76 | A | 56.4 | Low | 51.2 | Low | 63 Ų | 63 | 125.2 Ų | 125.2 | 52% | 0.521 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -69.6 | -40.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S72 A73 D74 F78 S79 Q80 | S72-A76 PolarHBondContact O-N 3.31Å; A73-A76 WeakPolarHBondContact O-CB 3.37Å; A73-A76 PolarHBondContact O-N 3.44Å; D74-A76 VanDerWaalsContact C-N 3.3Å; D74-A76 PolarHBondContact O-N 3.41Å; A76-F78 VanDerWaalsContact C-N 3.34Å; A76-F78 PolarHBondContact O-N 3.3Å; A76-S79 WeakPolarHBondContact O-CB 3.32Å; A76-S79 PolarHBondContact O-N 3.5Å; A76-Q80 PolarHBondContact O-N 3.33Å |
| 77 | L | 56 | Low | 51.5 | Low | 108 Ų | 108 | 129.2 Ų | 129.2 | 57% | 0.565 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -62.8 | -40.1 | 174.8 | -177.4 | 60 | 0 | 0 | 0 | 111.9 | A73 D74 S79 Q80 | A73-L77 PolarHBondContact O-N 3.13Å; D74-L77 PolarHBondContact O-N 3.23Å; L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 PolarHBondContact O-N 3.42Å; L77-Q80 WeakPolarHBondContact O-CB 3.36Å; L77-Q80 PolarHBondContact O-N 2.95Å |
| 78 | F | 52.9 | Low | 51.2 | Low | 161 Ų | 161 | 127.6 Ų | 127.6 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -61.5 | -36.1 | 174.4 | -165.6 | -100.2 | 0 | 0 | 0 | 112.7 | D74 A76 M81 | D74-F78 PolarHBondContact O-N 2.87Å; A76-F78 VanDerWaalsContact C-N 3.34Å; A76-F78 PolarHBondContact O-N 3.3Å; F78-M81 PolarHBondContact O-N 2.58Å |
| 79 | S | 53.8 | Low | 50.4 | Low | 87 Ų | 87 | 127.9 Ų | 127.9 | 61% | 0.608 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -69.2 | -34 | 178.1 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | L75 A76 L77 M81 G82 | L75-S79 PolarHBondContact O-N 3.39Å; L75-S79 PolarHBondContact O-OG 3.41Å; A76-S79 WeakPolarHBondContact O-CB 3.32Å; A76-S79 PolarHBondContact O-N 3.5Å; L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 PolarHBondContact O-N 3.42Å; S79-M81 PolarHBondContact O-N 3.01Å; S79-G82 PolarHBondContact O-N 3.4Å |
| 80 | Q | 52 | Low | 49.7 | Very low | 154 Ų | 154 | 127.2 Ų | 127.2 | 72% | 0.72 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -63.3 | -25.2 | 178 | -165.4 | 69.3 | 12.8 | 0 | 0 | 112.9 | A76 L77 | A76-Q80 PolarHBondContact O-N 3.33Å; L77-Q80 WeakPolarHBondContact O-CB 3.36Å; L77-Q80 PolarHBondContact O-N 2.95Å |
| 81 | M | 49.2 | Very low | 49.8 | Very low | 148 Ų | 148 | 125.3 Ų | 125.3 | 73% | 0.729 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -3.4 | -179.1 | -63.1 | -70.9 | -77 | 0 | 0 | 113.7 | F78 S79 S83 | F78-M81 PolarHBondContact O-N 2.58Å; S79-M81 PolarHBondContact O-N 3.01Å; M81-S83 VanDerWaalsContact C-N 3.33Å; M81-S83 PolarHBondContact O-N 2.89Å |
| 82 | G | 50.4 | Low | 48.9 | Very low | 64 Ų | 64 | 123.9 Ų | 123.9 | 66% | 0.66 | 70% | 0.7 | S | S | * | * | | | trans | -76.2 | -5.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | S79 | S79-G82 PolarHBondContact O-N 3.4Š|
| 83 | S | 46.6 | Very low | 48.5 | Very low | 95 Ų | 95 | 125.2 Ų | 125.2 | 66% | 0.664 | 70% | 0.703 | S | S | * | * | | | trans | -98.4 | 25.9 | -168.5 | 57.1 | 0 | 0 | 0 | 0 | 115.2 | M81 | M81-S83 VanDerWaalsContact C-N 3.33Å; M81-S83 PolarHBondContact O-N 2.89Å |
| 84 | Q | 45.8 | Very low | 47.9 | Very low | 158 Ų | 158 | 131 Ų | 131 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | | | trans | -124.4 | 45 | -178 | -74.3 | -65.4 | -83.4 | 0 | 0 | 114.5 | | |
| 85 | Y | 39.3 | Very low | 47.4 | Very low | 233 Ų | 233 | 133 Ų | 133 | 91% | 0.914 | 74% | 0.735 | S | S | * | * | | | trans | -136.3 | 58.1 | 162.1 | -76 | -77 | 0 | 0 | 0 | 111.3 | L87 | Y85-L87 PolarHBondContact O-N 2.82Š|
| 86 | E | 39.1 | Very low | 47.1 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | | | trans | -70.9 | 121.7 | 158.2 | -170.8 | -174 | 141.9 | 0 | 0 | 108.2 | K88 | E86-K88 PolarHBondContact O-N 2.95Š|
| 87 | L | 54.7 | Low | 46.7 | Very low | 165 Ų | 165 | 135.2 Ų | 135.2 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | | | trans | -77 | 105.5 | -177.3 | -167.5 | 74.5 | 0 | 0 | 0 | 110 | Y85 | Y85-L87 PolarHBondContact O-N 2.82Š|
| 88 | K | 42.6 | Very low | 46.1 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | trans | -137.1 | 107.8 | -176.8 | -157.9 | 74.8 | 168.6 | -158.6 | 0 | 113.5 | E86 S90 | E86-K88 PolarHBondContact O-N 2.95Å; K88-S90 PolarHBondContact O-N 3.29Å |
| 89 | D | 37.9 | Very low | 45.8 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | | | trans | -69.1 | 115.2 | 173.9 | -58.3 | -99.9 | 0 | 0 | 0 | 112.7 | | |
| 90 | S | 35.5 | Very low | 45.3 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | | | trans | -175.9 | 147 | 140.9 | -83.2 | 0 | 0 | 0 | 0 | 112 | K88 | K88-S90 PolarHBondContact O-N 3.29Š|
| 91 | P | 50.9 | Low | 44.9 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | | | trans | -91.4 | 129.6 | -177 | 34.1 | -32.8 | 0 | 0 | 0 | 113.3 | | |
| 92 | G | 38.6 | Very low | 44.7 | Very low | 68 Ų | 68 | 135.3 Ų | 135.3 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | trans | 172.5 | 111.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 93 | V | 46.8 | Very low | 44.4 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | | | trans | 47.2 | 98.5 | 153.6 | -168.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 94 | H | 44.8 | Very low | 44.5 | Very low | 189 Ų | 189 | 138.6 Ų | 138.6 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | | | trans | -82.9 | 132 | 157.1 | -66.8 | -69.8 | 0 | 0 | 0 | 110.6 | | |
| 95 | P | 45.9 | Very low | 44.6 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | | | trans | -76 | 136.1 | 172.9 | 30.8 | -33.5 | 0 | 0 | 0 | 111.4 | T97 | P95-T97 PolarHBondContact O-N 3.4Š|
| 96 | A | 50 | Low | 45.1 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | | | trans | -81.1 | 78.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 97 | T | 48.3 | Very low | 45.8 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | -144.6 | 90.1 | 173.7 | -73.8 | 0 | 0 | 0 | 0 | 111.6 | P95 | P95-T97 PolarHBondContact O-N 3.4Š|
| 98 | F | 43.2 | Very low | 45.8 | Very low | 181 Ų | 181 | 130.6 Ų | 130.6 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | | | | -169.2 | 64.8 | 129.6 | -153.9 | -104.9 | 0 | 0 | 0 | 111.4 | A100 | F98-A100 VanDerWaalsContact C-N 3.34Å; F98-A100 HydrophobicContact CD1-CB 4.01Å; F98-A100 HydrophobicContact CE1-CB 3.63Å; F98-A100 HydrophobicContact CZ-CB 3.99Å; F98-A100 PolarHBondContact O-N 3.21Å; F98-A100 VanDerWaalsContact O-N 3.08Å |
| 99 | A | 47.2 | Very low | 46.2 | Very low | 113 Ų | 113 | 133 Ų | 133 | 93% | 0.934 | 77% | 0.774 | S | S | * | * | | | trans | -83.7 | 73.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 100 | A | 42.2 | Very low | 46.7 | Very low | 46 Ų | 46 | 129 Ų | 129 | 38% | 0.38 | 77% | 0.768 | S | S | . | * | | | trans | -132.4 | 103.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F98 T102 | F98-A100 VanDerWaalsContact C-N 3.34Å; F98-A100 HydrophobicContact CD1-CB 4.01Å; F98-A100 HydrophobicContact CE1-CB 3.63Å; F98-A100 HydrophobicContact CZ-CB 3.99Å; F98-A100 PolarHBondContact O-N 3.21Å; F98-A100 VanDerWaalsContact O-N 3.08Å; A100-T102 PolarHBondContact O-N 3.35Å |
| 101 | H | 43.9 | Very low | 47.2 | Very low | 183 Ų | 183 | 131.3 Ų | 131.3 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | | | trans | 52.2 | 60.3 | 152 | -44 | -65 | 0 | 0 | 0 | 118.5 | | |
| 102 | T | 45.5 | Very low | 47 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | | | trans | -83.2 | 111.6 | 146.6 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | A100 | A100-T102 PolarHBondContact O-N 3.35Š|
| 103 | S | 42.9 | Very low | 47.4 | Very low | 96 Ų | 96 | 137 Ų | 137 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | | | trans | -67.3 | 137.2 | 175.2 | -69.4 | 0 | 0 | 0 | 0 | 110 | A105 | S103-A105 PolarHBondContact O-N 3.26Š|
| 104 | P | 50.3 | Low | 47.4 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | | | trans | -61.4 | 100.9 | 170.8 | -20.9 | 33 | 0 | 0 | 0 | 110 | F106 | P104-F106 PolarHBondContact O-N 3.48Å; P104-F106 VanDerWaalsContact O-N 3.12Å |
| 105 | A | 47.7 | Very low | 47.5 | Very low | 65 Ų | 65 | 133.9 Ų | 133.9 | 54% | 0.537 | 75% | 0.747 | S | S | . | * | | | trans | -63.4 | 115.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | S103 Y107 | S103-A105 PolarHBondContact O-N 3.26Å; A105-Y107 HydrophobicContact CB-CD2 3.68Å; A105-Y107 HydrophobicContact CB-CE2 3.45Å; A105-Y107 VanDerWaalsContact CB-CE2 3.45Å; A105-Y107 PolarHBondContact O-N 2.91Å |
| 106 | F | 48.9 | Very low | 47.5 | Very low | 192 Ų | 192 | 132.9 Ų | 132.9 | 84% | 0.842 | 74% | 0.736 | S | S | * | * | | | trans | -71.2 | 78.4 | -178.3 | -176.6 | -98.9 | 0 | 0 | 0 | 110.2 | P104 P108 | P104-F106 PolarHBondContact O-N 3.48Å; P104-F106 VanDerWaalsContact O-N 3.12Å; F106-P108 WeakPolarHBondContact O-CD 3.17Å |
| 107 | Y | 54.3 | Low | 47.9 | Very low | 181 Ų | 181 | 133.9 Ų | 133.9 | 71% | 0.71 | 73% | 0.733 | S | S | * | * | | | trans | -89.6 | 103.2 | 171.4 | -74.5 | -72.6 | 0 | 0 | 0 | 109.2 | A105 Y109 G110 | A105-Y107 HydrophobicContact CB-CD2 3.68Å; A105-Y107 HydrophobicContact CB-CE2 3.45Å; A105-Y107 VanDerWaalsContact CB-CE2 3.45Å; A105-Y107 PolarHBondContact O-N 2.91Å; Y107-Y109 PolarHBondContact O-N 3.05Å; Y107-G110 PolarHBondContact O-N 3.44Å |
| 108 | P | 54.8 | Low | 48.2 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 1.8 | -176.5 | 27.8 | -36.5 | 0 | 0 | 0 | 114.8 | F106 | F106-P108 WeakPolarHBondContact O-CD 3.17Š|
| 109 | Y | 49.9 | Very low | 48.8 | Very low | 216 Ų | 216 | 130.6 Ų | 130.6 | 85% | 0.847 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | -6.1 | 175.8 | -98.7 | -92.3 | 0 | 0 | 0 | 114.6 | Y107 | Y107-Y109 PolarHBondContact O-N 3.05Š|
| 110 | G | 49.9 | Very low | 49.1 | Very low | 62 Ų | 62 | 130.2 Ų | 130.2 | 64% | 0.639 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -26.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y107 F112 | Y107-G110 PolarHBondContact O-N 3.44Å; G110-F112 PolarHBondContact O-N 3.39Å |
| 111 | Q | 44.7 | Very low | 50.2 | Low | 166 Ų | 166 | 133.2 Ų | 133.2 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | | | trans | -104.9 | 52.5 | -159.2 | -156.4 | 171.1 | -85.9 | 0 | 0 | 114.7 | Q113 | Q111-Q113 PolarHBondContact O-N 3.14Š|
| 112 | F | 46.3 | Very low | 50.9 | Low | 168 Ų | 168 | 130.9 Ų | 130.9 | 74% | 0.737 | 71% | 0.705 | S | S | * | * | | | trans | -65.8 | 126.6 | 159.1 | -85.9 | -87.1 | 0 | 0 | 0 | 109.4 | G110 Y114 | G110-F112 PolarHBondContact O-N 3.39Å; F112-Y114 PolarHBondContact O-N 3.02Å |
| 113 | Q | 46.9 | Very low | 52 | Low | 155 Ų | 155 | 126.8 Ų | 126.8 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | | | trans | -63.1 | 89.9 | 176.8 | -76 | 82.8 | 0.5 | 0 | 0 | 112.5 | Q111 G115 | Q111-Q113 PolarHBondContact O-N 3.14Å; Q113-G115 PolarHBondContact O-N 2.84Å; Q113-G115 VanDerWaalsContact O-N 3.11Å |
| 114 | Y | 47.3 | Very low | 53.7 | Low | 196 Ų | 196 | 126.3 Ų | 126.3 | 77% | 0.769 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 63.5 | 158.6 | -89.8 | -90.4 | 0 | 0 | 0 | 109.8 | F112 K121 | F112-Y114 PolarHBondContact O-N 3.02Å; Y114-K121 HydrophobicContact CD1-CD 4.4Å; Y114-K121 HydrophobicContact CE1-CD 3.79Å |
| 115 | G | 47.7 | Very low | 55.2 | Low | 66 Ų | 66 | 129.3 Ų | 129.3 | 68% | 0.68 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.9 | 3.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q113 P117 | Q113-G115 PolarHBondContact O-N 2.84Å; Q113-G115 VanDerWaalsContact O-N 3.11Å; G115-P117 WeakPolarHBondContact O-CD 3.21Å |
| 116 | D | 44.9 | Very low | 57 | Low | 94 Ų | 94 | 131.2 Ų | 131.2 | 50% | 0.503 | 67% | 0.671 | S | S | . | * | | | trans | -99.5 | 107.4 | 174.4 | 176.3 | 23.5 | 0 | 0 | 0 | 111.1 | A118 | D116-A118 VanDerWaalsContact C-N 3.3Å; D116-A118 WeakPolarHBondContact OD1-CA 3.34Å; D116-A118 WeakPolarHBondContact OD1-CB 3.33Å; D116-A118 PolarHBondContact OD1-N 3.29Å |
| 117 | P | 59.2 | Low | 59 | Low | 128 Ų | 128 | 122.4 Ų | 122.4 | 83% | 0.831 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -11.9 | 174.5 | 32.9 | -35.4 | 0 | 0 | 0 | 113.5 | G115 R119 | G115-P117 WeakPolarHBondContact O-CD 3.21Å; P117-R119 PolarHBondContact O-N 2.96Å |
| 118 | A | 54.9 | Low | 60.8 | Low | 84 Ų | 84 | 115.2 Ų | 115.2 | 69% | 0.694 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -9.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D116 P120 | D116-A118 VanDerWaalsContact C-N 3.3Å; D116-A118 WeakPolarHBondContact OD1-CA 3.34Å; D116-A118 WeakPolarHBondContact OD1-CB 3.33Å; D116-A118 PolarHBondContact OD1-N 3.29Å; A118-P120 WeakPolarHBondContact O-CD 3.38Å |
| 119 | R | 54.7 | Low | 62.8 | Low | 154 Ų | 154 | 113 Ų | 113 | 58% | 0.581 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -111.6 | 96.8 | 178.4 | -162.8 | -173.7 | -162.5 | -64 | 1.6 | 112.3 | P117 K121 | P117-R119 PolarHBondContact O-N 2.96Å; R119-K121 PolarHBondContact O-N 3.37Å; R119-K121 VanDerWaalsContact O-N 3.14Å |
| 120 | P | 54.6 | Low | 65 | Low | 106 Ų | 106 | 104.8 Ų | 104.8 | 69% | 0.688 | 57% | 0.567 | S | S | * | * | | | trans | -54.8 | 119.7 | 171.9 | -25.7 | 34.5 | 0 | 0 | 0 | 111.5 | A118 | A118-P120 WeakPolarHBondContact O-CD 3.38Š|
| 121 | K | 64 | Low | 67.2 | Low | 109 Ų | 109 | 101.8 Ų | 101.8 | 47% | 0.474 | 54% | 0.537 | S | S | . | . | | | trans | -101.7 | 9.2 | 176.8 | -63.9 | -173.8 | -174 | 177.7 | 0 | 112.5 | Y114 R119 | Y114-K121 HydrophobicContact CD1-CD 4.4Å; Y114-K121 HydrophobicContact CE1-CD 3.79Å; R119-K121 PolarHBondContact O-N 3.37Å; R119-K121 VanDerWaalsContact O-N 3.14Å |
| 122 | N | 59.5 | Low | 69.7 | Low | 133 Ų | 133 | 99.9 Ų | 99.9 | 71% | 0.711 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -124.4 | 124.1 | -172.6 | -39.8 | 82.2 | 0 | 0 | 0 | 108.4 | | |
| 123 | A | 67.8 | Low | 72 | Confident | 52 Ų | 52 | 94.9 Ų | 94.9 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | | | trans | -62.3 | 138.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | M158 | A123-M158 HydrophobicContact CB-CE 4.34Å; A123-M158 HydrophobicContact CB-SD 3.99Å |
| 124 | T | 79.3 | Confident | 74.4 | Confident | 86 Ų | 86 | 88 Ų | 88 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | | | trans | -68.9 | 156.7 | -178.3 | 68.5 | 0 | 0 | 0 | 0 | 110.1 | E126 S127 T128 | T124-E126 PolarHBondContact O-N 3.39Å; T124-S127 PolarHBondContact N-OG 2.98Å; T124-S127 PolarHBondContact O-N 3.21Å; T124-S127 PolarHBondContact O-OG 3.41Å; T124-S127 VanDerWaalsContact OG1-CB 3.31Å; T124-S127 WeakPolarHBondContact OG1-CB 3.46Å; T124-S127 PolarHBondContact OG1-N 3.36Å; T124-S127 PolarHBondContact OG1-OG 3.24Å; T124-T128 WeakPolarHBondContact O-CB 3.43Å; T124-T128 PolarHBondContact O-N 3.43Å; T124-T128 PolarHBondContact O-OG1 3.47Å |
| 125 | R | 82.8 | Confident | 76.8 | Confident | 194 Ų | 194 | 79.7 Ų | 79.7 | 73% | 0.732 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -55.5 | -41.3 | 175.9 | -177.9 | -176.3 | 172.9 | -80.3 | 4.6 | 110.9 | T128 S129 | R125-T128 PolarHBondContact O-N 3.07Å; R125-S129 PolarHBondContact O-N 2.96Å |
| 126 | E | 84.2 | Confident | 79 | Confident | 106 Ų | 106 | 82.2 Ų | 82.2 | 50% | 0.495 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -74 | -40 | -178.5 | -49.5 | -39.5 | 116.8 | 0 | 0 | 112.3 | T124 T128 S129 T130 | T124-E126 PolarHBondContact O-N 3.39Å; E126-T128 VanDerWaalsContact C-N 3.26Å; E126-T128 PolarHBondContact O-N 3.33Å; E126-S129 WeakPolarHBondContact O-CA 3.44Å; E126-S129 WeakPolarHBondContact O-CB 3.35Å; E126-S129 PolarHBondContact O-N 3.09Å; E126-T130 PolarHBondContact O-N 3.3Å; E126-T130 PolarHBondContact O-OG1 2.71Å |
| 127 | S | 90.9 | Very high | 81.4 | Confident | 7 Ų | 7 | 84.5 Ų | 84.5 | 5% | 0.049 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -62.7 | -37.1 | 173.6 | 82.7 | 0 | 0 | 0 | 0 | 111.6 | T124 S129 L131 T156 | T124-S127 PolarHBondContact N-OG 2.98Å; T124-S127 PolarHBondContact O-N 3.21Å; T124-S127 PolarHBondContact O-OG 3.41Å; T124-S127 VanDerWaalsContact OG1-CB 3.31Å; T124-S127 WeakPolarHBondContact OG1-CB 3.46Å; T124-S127 PolarHBondContact OG1-N 3.36Å; T124-S127 PolarHBondContact OG1-OG 3.24Å; S127-S129 VanDerWaalsContact C-N 3.27Å; S127-S129 PolarHBondContact O-N 3.44Å; S127-L131 WeakPolarHBondContact O-CG 3.25Å; S127-L131 PolarHBondContact O-N 3.32Å; S127-T156 WeakPolarHBondContact CB-O 3.48Å; S127-T156 WeakPolarHBondContact O-CG2 3.27Å |
| 128 | T | 92.8 | Very high | 83.1 | Confident | 30 Ų | 30 | 81.1 Ų | 81.1 | 18% | 0.184 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -70.3 | -23.8 | 173.5 | -47.8 | 0 | 0 | 0 | 0 | 112.3 | T124 R125 E126 K132 W166 | T124-T128 WeakPolarHBondContact O-CB 3.43Å; T124-T128 PolarHBondContact O-N 3.43Å; T124-T128 PolarHBondContact O-OG1 3.47Å; R125-T128 PolarHBondContact O-N 3.07Å; E126-T128 VanDerWaalsContact C-N 3.26Å; E126-T128 PolarHBondContact O-N 3.33Å; T128-K132 HydrophobicContact CG2-CD 4.45Å; T128-K132 WeakPolarHBondContact O-CB 3.5Å; T128-K132 VanDerWaalsContact O-CG 3.26Å; T128-K132 WeakPolarHBondContact O-CG 3.38Å; T128-K132 PolarHBondContact O-N 3.41Å; T128-K132 VanDerWaalsContact O-N 3.17Å; T128-W166 HydrophobicContact CG2-CZ2 4.12Å |
| 129 | S | 96.1 | Very high | 84.9 | Confident | 62 Ų | 62 | 80.7 Ų | 80.7 | 43% | 0.434 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.4 | -48.7 | 175.7 | -159 | 0 | 0 | 0 | 0 | 111 | R125 E126 S127 L131 K132 A133 | R125-S129 PolarHBondContact O-N 2.96Å; E126-S129 WeakPolarHBondContact O-CA 3.44Å; E126-S129 WeakPolarHBondContact O-CB 3.35Å; E126-S129 PolarHBondContact O-N 3.09Å; S127-S129 VanDerWaalsContact C-N 3.27Å; S127-S129 PolarHBondContact O-N 3.44Å; S129-L131 VanDerWaalsContact C-N 3.34Å; S129-L131 PolarHBondContact O-N 3.32Å; S129-K132 WeakPolarHBondContact O-CB 3.35Å; S129-K132 PolarHBondContact O-N 3.17Å; S129-K132 VanDerWaalsContact O-N 3.13Å; S129-A133 PolarHBondContact O-N 2.78Å |
| 130 | T | 96.4 | Very high | 86.5 | Confident | 42 Ų | 42 | 82.5 Ų | 82.5 | 26% | 0.258 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -56.3 | -46.1 | 175.7 | -46.8 | 0 | 0 | 0 | 0 | 112 | E126 K132 A133 W134 L152 I155 T156 | E126-T130 PolarHBondContact O-N 3.3Å; E126-T130 PolarHBondContact O-OG1 2.71Å; T130-K132 VanDerWaalsContact C-N 3.3Å; T130-K132 PolarHBondContact O-N 3.4Å; T130-A133 PolarHBondContact O-N 2.83Å; T130-W134 PolarHBondContact O-N 3.15Å; T130-W134 VanDerWaalsContact O-N 3.09Å; T130-L152 HydrophobicContact CG2-CD2 3.84Å; T130-I155 HydrophobicContact CG2-CB 4.42Å; T130-I155 HydrophobicContact CG2-CG2 3.77Å; T130-T156 HydrophobicContact CG2-CG2 4.45Å |
| 131 | L | 97.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.5 | -33.8 | 179.2 | -63.5 | 172.1 | 0 | 0 | 0 | 112.7 | S127 S129 L135 L152 T156 M158 V163 W166 F167 | S127-L131 WeakPolarHBondContact O-CG 3.25Å; S127-L131 PolarHBondContact O-N 3.32Å; S129-L131 VanDerWaalsContact C-N 3.34Å; S129-L131 PolarHBondContact O-N 3.32Å; L131-L135 VanDerWaalsContact O-CB 3.31Å; L131-L135 WeakPolarHBondContact O-CB 3.21Å; L131-L135 PolarHBondContact O-N 3.11Å; L131-L152 HydrophobicContact CD2-CB 4.25Å; L131-L152 HydrophobicContact CD2-CD1 4.42Å; L131-L152 HydrophobicContact CD2-CD2 4.5Å; L131-T156 HydrophobicContact CD1-CG2 4.33Å; L131-T156 HydrophobicContact CD2-CG2 3.99Å; L131-T156 HydrophobicContact CG-CG2 3.84Å; L131-M158 HydrophobicContact CD1-CE 4.06Å; L131-M158 HydrophobicContact CD1-SD 3.91Å; L131-V163 HydrophobicContact CD2-CG1 4.09Å; L131-W166 HydrophobicContact CB-CD2 4.08Å; L131-W166 HydrophobicContact CB-CE3 3.87Å; L131-W166 HydrophobicContact CB-CH2 3.67Å; L131-W166 HydrophobicContact CB-CZ2 3.85Å; L131-W166 HydrophobicContact CB-CZ3 3.68Å; L131-W166 HydrophobicContact CD1-CB 4.42Å; L131-W166 HydrophobicContact CD1-CD2 3.79Å; L131-W166 HydrophobicContact CD1-CE3 4.24Å; L131-W166 HydrophobicContact CD1-CG 3.85Å; L131-W166 HydrophobicContact CG-CD2 4.48Å; L131-W166 HydrophobicContact CG-CE3 4.49Å; L131-F167 HydrophobicContact CD2-CE2 3.68Å; L131-F167 HydrophobicContact CD2-CZ 4.11Å |
| 132 | K | 95.4 | Very high | 89.8 | Confident | 126 Ų | 126 | 78.3 Ų | 78.3 | 55% | 0.548 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -72.5 | -38.5 | 173.7 | -76.2 | 170.9 | 175.5 | 179.1 | 0 | 112.6 | T128 S129 T130 L135 N136 W166 | T128-K132 HydrophobicContact CG2-CD 4.45Å; T128-K132 WeakPolarHBondContact O-CB 3.5Å; T128-K132 VanDerWaalsContact O-CG 3.26Å; T128-K132 WeakPolarHBondContact O-CG 3.38Å; T128-K132 PolarHBondContact O-N 3.41Å; T128-K132 VanDerWaalsContact O-N 3.17Å; S129-K132 WeakPolarHBondContact O-CB 3.35Å; S129-K132 PolarHBondContact O-N 3.17Å; S129-K132 VanDerWaalsContact O-N 3.13Å; T130-K132 VanDerWaalsContact C-N 3.3Å; T130-K132 PolarHBondContact O-N 3.4Å; K132-L135 PolarHBondContact O-N 2.9Å; K132-N136 WeakPolarHBondContact O-CB 3.16Å; K132-N136 PolarHBondContact O-N 2.67Å; K132-W166 HydrophobicContact CG-CH2 4.12Å; K132-W166 HydrophobicContact CG-CZ2 4.17Å |
| 133 | A | 96.5 | Very high | 91.6 | Very high | 62 Ų | 62 | 79.2 Ų | 79.2 | 51% | 0.512 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.7 | -52.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | S129 T130 L135 N136 E137 | S129-A133 PolarHBondContact O-N 2.78Å; T130-A133 PolarHBondContact O-N 2.83Å; A133-L135 VanDerWaalsContact C-N 3.3Å; A133-L135 PolarHBondContact O-N 2.97Å; A133-N136 WeakPolarHBondContact O-CA 3.39Å; A133-N136 WeakPolarHBondContact O-CB 3.45Å; A133-N136 PolarHBondContact O-N 3.44Å; A133-E137 PolarHBondContact O-N 3.45Å |
| 134 | W | 97.4 | Very high | 92.9 | Very high | 12 Ų | 12 | 76.9 Ų | 76.9 | 5% | 0.045 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.8 | -41.2 | 175.8 | -173.7 | 93 | 0 | 0 | 0 | 112 | T130 N136 E137 H138 P144 E148 L152 F167 | T130-W134 PolarHBondContact O-N 3.15Å; T130-W134 VanDerWaalsContact O-N 3.09Å; W134-N136 PolarHBondContact O-N 2.65Å; W134-E137 PolarHBondContact O-N 2.9Å; W134-H138 AromaticContact CD1-CE1 3.87Å; W134-H138 AromaticContact CD1-ND1 3.69Å; W134-H138 HydrophobicContact CD2-CB 4.24Å; W134-H138 AromaticContact CD2-CG 3.96Å; W134-H138 AromaticContact CD2-ND1 3.59Å; W134-H138 AromaticContact CE2-CE1 3.63Å; W134-H138 AromaticContact CE2-CG 3.48Å; W134-H138 VanDerWaalsContact CE2-CG 3.48Å; W134-H138 AromaticContact CE2-ND1 3.21Å; W134-H138 HydrophobicContact CE3-CB 3.95Å; W134-H138 AromaticContact CG-ND1 3.87Å; W134-H138 HydrophobicContact CH2-CB 3.41Å; W134-H138 VanDerWaalsContact CH2-CB 3.41Å; W134-H138 AromaticContact CH2-CD2 3.96Å; W134-H138 AromaticContact CH2-CG 3.5Å; W134-H138 VanDerWaalsContact CH2-CG 3.5Å; W134-H138 HydrophobicContact CZ2-CB 3.74Å; W134-H138 AromaticContact CZ2-CD2 3.5Å; W134-H138 VanDerWaalsContact CZ2-CD2 3.5Å; W134-H138 WeakPolarHBondContact CZ2-CD2 3.31Å; W134-H138 AromaticContact CZ2-CE1 3.9Å; W134-H138 AromaticContact CZ2-CG 3.24Å; W134-H138 AromaticContact CZ2-ND1 3.52Å; W134-H138 AromaticContact CZ2-NE2 3.92Å; W134-H138 HydrophobicContact CZ3-CB 3.55Å; W134-H138 AromaticContact CZ3-CG 3.99Å; W134-H138 AromaticContact NE1-CE1 3.35Å; W134-H138 PolarHBondContact NE1-CE1 2.91Å; W134-H138 VanDerWaalsContact NE1-CE1 3.35Å; W134-H138 AromaticContact NE1-ND1 3.33Å; W134-H138 PolarHBondContact NE1-ND1 2.7Å; W134-H138 WeakPolarHBondContact O-CB 3.43Å; W134-H138 PolarHBondContact O-N 3.14Å; W134-H138 PolarHBondContact O-ND1 3.25Å; W134-H138 VanDerWaalsContact O-ND1 3.16Å; W134-P144 VanDerWaalsContact CH2-CA 3.46Å; W134-P144 HydrophobicContact CH2-CB 3.63Å; W134-P144 VanDerWaalsContact CH2-CD 3.47Å; W134-P144 HydrophobicContact CH2-CG 4.07Å; W134-P144 VanDerWaalsContact CH2-N 3.29Å; W134-P144 VanDerWaalsContact CZ2-CA 3.44Å; W134-P144 HydrophobicContact CZ2-CB 3.54Å; W134-P144 HydrophobicContact CZ2-CG 4.44Å; W134-P144 HydrophobicContact CZ3-CB 4.13Å; W134-P144 HydrophobicContact CZ3-CG 4.19Å; W134-E148 VanDerWaalsContact CE2-OE1 3.29Å; W134-E148 WeakPolarHBondContact CZ2-OE1 3.4Å; W134-E148 PolarHBondContact NE1-OE1 3Å; W134-L152 HydrophobicContact CB-CD1 4.31Å; W134-L152 HydrophobicContact CB-CD2 4.17Å; W134-L152 HydrophobicContact CD2-CD1 4.15Å; W134-L152 HydrophobicContact CG-CD1 3.89Å; W134-L152 HydrophobicContact CG-CD2 4.4Å; W134-F167 HydrophobicContact CD2-CE1 4.41Å; W134-F167 HydrophobicContact CD2-CZ 4.13Å; W134-F167 HydrophobicContact CE3-CD1 4.36Å; W134-F167 AromaticContact CE3-CE1 3.33Å; W134-F167 HydrophobicContact CE3-CE1 3.33Å; W134-F167 AromaticContact CE3-CZ 3.45Å; W134-F167 HydrophobicContact CE3-CZ 3.45Å; W134-F167 VanDerWaalsContact CE3-CZ 3.45Å; W134-F167 HydrophobicContact CZ3-CD1 4.24Å; W134-F167 AromaticContact CZ3-CE1 3.62Å; W134-F167 HydrophobicContact CZ3-CE1 3.62Å; W134-F167 HydrophobicContact CZ3-CZ 4.06Å |
| 135 | L | 96.1 | Very high | 93.8 | Very high | 21 Ų | 21 | 76.7 Ų | 76.7 | 11% | 0.11 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.5 | -22.6 | 176.4 | -173.9 | 62.4 | 0 | 0 | 0 | 113.6 | L131 K132 A133 R139 P142 W166 F167 A170 L174 | L131-L135 VanDerWaalsContact O-CB 3.31Å; L131-L135 WeakPolarHBondContact O-CB 3.21Å; L131-L135 PolarHBondContact O-N 3.11Å; K132-L135 PolarHBondContact O-N 2.9Å; A133-L135 VanDerWaalsContact C-N 3.3Å; A133-L135 PolarHBondContact O-N 2.97Å; L135-R139 VanDerWaalsContact O-CD 3.23Å; L135-R139 WeakPolarHBondContact O-CD 3.28Å; L135-R139 WeakPolarHBondContact O-CG 3.28Å; L135-P142 HydrophobicContact CD1-CB 3.78Å; L135-W166 HydrophobicContact CD2-CH2 4.1Å; L135-W166 HydrophobicContact CD2-CZ3 4.05Å; L135-F167 HydrophobicContact CB-CE1 4.17Å; L135-F167 HydrophobicContact CD1-CD1 4.39Å; L135-F167 HydrophobicContact CD1-CE1 4.23Å; L135-A170 HydrophobicContact CD2-CB 3.79Å; L135-L174 HydrophobicContact CD1-CD2 4.22Å; L135-L174 HydrophobicContact CG-CD2 4.49Å |
| 136 | N | 94 | Very high | 94.6 | Very high | 119 Ų | 119 | 76.1 Ų | 76.1 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -88.3 | -22.4 | 176.7 | -168.6 | 78.3 | 0 | 0 | 0 | 113.2 | K132 A133 W134 R139 | K132-N136 WeakPolarHBondContact O-CB 3.16Å; K132-N136 PolarHBondContact O-N 2.67Å; A133-N136 WeakPolarHBondContact O-CA 3.39Å; A133-N136 WeakPolarHBondContact O-CB 3.45Å; A133-N136 PolarHBondContact O-N 3.44Å; W134-N136 PolarHBondContact O-N 2.65Å; N136-R139 VanDerWaalsContact C-CG 3.48Å; N136-R139 WeakPolarHBondContact O-CG 3.22Å |
| 137 | E | 96.2 | Very high | 95.2 | Very high | 142 Ų | 142 | 73.3 Ų | 73.3 | 66% | 0.664 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -75.6 | -51.5 | 166.2 | -177.3 | 176.2 | -151.2 | 0 | 0 | 109.8 | A133 W134 R139 | A133-E137 PolarHBondContact O-N 3.45Å; W134-E137 PolarHBondContact O-N 2.9Å; E137-R139 PolarHBondContact O-N 3.14Å |
| 138 | H | 94.4 | Very high | 95.6 | Very high | 56 Ų | 56 | 74.8 Ų | 74.8 | 26% | 0.259 | 38% | 0.382 | S | S | . | . | | | trans | -83.9 | 50 | -176.1 | -66.8 | 79.7 | 0 | 0 | 0 | 112.9 | W134 K140 N141 P142 E148 | W134-H138 AromaticContact CD1-CE1 3.87Å; W134-H138 AromaticContact CD1-ND1 3.69Å; W134-H138 HydrophobicContact CD2-CB 4.24Å; W134-H138 AromaticContact CD2-CG 3.96Å; W134-H138 AromaticContact CD2-ND1 3.59Å; W134-H138 AromaticContact CE2-CE1 3.63Å; W134-H138 AromaticContact CE2-CG 3.48Å; W134-H138 VanDerWaalsContact CE2-CG 3.48Å; W134-H138 AromaticContact CE2-ND1 3.21Å; W134-H138 HydrophobicContact CE3-CB 3.95Å; W134-H138 AromaticContact CG-ND1 3.87Å; W134-H138 HydrophobicContact CH2-CB 3.41Å; W134-H138 VanDerWaalsContact CH2-CB 3.41Å; W134-H138 AromaticContact CH2-CD2 3.96Å; W134-H138 AromaticContact CH2-CG 3.5Å; W134-H138 VanDerWaalsContact CH2-CG 3.5Å; W134-H138 HydrophobicContact CZ2-CB 3.74Å; W134-H138 AromaticContact CZ2-CD2 3.5Å; W134-H138 VanDerWaalsContact CZ2-CD2 3.5Å; W134-H138 WeakPolarHBondContact CZ2-CD2 3.31Å; W134-H138 AromaticContact CZ2-CE1 3.9Å; W134-H138 AromaticContact CZ2-CG 3.24Å; W134-H138 AromaticContact CZ2-ND1 3.52Å; W134-H138 AromaticContact CZ2-NE2 3.92Å; W134-H138 HydrophobicContact CZ3-CB 3.55Å; W134-H138 AromaticContact CZ3-CG 3.99Å; W134-H138 AromaticContact NE1-CE1 3.35Å; W134-H138 PolarHBondContact NE1-CE1 2.91Å; W134-H138 VanDerWaalsContact NE1-CE1 3.35Å; W134-H138 AromaticContact NE1-ND1 3.33Å; W134-H138 PolarHBondContact NE1-ND1 2.7Å; W134-H138 WeakPolarHBondContact O-CB 3.43Å; W134-H138 PolarHBondContact O-N 3.14Å; W134-H138 PolarHBondContact O-ND1 3.25Å; W134-H138 VanDerWaalsContact O-ND1 3.16Å; H138-K140 VanDerWaalsContact C-N 3.29Å; H138-K140 PolarHBondContact O-N 2.72Å; H138-N141 CarbonylContact O-C 3.49Å; H138-P142 WeakPolarHBondContact O-CA 3.44Å; H138-E148 IonicContact CE1-OE1 3.64Å; H138-E148 IonicContact NE2-OE1 3.76Å |
| 139 | R | 92.3 | Very high | 95.8 | Very high | 75 Ų | 75 | 76.2 Ų | 76.2 | 28% | 0.283 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -82.7 | 1.9 | 179.1 | -65 | -79.5 | -82.5 | 156.6 | 4.4 | 114 | L135 N136 E137 K179 V180 W182 | L135-R139 VanDerWaalsContact O-CD 3.23Å; L135-R139 WeakPolarHBondContact O-CD 3.28Å; L135-R139 WeakPolarHBondContact O-CG 3.28Å; N136-R139 VanDerWaalsContact C-CG 3.48Å; N136-R139 WeakPolarHBondContact O-CG 3.22Å; E137-R139 PolarHBondContact O-N 3.14Å; R139-K179 PolarHBondContact NH2-O 3.11Å; R139-V180 VanDerWaalsContact CZ-CG1 3.47Å; R139-W182 WeakPolarHBondContact O-CH2 3.46Å; R139-W182 WeakPolarHBondContact O-CZ3 3.33Å |
| 140 | K | 89.1 | Confident | 95.9 | Very high | 192 Ų | 192 | 77.2 Ų | 77.2 | 84% | 0.835 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -114.6 | -22.6 | 172.2 | -71.1 | -171.2 | 178.7 | -177 | 0 | 114.8 | H138 | H138-K140 VanDerWaalsContact C-N 3.29Å; H138-K140 PolarHBondContact O-N 2.72Å |
| 141 | N | 91.4 | Very high | 96 | Very high | 120 Ų | 120 | 79.8 Ų | 79.8 | 64% | 0.642 | 40% | 0.396 | S | S | * | . | | | trans | -147 | 106 | 161.2 | -90.9 | -43.7 | 0 | 0 | 0 | 111.3 | H138 Y143 | H138-N141 CarbonylContact O-C 3.49Å; N141-Y143 PolarHBondContact O-N 3.23Å |
| 142 | P | 95.4 | Very high | 96 | Very high | 7 Ų | 7 | 80 Ų | 80 | 5% | 0.045 | 40% | 0.397 | C | S | . | . | | | trans | -90.1 | 36.6 | -168.7 | 33.7 | -26.3 | 0 | 0 | 0 | 112.2 | L135 H138 P144 R171 W182 | L135-P142 HydrophobicContact CD1-CB 3.78Å; H138-P142 WeakPolarHBondContact O-CA 3.44Å; P142-P144 WeakPolarHBondContact O-CD 3.29Å; P142-R171 HydrophobicContact CB-CG 4.02Å; P142-R171 HydrophobicContact CG-CG 3.9Å; P142-R171 WeakPolarHBondContact O-CD 3.25Å; P142-R171 PolarHBondContact O-NH1 3.26Å; P142-W182 HydrophobicContact CB-CH2 3.65Å; P142-W182 HydrophobicContact CB-CZ2 4.13Å; P142-W182 HydrophobicContact CB-CZ3 4.34Å; P142-W182 HydrophobicContact CG-CE3 4.35Å; P142-W182 HydrophobicContact CG-CH2 3.37Å; P142-W182 HydrophobicContact CG-CZ2 3.74Å; P142-W182 HydrophobicContact CG-CZ3 3.7Å |
| 143 | Y | 97.4 | Very high | 96.1 | Very high | 153 Ų | 153 | 74.7 Ų | 74.7 | 60% | 0.6 | 38% | 0.377 | S | S | * | . | | | trans | -116.5 | 89.9 | -175.1 | -70.9 | -98.9 | 0 | 0 | 0 | 109.5 | N141 T145 R171 | N141-Y143 PolarHBondContact O-N 3.23Å; Y143-T145 PolarHBondContact O-N 3.35Å; Y143-R171 VanDerWaalsContact CD1-CZ 3.48Å; Y143-R171 VanDerWaalsContact CE1-CZ 3.46Å |
| 144 | P | 96.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.019 | 38% | 0.382 | C | S | . | . | | | trans | -62.2 | 137.6 | -178.7 | 22.7 | -31.4 | 0 | 0 | 0 | 110.5 | W134 P142 E148 K149 F167 | W134-P144 VanDerWaalsContact CH2-CA 3.46Å; W134-P144 HydrophobicContact CH2-CB 3.63Å; W134-P144 VanDerWaalsContact CH2-CD 3.47Å; W134-P144 HydrophobicContact CH2-CG 4.07Å; W134-P144 VanDerWaalsContact CH2-N 3.29Å; W134-P144 VanDerWaalsContact CZ2-CA 3.44Å; W134-P144 HydrophobicContact CZ2-CB 3.54Å; W134-P144 HydrophobicContact CZ2-CG 4.44Å; W134-P144 HydrophobicContact CZ3-CB 4.13Å; W134-P144 HydrophobicContact CZ3-CG 4.19Å; P142-P144 WeakPolarHBondContact O-CD 3.29Å; P144-E148 HydrophobicContact CB-CB 4Å; P144-K149 HydrophobicContact CB-CG 4Å; P144-K149 HydrophobicContact CG-CG 3.88Å; P144-K149 WeakPolarHBondContact O-CE 3.27Å; P144-K149 PolarHBondContact O-NZ 3.21Å; P144-F167 HydrophobicContact CG-CD1 4.39Å; P144-F167 HydrophobicContact CG-CD2 3.81Å; P144-F167 HydrophobicContact CG-CE2 3.99Å; P144-F167 HydrophobicContact CG-CG 4.02Å; P144-F167 HydrophobicContact CG-CZ 4.38Å |
| 145 | T | 98.1 | Very high | 96.1 | Very high | 82 Ų | 82 | 81.5 Ų | 81.5 | 50% | 0.503 | 40% | 0.403 | S | S | . | . | | | trans | -63.6 | 176.2 | 178 | 60.4 | 0 | 0 | 0 | 0 | 112.5 | Y143 G147 E148 K149 | Y143-T145 PolarHBondContact O-N 3.35Å; T145-G147 VanDerWaalsContact C-N 3.33Å; T145-G147 PolarHBondContact O-N 3.33Å; T145-E148 VanDerWaalsContact CB-OE2 3.29Å; T145-E148 WeakPolarHBondContact CB-OE2 3.46Å; T145-E148 VanDerWaalsContact CG2-OE2 3.27Å; T145-E148 WeakPolarHBondContact CG2-OE2 3.31Å; T145-E148 PolarHBondContact N-OE2 3.31Å; T145-E148 VanDerWaalsContact OG1-CG 3.28Å; T145-E148 WeakPolarHBondContact OG1-CG 3.41Å; T145-E148 PolarHBondContact OG1-N 2.87Å; T145-E148 PolarHBondContact OG1-OE2 3.21Å; T145-K149 VanDerWaalsContact O-CG 3.29Å; T145-K149 WeakPolarHBondContact O-CG 3.27Å; T145-K149 PolarHBondContact O-N 3.38Å; T145-K149 VanDerWaalsContact O-N 3.11Å |
| 146 | K | 97.8 | Very high | 96.1 | Very high | 181 Ų | 181 | 80.9 Ų | 80.9 | 79% | 0.787 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -58.7 | -44.8 | 175.4 | -169 | 177.4 | 179.9 | -177.6 | 0 | 111.2 | I150 | K146-I150 WeakPolarHBondContact O-CD1 3.38Å; K146-I150 WeakPolarHBondContact O-CG1 3.49Å; K146-I150 PolarHBondContact O-N 3.33Å |
| 147 | G | 98.2 | Very high | 96.2 | Very high | 47 Ų | 47 | 84.7 Ų | 84.7 | 49% | 0.485 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.5 | -48.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T145 K149 I150 M151 | T145-G147 VanDerWaalsContact C-N 3.33Å; T145-G147 PolarHBondContact O-N 3.33Å; G147-K149 VanDerWaalsContact C-N 3.35Å; G147-K149 PolarHBondContact O-N 3.16Å; G147-I150 WeakPolarHBondContact O-CB 3.34Å; G147-I150 PolarHBondContact O-N 2.96Å; G147-M151 PolarHBondContact O-N 2.9Å |
| 148 | E | 98 | Very high | 96.1 | Very high | 38 Ų | 38 | 79 Ų | 79 | 18% | 0.178 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64 | -38.1 | -179.3 | -67.8 | 166.8 | 109.9 | 0 | 0 | 112.8 | W134 H138 P144 T145 I150 M151 L152 | W134-E148 VanDerWaalsContact CE2-OE1 3.29Å; W134-E148 WeakPolarHBondContact CZ2-OE1 3.4Å; W134-E148 PolarHBondContact NE1-OE1 3Å; H138-E148 IonicContact CE1-OE1 3.64Å; H138-E148 IonicContact NE2-OE1 3.76Å; P144-E148 HydrophobicContact CB-CB 4Å; T145-E148 VanDerWaalsContact CB-OE2 3.29Å; T145-E148 WeakPolarHBondContact CB-OE2 3.46Å; T145-E148 VanDerWaalsContact CG2-OE2 3.27Å; T145-E148 WeakPolarHBondContact CG2-OE2 3.31Å; T145-E148 PolarHBondContact N-OE2 3.31Å; T145-E148 VanDerWaalsContact OG1-CG 3.28Å; T145-E148 WeakPolarHBondContact OG1-CG 3.41Å; T145-E148 PolarHBondContact OG1-N 2.87Å; T145-E148 PolarHBondContact OG1-OE2 3.21Å; E148-I150 PolarHBondContact O-N 2.86Å; E148-M151 PolarHBondContact O-N 3.3Å; E148-L152 VanDerWaalsContact O-CB 3.28Å; E148-L152 WeakPolarHBondContact O-CB 3.29Å; E148-L152 VanDerWaalsContact O-CG 3.22Å; E148-L152 WeakPolarHBondContact O-CG 3.49Å; E148-L152 PolarHBondContact O-N 2.97Å |
| 149 | K | 97.7 | Very high | 96.3 | Very high | 60 Ų | 60 | 80 Ų | 80 | 26% | 0.261 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.9 | -35.1 | 173.9 | -72 | -174.9 | -167 | 84.3 | 0 | 112.1 | P144 T145 G147 A153 L160 | P144-K149 HydrophobicContact CB-CG 4Å; P144-K149 HydrophobicContact CG-CG 3.88Å; P144-K149 WeakPolarHBondContact O-CE 3.27Å; P144-K149 PolarHBondContact O-NZ 3.21Å; T145-K149 VanDerWaalsContact O-CG 3.29Å; T145-K149 WeakPolarHBondContact O-CG 3.27Å; T145-K149 PolarHBondContact O-N 3.38Å; T145-K149 VanDerWaalsContact O-N 3.11Å; G147-K149 VanDerWaalsContact C-N 3.35Å; G147-K149 PolarHBondContact O-N 3.16Å; K149-A153 VanDerWaalsContact O-CB 3.25Å; K149-A153 WeakPolarHBondContact O-CB 3.26Å; K149-A153 PolarHBondContact O-N 3.04Å; K149-L160 HydrophobicContact CB-CD1 3.52Å; K149-L160 HydrophobicContact CD-CD1 4.16Å; K149-L160 HydrophobicContact CG-CD1 4.45Å |
| 150 | I | 97.8 | Very high | 96.5 | Very high | 83 Ų | 83 | 80.8 Ų | 80.8 | 43% | 0.426 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -72.6 | -48.5 | 176.2 | -65.6 | 165 | 0 | 0 | 0 | 110.4 | K146 G147 E148 L152 A153 I154 | K146-I150 WeakPolarHBondContact O-CD1 3.38Å; K146-I150 WeakPolarHBondContact O-CG1 3.49Å; K146-I150 PolarHBondContact O-N 3.33Å; G147-I150 WeakPolarHBondContact O-CB 3.34Å; G147-I150 PolarHBondContact O-N 2.96Å; E148-I150 PolarHBondContact O-N 2.86Å; I150-L152 VanDerWaalsContact C-N 3.33Å; I150-L152 PolarHBondContact O-N 3.13Å; I150-A153 WeakPolarHBondContact O-CB 3.5Å; I150-A153 PolarHBondContact O-N 3Å; I150-A153 VanDerWaalsContact O-N 3.14Å; I150-I154 HydrophobicContact CG2-CD1 3.89Å; I150-I154 WeakPolarHBondContact O-CG1 3.48Å; I150-I154 PolarHBondContact O-N 3.2Å |
| 151 | M | 98.2 | Very high | 96.9 | Very high | 97 Ų | 97 | 76.4 Ų | 76.4 | 48% | 0.478 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -56.3 | -47.1 | 176.2 | -179.3 | 176.5 | 68.9 | 0 | 0 | 111.7 | G147 E148 I154 I155 | G147-M151 PolarHBondContact O-N 2.9Å; E148-M151 PolarHBondContact O-N 3.3Å; M151-I154 PolarHBondContact O-N 2.87Å; M151-I155 HydrophobicContact CG-CD1 3.79Å; M151-I155 WeakPolarHBondContact O-CG1 3.35Å; M151-I155 PolarHBondContact O-N 2.78Å |
| 152 | L | 97.9 | Very high | 97.1 | Very high | 4 Ų | 4 | 75 Ų | 75 | 2% | 0.021 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64 | -42.4 | 176.2 | -68.9 | 170.8 | 0 | 0 | 0 | 111.3 | T130 L131 W134 E148 I150 I154 I155 T156 V163 F167 | T130-L152 HydrophobicContact CG2-CD2 3.84Å; L131-L152 HydrophobicContact CD2-CB 4.25Å; L131-L152 HydrophobicContact CD2-CD1 4.42Å; L131-L152 HydrophobicContact CD2-CD2 4.5Å; W134-L152 HydrophobicContact CB-CD1 4.31Å; W134-L152 HydrophobicContact CB-CD2 4.17Å; W134-L152 HydrophobicContact CD2-CD1 4.15Å; W134-L152 HydrophobicContact CG-CD1 3.89Å; W134-L152 HydrophobicContact CG-CD2 4.4Å; E148-L152 VanDerWaalsContact O-CB 3.28Å; E148-L152 WeakPolarHBondContact O-CB 3.29Å; E148-L152 VanDerWaalsContact O-CG 3.22Å; E148-L152 WeakPolarHBondContact O-CG 3.49Å; E148-L152 PolarHBondContact O-N 2.97Å; I150-L152 VanDerWaalsContact C-N 3.33Å; I150-L152 PolarHBondContact O-N 3.13Å; L152-I154 VanDerWaalsContact C-N 3.33Å; L152-I154 PolarHBondContact O-N 3.47Å; L152-I155 PolarHBondContact O-N 3.46Å; L152-T156 WeakPolarHBondContact O-CB 3.47Å; L152-T156 WeakPolarHBondContact O-CG2 3.38Å; L152-T156 PolarHBondContact O-N 3.17Å; L152-T156 PolarHBondContact O-OG1 3Å; L152-V163 HydrophobicContact CB-CG1 4.21Å; L152-F167 HydrophobicContact CD1-CE2 3.74Å; L152-F167 HydrophobicContact CD1-CZ 3.92Å |
| 153 | A | 97.3 | Very high | 97.2 | Very high | 15 Ų | 15 | 74.6 Ų | 74.6 | 12% | 0.124 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K149 I150 T156 K157 M158 V163 | K149-A153 VanDerWaalsContact O-CB 3.25Å; K149-A153 WeakPolarHBondContact O-CB 3.26Å; K149-A153 PolarHBondContact O-N 3.04Å; I150-A153 WeakPolarHBondContact O-CB 3.5Å; I150-A153 PolarHBondContact O-N 3Å; I150-A153 VanDerWaalsContact O-N 3.14Å; A153-T156 PolarHBondContact O-OG1 3.39Å; A153-K157 WeakPolarHBondContact O-CA 3.13Å; A153-K157 PolarHBondContact O-N 3.04Å; A153-M158 WeakPolarHBondContact CA-O 3.5Å; A153-M158 VanDerWaalsContact CB-O 3.27Å; A153-M158 WeakPolarHBondContact CB-O 3.31Å; A153-M158 PolarHBondContact O-N 3.42Å; A153-V163 HydrophobicContact CB-CG2 4.11Å |
| 154 | I | 97.2 | Very high | 97.2 | Very high | 121 Ų | 121 | 69.9 Ų | 69.9 | 62% | 0.621 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.4 | -53.2 | 177.2 | -66.8 | 164.7 | 0 | 0 | 0 | 111 | I150 M151 L152 T156 K157 | I150-I154 HydrophobicContact CG2-CD1 3.89Å; I150-I154 WeakPolarHBondContact O-CG1 3.48Å; I150-I154 PolarHBondContact O-N 3.2Å; M151-I154 PolarHBondContact O-N 2.87Å; L152-I154 VanDerWaalsContact C-N 3.33Å; L152-I154 PolarHBondContact O-N 3.47Å; I154-T156 PolarHBondContact O-N 3.42Å; I154-K157 PolarHBondContact O-N 2.61Å |
| 155 | I | 96.6 | Very high | 97.3 | Very high | 95 Ų | 95 | 73.8 Ų | 73.8 | 49% | 0.487 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | -177.6 | -63.8 | 164.7 | 0 | 0 | 0 | 111.1 | T130 M151 L152 K157 | T130-I155 HydrophobicContact CG2-CB 4.42Å; T130-I155 HydrophobicContact CG2-CG2 3.77Å; M151-I155 HydrophobicContact CG-CD1 3.79Å; M151-I155 WeakPolarHBondContact O-CG1 3.35Å; M151-I155 PolarHBondContact O-N 2.78Å; L152-I155 PolarHBondContact O-N 3.46Å; I155-K157 VanDerWaalsContact C-N 3.32Å; I155-K157 PolarHBondContact O-N 3.41Å |
| 156 | T | 96.6 | Very high | 97.2 | Very high | 9 Ų | 9 | 72.4 Ų | 72.4 | 6% | 0.055 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -79.3 | -14.3 | -177.4 | 60.7 | 0 | 0 | 0 | 0 | 113.9 | S127 T130 L131 L152 A153 I154 M158 | S127-T156 WeakPolarHBondContact CB-O 3.48Å; S127-T156 WeakPolarHBondContact O-CG2 3.27Å; T130-T156 HydrophobicContact CG2-CG2 4.45Å; L131-T156 HydrophobicContact CD1-CG2 4.33Å; L131-T156 HydrophobicContact CD2-CG2 3.99Å; L131-T156 HydrophobicContact CG-CG2 3.84Å; L152-T156 WeakPolarHBondContact O-CB 3.47Å; L152-T156 WeakPolarHBondContact O-CG2 3.38Å; L152-T156 PolarHBondContact O-N 3.17Å; L152-T156 PolarHBondContact O-OG1 3Å; A153-T156 PolarHBondContact O-OG1 3.39Å; I154-T156 PolarHBondContact O-N 3.42Å; T156-M158 PolarHBondContact O-N 3.1Å; T156-M158 WeakPolarHBondContact OG1-CB 3.33Å; T156-M158 PolarHBondContact OG1-N 2.93Å |
| 157 | K | 96.1 | Very high | 97.2 | Very high | 198 Ų | 198 | 63.9 Ų | 63.9 | 86% | 0.861 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 31.6 | -169.7 | -54.6 | -177.8 | -177.9 | -178.9 | 0 | 112.8 | A153 I154 I155 | A153-K157 WeakPolarHBondContact O-CA 3.13Å; A153-K157 PolarHBondContact O-N 3.04Å; I154-K157 PolarHBondContact O-N 2.61Å; I155-K157 VanDerWaalsContact C-N 3.32Å; I155-K157 PolarHBondContact O-N 3.41Å |
| 158 | M | 94.4 | Very high | 97.1 | Very high | 23 Ų | 23 | 62.8 Ų | 62.8 | 11% | 0.113 | 33% | 0.329 | C | S | . | . | | | trans | -105.4 | 150.5 | 176.1 | -66.8 | 171.6 | 54.7 | 0 | 0 | 109.7 | A123 L131 A153 T156 Q162 V163 | A123-M158 HydrophobicContact CB-CE 4.34Å; A123-M158 HydrophobicContact CB-SD 3.99Å; L131-M158 HydrophobicContact CD1-CE 4.06Å; L131-M158 HydrophobicContact CD1-SD 3.91Å; A153-M158 WeakPolarHBondContact CA-O 3.5Å; A153-M158 VanDerWaalsContact CB-O 3.27Å; A153-M158 WeakPolarHBondContact CB-O 3.31Å; A153-M158 PolarHBondContact O-N 3.42Å; T156-M158 PolarHBondContact O-N 3.1Å; T156-M158 WeakPolarHBondContact OG1-CB 3.33Å; T156-M158 PolarHBondContact OG1-N 2.93Å; M158-Q162 HydrophobicContact CB-CB 4.13Å; M158-Q162 HydrophobicContact CE-CB 3.85Å; M158-V163 HydrophobicContact CB-CG2 3.99Å |
| 159 | T | 97.3 | Very high | 97 | Very high | 78 Ų | 78 | 64.1 Ų | 64.1 | 48% | 0.479 | 34% | 0.338 | S | S | . | . | | | trans | -67.9 | 154 | 176.1 | 74.5 | 0 | 0 | 0 | 0 | 111.2 | T161 Q162 V163 | T159-T161 PolarHBondContact O-N 2.97Å; T159-T161 VanDerWaalsContact O-N 3.14Å; T159-Q162 WeakPolarHBondContact O-CA 3.39Å; T159-Q162 WeakPolarHBondContact O-CB 3.45Å; T159-Q162 PolarHBondContact O-N 3.47Å; T159-Q162 WeakPolarHBondContact OG1-CG 3.23Å; T159-Q162 PolarHBondContact OG1-N 2.88Å; T159-V163 PolarHBondContact O-N 3.34Å |
| 160 | L | 96.8 | Very high | 96.9 | Very high | 90 Ų | 90 | 61.8 Ų | 61.8 | 47% | 0.471 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -50.4 | -40.1 | 175.4 | -179.2 | 59.8 | 0 | 0 | 0 | 112.2 | K149 V163 S164 | K149-L160 HydrophobicContact CB-CD1 3.52Å; K149-L160 HydrophobicContact CD-CD1 4.16Å; K149-L160 HydrophobicContact CG-CD1 4.45Å; L160-V163 PolarHBondContact O-N 2.81Å; L160-S164 VanDerWaalsContact O-CB 3.31Å; L160-S164 WeakPolarHBondContact O-CB 3.46Å; L160-S164 PolarHBondContact O-N 2.98Å |
| 161 | T | 97.1 | Very high | 96.7 | Very high | 101 Ų | 101 | 60.8 Ų | 60.8 | 62% | 0.62 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.7 | -40.6 | 175.4 | -42.7 | 0 | 0 | 0 | 0 | 112.6 | T159 T165 | T159-T161 PolarHBondContact O-N 2.97Å; T159-T161 VanDerWaalsContact O-N 3.14Å; T161-T165 VanDerWaalsContact O-CB 3.27Å; T161-T165 WeakPolarHBondContact O-CB 3.01Å; T161-T165 PolarHBondContact O-N 3.04Å; T161-T165 PolarHBondContact O-OG1 2.79Å |
| 162 | Q | 97.2 | Very high | 96.5 | Very high | 89 Ų | 89 | 64.4 Ų | 64.4 | 42% | 0.416 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.4 | -43.9 | 175.8 | -73.1 | 173 | -35.7 | 0 | 0 | 111.6 | M158 T159 T165 W166 | M158-Q162 HydrophobicContact CB-CB 4.13Å; M158-Q162 HydrophobicContact CE-CB 3.85Å; T159-Q162 WeakPolarHBondContact O-CA 3.39Å; T159-Q162 WeakPolarHBondContact O-CB 3.45Å; T159-Q162 PolarHBondContact O-N 3.47Å; T159-Q162 WeakPolarHBondContact OG1-CG 3.23Å; T159-Q162 PolarHBondContact OG1-N 2.88Å; Q162-T165 PolarHBondContact O-N 3.48Å; Q162-W166 WeakPolarHBondContact O-CB 3.37Å; Q162-W166 PolarHBondContact O-N 3.48Å |
| 163 | V | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 175.6 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | L131 L152 A153 M158 T159 L160 T165 W166 F167 | L131-V163 HydrophobicContact CD2-CG1 4.09Å; L152-V163 HydrophobicContact CB-CG1 4.21Å; A153-V163 HydrophobicContact CB-CG2 4.11Å; M158-V163 HydrophobicContact CB-CG2 3.99Å; T159-V163 PolarHBondContact O-N 3.34Å; L160-V163 PolarHBondContact O-N 2.81Å; V163-T165 PolarHBondContact O-N 3.34Å; V163-W166 WeakPolarHBondContact O-CB 3.48Å; V163-W166 PolarHBondContact O-N 3.14Å; V163-F167 HydrophobicContact CG1-CD2 3.86Å; V163-F167 HydrophobicContact CG1-CE2 3.84Å; V163-F167 WeakPolarHBondContact O-CD2 3.44Å; V163-F167 PolarHBondContact O-N 3.44Å |
| 164 | S | 97.4 | Very high | 95.6 | Very high | 53 Ų | 53 | 71.4 Ų | 71.4 | 37% | 0.371 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 176.8 | -171.7 | 0 | 0 | 0 | 0 | 112.3 | L160 W166 F167 A168 | L160-S164 VanDerWaalsContact O-CB 3.31Å; L160-S164 WeakPolarHBondContact O-CB 3.46Å; L160-S164 PolarHBondContact O-N 2.98Å; S164-W166 PolarHBondContact O-N 2.94Å; S164-F167 PolarHBondContact O-N 3.16Å; S164-A168 WeakPolarHBondContact O-CB 3.38Å; S164-A168 PolarHBondContact O-N 3.44Å |
| 165 | T | 97.5 | Very high | 94.6 | Very high | 86 Ų | 86 | 74.6 Ų | 74.6 | 53% | 0.528 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64 | -39.3 | 177.1 | -57.5 | 0 | 0 | 0 | 0 | 112 | T161 Q162 V163 A168 N169 | T161-T165 VanDerWaalsContact O-CB 3.27Å; T161-T165 WeakPolarHBondContact O-CB 3.01Å; T161-T165 PolarHBondContact O-N 3.04Å; T161-T165 PolarHBondContact O-OG1 2.79Å; Q162-T165 PolarHBondContact O-N 3.48Å; V163-T165 PolarHBondContact O-N 3.34Å; T165-A168 PolarHBondContact O-N 2.85Å; T165-N169 WeakPolarHBondContact O-CB 3.45Å; T165-N169 PolarHBondContact O-N 2.89Å |
| 166 | W | 97.1 | Very high | 93.4 | Very high | 53 Ų | 53 | 79.3 Ų | 79.3 | 20% | 0.201 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.1 | -49.3 | 176.7 | -170 | 101.4 | 0 | 0 | 0 | 111.1 | T128 L131 K132 L135 Q162 V163 S164 A168 N169 A170 | T128-W166 HydrophobicContact CG2-CZ2 4.12Å; L131-W166 HydrophobicContact CB-CD2 4.08Å; L131-W166 HydrophobicContact CB-CE3 3.87Å; L131-W166 HydrophobicContact CB-CH2 3.67Å; L131-W166 HydrophobicContact CB-CZ2 3.85Å; L131-W166 HydrophobicContact CB-CZ3 3.68Å; L131-W166 HydrophobicContact CD1-CB 4.42Å; L131-W166 HydrophobicContact CD1-CD2 3.79Å; L131-W166 HydrophobicContact CD1-CE3 4.24Å; L131-W166 HydrophobicContact CD1-CG 3.85Å; L131-W166 HydrophobicContact CG-CD2 4.48Å; L131-W166 HydrophobicContact CG-CE3 4.49Å; K132-W166 HydrophobicContact CG-CH2 4.12Å; K132-W166 HydrophobicContact CG-CZ2 4.17Å; L135-W166 HydrophobicContact CD2-CH2 4.1Å; L135-W166 HydrophobicContact CD2-CZ3 4.05Å; Q162-W166 WeakPolarHBondContact O-CB 3.37Å; Q162-W166 PolarHBondContact O-N 3.48Å; V163-W166 WeakPolarHBondContact O-CB 3.48Å; V163-W166 PolarHBondContact O-N 3.14Å; S164-W166 PolarHBondContact O-N 2.94Å; W166-A168 PolarHBondContact O-N 3.06Å; W166-N169 PolarHBondContact O-N 3.04Å; W166-N169 VanDerWaalsContact O-N 3.14Å; W166-A170 HydrophobicContact CE3-CB 3.96Å; W166-A170 HydrophobicContact CH2-CB 4.21Å; W166-A170 HydrophobicContact CZ3-CB 3.75Å; W166-A170 WeakPolarHBondContact O-CB 3.25Å; W166-A170 PolarHBondContact O-N 2.94Å |
| 167 | F | 97.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 82.9 Ų | 82.9 | 1% | 0.009 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 176.7 | -83.6 | -70.5 | 0 | 0 | 0 | 112.9 | L131 W134 L135 P144 L152 V163 S164 N169 A170 R171 | L131-F167 HydrophobicContact CD2-CE2 3.68Å; L131-F167 HydrophobicContact CD2-CZ 4.11Å; W134-F167 HydrophobicContact CD2-CE1 4.41Å; W134-F167 HydrophobicContact CD2-CZ 4.13Å; W134-F167 HydrophobicContact CE3-CD1 4.36Å; W134-F167 AromaticContact CE3-CE1 3.33Å; W134-F167 HydrophobicContact CE3-CE1 3.33Å; W134-F167 AromaticContact CE3-CZ 3.45Å; W134-F167 HydrophobicContact CE3-CZ 3.45Å; W134-F167 VanDerWaalsContact CE3-CZ 3.45Å; W134-F167 HydrophobicContact CZ3-CD1 4.24Å; W134-F167 AromaticContact CZ3-CE1 3.62Å; W134-F167 HydrophobicContact CZ3-CE1 3.62Å; W134-F167 HydrophobicContact CZ3-CZ 4.06Å; L135-F167 HydrophobicContact CB-CE1 4.17Å; L135-F167 HydrophobicContact CD1-CD1 4.39Å; L135-F167 HydrophobicContact CD1-CE1 4.23Å; P144-F167 HydrophobicContact CG-CD1 4.39Å; P144-F167 HydrophobicContact CG-CD2 3.81Å; P144-F167 HydrophobicContact CG-CE2 3.99Å; P144-F167 HydrophobicContact CG-CG 4.02Å; P144-F167 HydrophobicContact CG-CZ 4.38Å; L152-F167 HydrophobicContact CD1-CE2 3.74Å; L152-F167 HydrophobicContact CD1-CZ 3.92Å; V163-F167 HydrophobicContact CG1-CD2 3.86Å; V163-F167 HydrophobicContact CG1-CE2 3.84Å; V163-F167 WeakPolarHBondContact O-CD2 3.44Å; V163-F167 PolarHBondContact O-N 3.44Å; S164-F167 PolarHBondContact O-N 3.16Å; F167-N169 PolarHBondContact O-N 3.4Å; F167-A170 PolarHBondContact O-N 3.02Å; F167-R171 WeakPolarHBondContact O-CB 3.1Å; F167-R171 WeakPolarHBondContact O-CG 3.21Å; F167-R171 PolarHBondContact O-N 3.19Å |
| 168 | A | 96.3 | Very high | 89.8 | Confident | 24 Ų | 24 | 80 Ų | 80 | 20% | 0.198 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.9 | -30.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S164 T165 W166 R172 | S164-A168 WeakPolarHBondContact O-CB 3.38Å; S164-A168 PolarHBondContact O-N 3.44Å; T165-A168 PolarHBondContact O-N 2.85Å; W166-A168 PolarHBondContact O-N 3.06Å; A168-R172 WeakPolarHBondContact O-CD 3.47Å; A168-R172 VanDerWaalsContact O-CG 3.25Å; A168-R172 WeakPolarHBondContact O-CG 3.46Å; A168-R172 PolarHBondContact O-NH1 3.03Å |
| 169 | N | 96 | Very high | 88.2 | Confident | 66 Ų | 66 | 85.1 Ų | 85.1 | 35% | 0.353 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -78.8 | -45 | 174 | -162.7 | -44.7 | 0 | 0 | 0 | 111.4 | T165 W166 F167 R171 R172 R173 | T165-N169 WeakPolarHBondContact O-CB 3.45Å; T165-N169 PolarHBondContact O-N 2.89Å; W166-N169 PolarHBondContact O-N 3.04Å; W166-N169 VanDerWaalsContact O-N 3.14Å; F167-N169 PolarHBondContact O-N 3.4Å; N169-R171 PolarHBondContact O-N 3.29Å; N169-R172 PolarHBondContact O-N 3.05Å; N169-R172 VanDerWaalsContact O-N 3.16Å; N169-R173 PolarHBondContact O-N 3.16Å; N169-R173 PolarHBondContact OD1-NE 3.49Å; N169-R173 PolarHBondContact OD1-NH1 2.86Å |
| 170 | A | 94.8 | Very high | 86.3 | Confident | 11 Ų | 11 | 83.1 Ų | 83.1 | 9% | 0.091 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -57 | -50.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L135 W166 F167 R172 R173 L174 | L135-A170 HydrophobicContact CD2-CB 3.79Å; W166-A170 HydrophobicContact CE3-CB 3.96Å; W166-A170 HydrophobicContact CH2-CB 4.21Å; W166-A170 HydrophobicContact CZ3-CB 3.75Å; W166-A170 WeakPolarHBondContact O-CB 3.25Å; W166-A170 PolarHBondContact O-N 2.94Å; F167-A170 PolarHBondContact O-N 3.02Å; A170-R172 VanDerWaalsContact C-N 3.3Å; A170-R172 PolarHBondContact O-N 2.9Å; A170-R173 PolarHBondContact O-N 3.38Å; A170-L174 VanDerWaalsContact O-CB 3.25Å; A170-L174 WeakPolarHBondContact O-CB 3.37Å; A170-L174 PolarHBondContact O-N 2.79Å |
| 171 | R | 95 | Very high | 84.3 | Confident | 61 Ų | 61 | 82 Ų | 82 | 23% | 0.23 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -56.4 | -39.1 | 175.4 | -72.9 | -163.8 | -66.2 | -96.6 | 7.2 | 113.2 | P142 Y143 F167 N169 L174 K175 | P142-R171 HydrophobicContact CB-CG 4.02Å; P142-R171 HydrophobicContact CG-CG 3.9Å; P142-R171 WeakPolarHBondContact O-CD 3.25Å; P142-R171 PolarHBondContact O-NH1 3.26Å; Y143-R171 VanDerWaalsContact CD1-CZ 3.48Å; Y143-R171 VanDerWaalsContact CE1-CZ 3.46Å; F167-R171 WeakPolarHBondContact O-CB 3.1Å; F167-R171 WeakPolarHBondContact O-CG 3.21Å; F167-R171 PolarHBondContact O-N 3.19Å; N169-R171 PolarHBondContact O-N 3.29Å; R171-L174 PolarHBondContact O-N 3.12Å; R171-K175 PolarHBondContact O-N 3.38Å |
| 172 | R | 93.6 | Very high | 82.3 | Confident | 173 Ų | 173 | 81.8 Ų | 81.8 | 65% | 0.653 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67 | -42.3 | 177.8 | -72.8 | 175.3 | -170.5 | 115.5 | -14 | 112.2 | A168 N169 A170 L174 K175 K176 | A168-R172 WeakPolarHBondContact O-CD 3.47Å; A168-R172 VanDerWaalsContact O-CG 3.25Å; A168-R172 WeakPolarHBondContact O-CG 3.46Å; A168-R172 PolarHBondContact O-NH1 3.03Å; N169-R172 PolarHBondContact O-N 3.05Å; N169-R172 VanDerWaalsContact O-N 3.16Å; A170-R172 VanDerWaalsContact C-N 3.3Å; A170-R172 PolarHBondContact O-N 2.9Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-K175 PolarHBondContact O-N 3.24Å; R172-K176 PolarHBondContact O-N 3.19Å |
| 173 | R | 90.7 | Very high | 80.1 | Confident | 153 Ų | 153 | 81 Ų | 81 | 58% | 0.577 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.6 | -48.6 | 172.2 | -69.9 | 179.5 | 174.2 | 127.6 | -0.3 | 110.2 | N169 A170 K175 K176 E177 | N169-R173 PolarHBondContact O-N 3.16Å; N169-R173 PolarHBondContact OD1-NE 3.49Å; N169-R173 PolarHBondContact OD1-NH1 2.86Å; A170-R173 PolarHBondContact O-N 3.38Å; R173-K175 PolarHBondContact O-N 3.08Å; R173-K175 VanDerWaalsContact O-N 3.17Å; R173-K176 WeakPolarHBondContact O-CA 3.21Å; R173-K176 PolarHBondContact O-N 3.09Å; R173-E177 WeakPolarHBondContact O-CG 3.35Å; R173-E177 PolarHBondContact O-N 2.78Å |
| 174 | L | 84.4 | Confident | 77.5 | Confident | 14 Ų | 14 | 88.1 Ų | 88.1 | 7% | 0.073 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.5 | -16.3 | -177.1 | -152.6 | 62.5 | 0 | 0 | 0 | 115.3 | L135 A170 R171 R172 V180 W182 | L135-L174 HydrophobicContact CD1-CD2 4.22Å; L135-L174 HydrophobicContact CG-CD2 4.49Å; A170-L174 VanDerWaalsContact O-CB 3.25Å; A170-L174 WeakPolarHBondContact O-CB 3.37Å; A170-L174 PolarHBondContact O-N 2.79Å; R171-L174 PolarHBondContact O-N 3.12Å; R172-L174 VanDerWaalsContact C-N 3.34Å; L174-V180 HydrophobicContact CD1-CG2 3.93Å; L174-V180 HydrophobicContact CD2-CG2 4.15Å; L174-V180 HydrophobicContact CG-CG2 3.6Å; L174-W182 HydrophobicContact CD2-CZ2 3.66Å; L174-W182 HydrophobicContact CG-CZ2 4.47Å |
| 175 | K | 75.9 | Confident | 74.9 | Confident | 187 Ų | 187 | 94.9 Ų | 94.9 | 81% | 0.813 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -93.3 | -21.9 | 169.9 | -177.5 | 168.7 | -179.6 | 171 | 0 | 112.9 | R171 R172 R173 | R171-K175 PolarHBondContact O-N 3.38Å; R172-K175 PolarHBondContact O-N 3.24Å; R173-K175 PolarHBondContact O-N 3.08Å; R173-K175 VanDerWaalsContact O-N 3.17Å |
| 176 | K | 71.8 | Confident | 72.3 | Confident | 194 Ų | 194 | 96.9 Ų | 96.9 | 84% | 0.843 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -90.9 | -35.9 | 179 | -174.9 | 174.4 | 179.5 | 177.8 | 0 | 112.5 | R172 R173 | R172-K176 PolarHBondContact O-N 3.19Å; R173-K176 WeakPolarHBondContact O-CA 3.21Å; R173-K176 PolarHBondContact O-N 3.09Å |
| 177 | E | 63.2 | Low | 69.8 | Low | 85 Ų | 85 | 103.8 Ų | 103.8 | 40% | 0.397 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -84.2 | 124.6 | 166 | 72.4 | -161.7 | 137.9 | 0 | 0 | 108.7 | R173 K179 | R173-E177 WeakPolarHBondContact O-CG 3.35Å; R173-E177 PolarHBondContact O-N 2.78Å; E177-K179 HydrophobicContact CB-CD 4.13Å; E177-K179 HydrophobicContact CB-CG 4.2Å; E177-K179 HydrophobicContact CG-CB 4.19Å; E177-K179 HydrophobicContact CG-CD 3.8Å; E177-K179 HydrophobicContact CG-CG 3.95Å; E177-K179 PolarHBondContact O-N 2.82Å; E177-K179 WeakPolarHBondContact OE2-CD 3.49Å |
| 178 | N | 53.9 | Low | 67.3 | Low | 137 Ų | 137 | 113 Ų | 113 | 73% | 0.733 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -78.7 | 53.3 | -172.6 | -163.6 | 12.8 | 0 | 0 | 0 | 112.4 | | |
| 179 | K | 61.5 | Low | 64.9 | Low | 130 Ų | 130 | 120.1 Ų | 120.1 | 57% | 0.565 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -107.6 | 10.4 | -172.1 | -58.9 | 179.1 | 77.4 | -82.2 | 0 | 113.3 | R139 E177 | R139-K179 PolarHBondContact NH2-O 3.11Å; E177-K179 HydrophobicContact CB-CD 4.13Å; E177-K179 HydrophobicContact CB-CG 4.2Å; E177-K179 HydrophobicContact CG-CB 4.19Å; E177-K179 HydrophobicContact CG-CD 3.8Å; E177-K179 HydrophobicContact CG-CG 3.95Å; E177-K179 PolarHBondContact O-N 2.82Å; E177-K179 WeakPolarHBondContact OE2-CD 3.49Å |
| 180 | V | 58.3 | Low | 62.3 | Low | 37 Ų | 37 | 119.9 Ų | 119.9 | 22% | 0.224 | 59% | 0.594 | C | S | . | * | | | trans | -168.1 | 115.4 | 168.2 | -110.1 | 0 | 0 | 0 | 0 | 108.4 | R139 L174 W182 | R139-V180 VanDerWaalsContact CZ-CG1 3.47Å; L174-V180 HydrophobicContact CD1-CG2 3.93Å; L174-V180 HydrophobicContact CD2-CG2 4.15Å; L174-V180 HydrophobicContact CG-CG2 3.6Å; V180-W182 HydrophobicContact CB-CD2 4.48Å; V180-W182 HydrophobicContact CB-CG 4.43Å; V180-W182 HydrophobicContact CB-CZ2 4.41Å; V180-W182 HydrophobicContact CG2-CZ2 4Å; V180-W182 PolarHBondContact O-N 3.28Å |
| 181 | T | 54.3 | Low | 59.8 | Low | 66 Ų | 66 | 128.6 Ų | 128.6 | 41% | 0.405 | 63% | 0.633 | S | S | . | * | | | trans | -83.8 | 91.8 | 166.9 | 44.8 | 0 | 0 | 0 | 0 | 109 | G183 R185 | T181-G183 PolarHBondContact O-N 2.86Å; T181-R185 HydrophobicContact CG2-CG 4.45Å; T181-R185 WeakPolarHBondContact OG1-CD 3.36Å |
| 182 | W | 53.8 | Low | 57.3 | Low | 97 Ų | 97 | 134 Ų | 134 | 37% | 0.367 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -69.4 | 59.9 | -177.8 | -66.3 | 92.3 | 0 | 0 | 0 | 113.8 | R139 P142 L174 V180 | R139-W182 WeakPolarHBondContact O-CH2 3.46Å; R139-W182 WeakPolarHBondContact O-CZ3 3.33Å; P142-W182 HydrophobicContact CB-CH2 3.65Å; P142-W182 HydrophobicContact CB-CZ2 4.13Å; P142-W182 HydrophobicContact CB-CZ3 4.34Å; P142-W182 HydrophobicContact CG-CE3 4.35Å; P142-W182 HydrophobicContact CG-CH2 3.37Å; P142-W182 HydrophobicContact CG-CZ2 3.74Å; P142-W182 HydrophobicContact CG-CZ3 3.7Å; L174-W182 HydrophobicContact CD2-CZ2 3.66Å; L174-W182 HydrophobicContact CG-CZ2 4.47Å; V180-W182 HydrophobicContact CB-CD2 4.48Å; V180-W182 HydrophobicContact CB-CG 4.43Å; V180-W182 HydrophobicContact CB-CZ2 4.41Å; V180-W182 HydrophobicContact CG2-CZ2 4Å; V180-W182 PolarHBondContact O-N 3.28Å |
| 183 | G | 51.8 | Low | 55.1 | Low | 71 Ų | 71 | 129.5 Ų | 129.5 | 73% | 0.732 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 162.8 | -24.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | T181 | T181-G183 PolarHBondContact O-N 2.86Š|
| 184 | N | 42.5 | Very low | 52.5 | Low | 151 Ų | 151 | 129.5 Ų | 129.5 | 81% | 0.807 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -144.8 | 45.8 | -163.8 | -143.2 | 107.6 | 0 | 0 | 0 | 116.4 | | |
| 185 | R | 43.4 | Very low | 50.8 | Low | 194 Ų | 194 | 136.8 Ų | 136.8 | 73% | 0.732 | 72% | 0.723 | S | S | * | * | | | trans | -140.6 | 59.6 | 169.1 | -70.4 | -166 | 178.8 | -127.4 | -2.8 | 112.2 | T181 | T181-R185 HydrophobicContact CG2-CG 4.45Å; T181-R185 WeakPolarHBondContact OG1-CD 3.36Å |
| 186 | S | 42.3 | Very low | 49.1 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 90% | 0.895 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -120.1 | 32.9 | 168.8 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 187 | K | 45.7 | Very low | 47.3 | Very low | 198 Ų | 198 | 131.4 Ų | 131.4 | 86% | 0.861 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -161.4 | 156.8 | 171.1 | -142.9 | 159.5 | -174.4 | 169.4 | 0 | 107.3 | | |
| 188 | E | 44.6 | Very low | 46.1 | Very low | 196 Ų | 196 | 133.2 Ų | 133.2 | 92% | 0.916 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 66 | 54.9 | 177.2 | -157.6 | 175.9 | -112.7 | 0 | 0 | 115.8 | | |
| 189 | D | 45.6 | Very low | 45.4 | Very low | 174 Ų | 174 | 130 Ų | 130 | 93% | 0.93 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -163.4 | 88.2 | 134.5 | -165.5 | 12.3 | 0 | 0 | 0 | 108.3 | | |
| 190 | G | 41.8 | Very low | 43.9 | Very low | 61 Ų | 61 | 131.7 Ų | 131.7 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 160.2 | 110.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 191 | E | 41.3 | Very low | 43.3 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | | | trans | 40.3 | 120.2 | 156 | 66.9 | -154.8 | 140.9 | 0 | 0 | 122.1 | | |
| 192 | D | 43 | Very low | 42.7 | Very low | 175 Ų | 175 | 140.2 Ų | 140.2 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | | | trans | -65.6 | 131.6 | 161.3 | -61.2 | -83.2 | 0 | 0 | 0 | 111.8 | | |
| 193 | G | 47.9 | Very low | 42.3 | Very low | 78 Ų | 78 | 144.7 Ų | 144.7 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | | | trans | 119.5 | 75.8 | 152.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 194 | N | 35.2 | Very low | 42.1 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | | | trans | -134.7 | 98.3 | 144.6 | -172.7 | 39.5 | 0 | 0 | 0 | 111.5 | F196 | N194-F196 PolarHBondContact O-N 2.89Š|
| 195 | L | 49 | Very low | 42 | Very low | 167 Ų | 167 | 148.9 Ų | 148.9 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | | | trans | -94 | 71.5 | -178 | -179.3 | 64.9 | 0 | 0 | 0 | 111 | | |
| 196 | F | 39.5 | Very low | 42.5 | Very low | 198 Ų | 198 | 145.7 Ų | 145.7 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | | | trans | -171.2 | 140.8 | 147.6 | -131 | -107.9 | 0 | 0 | 0 | 111.3 | N194 | N194-F196 PolarHBondContact O-N 2.89Š|
| 197 | G | 33.9 | Very low | 42.8 | Very low | 70 Ų | 70 | 147.3 Ų | 147.3 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | | | trans | 150.1 | 75.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 198 | S | 37.8 | Very low | 43.1 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | | | trans | -63.7 | 142.7 | 156.8 | -155.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 199 | G | 39.7 | Very low | 43.5 | Very low | 68 Ų | 68 | 146.6 Ų | 146.6 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | | | cis | 112 | 87 | 15.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 200 | D | 31.5 | Very low | 43.6 | Very low | 166 Ų | 166 | 147.6 Ų | 147.6 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | | | trans | -155.3 | 155.5 | 165.9 | -163.7 | 11 | 0 | 0 | 0 | 108.2 | | |
| 201 | E | 45.4 | Very low | 44 | Very low | 184 Ų | 184 | 151.3 Ų | 151.3 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | | | trans | -129.3 | 103.4 | -162.7 | -74.5 | -98.6 | 172.6 | 0 | 0 | 112.1 | | |
| 202 | A | 41.4 | Very low | 44.5 | Very low | 99 Ų | 99 | 146.8 Ų | 146.8 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -170.1 | 71.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K204 | A202-K204 PolarHBondContact O-N 3.17Š|
| 203 | E | 44.8 | Very low | 45.1 | Very low | 190 Ų | 190 | 145 Ų | 145 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | | | trans | -78 | 103.4 | 155.5 | -72.5 | -145.3 | 150.5 | 0 | 0 | 109 | N205 | E203-N205 PolarHBondContact O-N 3.45Å; E203-N205 PolarHBondContact O-ND2 3.27Å; E203-N205 VanDerWaalsContact O-ND2 3.09Å |
| 204 | K | 47.8 | Very low | 45.4 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 69% | 0.687 | 80% | 0.799 | S | S | * | * | | | trans | -70.5 | 124.1 | -179.1 | -164.8 | -172.5 | -177.5 | -158.2 | 0 | 109.1 | A202 E206 | A202-K204 PolarHBondContact O-N 3.17Å; K204-E206 HydrophobicContact CD-CG 4.43Å; K204-E206 WeakPolarHBondContact CE-OE1 3.38Å; K204-E206 HydrophobicContact CG-CG 4.46Å; K204-E206 IonicContact NZ-OE1 2.61Å; K204-E206 PolarHBondContact NZ-OE1 3.34Å; K204-E206 PolarHBondContact O-N 3.36Å; K204-E206 VanDerWaalsContact O-N 3.16Å |
| 205 | N | 41.6 | Very low | 46.1 | Very low | 153 Ų | 153 | 146.9 Ų | 146.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -82.2 | 97.7 | -178.3 | -75.2 | -114.2 | 0 | 0 | 0 | 109.5 | E203 | E203-N205 PolarHBondContact O-N 3.45Å; E203-N205 PolarHBondContact O-ND2 3.27Å; E203-N205 VanDerWaalsContact O-ND2 3.09Å |
| 206 | E | 52.7 | Low | 46.4 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 59% | 0.593 | 77% | 0.771 | S | S | * | * | | | trans | -126.2 | 119.6 | 163.6 | -60.2 | 173.8 | 158.6 | 0 | 0 | 101.7 | K204 | K204-E206 HydrophobicContact CD-CG 4.43Å; K204-E206 WeakPolarHBondContact CE-OE1 3.38Å; K204-E206 HydrophobicContact CG-CG 4.46Å; K204-E206 IonicContact NZ-OE1 2.61Å; K204-E206 PolarHBondContact NZ-OE1 3.34Å; K204-E206 PolarHBondContact O-N 3.36Å; K204-E206 VanDerWaalsContact O-N 3.16Å |
| 207 | D | 49.4 | Very low | 47.2 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | | | cis | -139 | 101.4 | 42.3 | -49.7 | -55.1 | 0 | 0 | 0 | 113.1 | | |
| 208 | E | 51 | Low | 48.5 | Very low | 197 Ų | 197 | 142.1 Ų | 142.1 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | | | trans | -103.8 | 64.5 | 166 | -76.4 | -164.9 | 160.1 | 0 | 0 | 111.3 | | |
| 209 | E | 54.3 | Low | 49.3 | Very low | 183 Ų | 183 | 144.1 Ų | 144.1 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | | | trans | -103.5 | 94.5 | 162.3 | -71.1 | -162.6 | 172.1 | 0 | 0 | 110.2 | I211 | E209-I211 PolarHBondContact O-N 3.45Å; E209-I211 VanDerWaalsContact O-N 3.1Å |
| 210 | E | 47 | Very low | 50 | Low | 195 Ų | 195 | 148 Ų | 148 | 91% | 0.911 | 75% | 0.752 | S | S | * | * | | | trans | -66.9 | 103.5 | 168.3 | -67.9 | -165.5 | 129.5 | 0 | 0 | 109.7 | D212 | E210-D212 PolarHBondContact O-N 3.21Š|
| 211 | I | 50.6 | Low | 51.1 | Low | 138 Ų | 138 | 145.7 Ų | 145.7 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | | | trans | -65.2 | 96.6 | 170.8 | 46.4 | 162.7 | 0 | 0 | 0 | 110.6 | E209 L213 | E209-I211 PolarHBondContact O-N 3.45Å; E209-I211 VanDerWaalsContact O-N 3.1Å; I211-L213 HydrophobicContact CD1-CD2 4.48Å; I211-L213 PolarHBondContact O-N 3.31Å |
| 212 | D | 51.2 | Low | 51.6 | Low | 100 Ų | 100 | 144.4 Ų | 144.4 | 54% | 0.535 | 74% | 0.737 | S | S | . | * | | | trans | -62.5 | 107.5 | 178.9 | 178.4 | 17.6 | 0 | 0 | 0 | 111.6 | E210 E214 S215 | E210-D212 PolarHBondContact O-N 3.21Å; D212-E214 PolarHBondContact O-N 3.22Å; D212-E214 WeakPolarHBondContact OD1-CB 3.48Å; D212-E214 PolarHBondContact OD1-N 3.4Å; D212-S215 PolarHBondContact O-N 3.25Å; D212-S215 PolarHBondContact O-OG 3.28Å |
| 213 | L | 56.1 | Low | 52.3 | Low | 137 Ų | 137 | 149 Ų | 149 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -5.2 | -178 | -60 | 178.8 | 0 | 0 | 0 | 113.5 | I211 S215 | I211-L213 HydrophobicContact CD1-CD2 4.48Å; I211-L213 PolarHBondContact O-N 3.31Å; L213-S215 VanDerWaalsContact C-N 3.33Å |
| 214 | E | 52.9 | Low | 52.5 | Low | 187 Ų | 187 | 146.9 Ų | 146.9 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -10.8 | 171.8 | -165 | 155.2 | -119 | 0 | 0 | 112.5 | D212 | D212-E214 PolarHBondContact O-N 3.22Å; D212-E214 WeakPolarHBondContact OD1-CB 3.48Å; D212-E214 PolarHBondContact OD1-N 3.4Å |
| 215 | S | 50.9 | Low | 52.6 | Low | 84 Ų | 84 | 147.3 Ų | 147.3 | 59% | 0.587 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -97.3 | -5.7 | -173.5 | 71.2 | 0 | 0 | 0 | 0 | 116.7 | D212 L213 D217 | D212-S215 PolarHBondContact O-N 3.25Å; D212-S215 PolarHBondContact O-OG 3.28Å; L213-S215 VanDerWaalsContact C-N 3.33Å; S215-D217 PolarHBondContact O-N 3.2Å |
| 216 | I | 55.3 | Low | 53.1 | Low | 103 Ų | 103 | 143 Ų | 143 | 53% | 0.528 | 74% | 0.738 | S | S | . | * | | | trans | -89.2 | 95 | -175.1 | -57.8 | 178.3 | 0 | 0 | 0 | 110.9 | I218 | I216-I218 PolarHBondContact O-N 3.39Š|
| 217 | D | 57 | Low | 53.1 | Low | 102 Ų | 102 | 143.4 Ų | 143.4 | 55% | 0.545 | 74% | 0.744 | S | S | . | * | | | trans | -59.3 | 95.2 | 166.4 | -82.7 | -21.2 | 0 | 0 | 0 | 110.4 | S215 D219 K220 | S215-D217 PolarHBondContact O-N 3.2Å; D217-D219 PolarHBondContact O-N 3.18Å; D217-K220 HydrophobicContact CB-CB 4.43Å; D217-K220 HydrophobicContact CB-CD 4.23Å; D217-K220 PolarHBondContact O-N 3.22Å; D217-K220 IonicContact OD2-NZ 2.87Å; D217-K220 PolarHBondContact OD2-NZ 3.26Å |
| 218 | I | 61 | Low | 52.7 | Low | 130 Ų | 130 | 145.5 Ų | 145.5 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -60.5 | -29.7 | 180 | -76.8 | 171.9 | 0 | 0 | 0 | 112.5 | I216 K220 | I216-I218 PolarHBondContact O-N 3.39Å; I218-K220 PolarHBondContact O-N 3.04Å; I218-K220 VanDerWaalsContact O-N 3.13Å |
| 219 | D | 53 | Low | 52.2 | Low | 164 Ų | 164 | 139.6 Ų | 139.6 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -72.5 | -1 | -176.9 | -60 | -29.5 | 0 | 0 | 0 | 114.1 | D217 | D217-D219 PolarHBondContact O-N 3.18Š|
| 220 | K | 55.3 | Low | 51.8 | Low | 151 Ų | 151 | 138 Ų | 138 | 66% | 0.657 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -102.2 | -0.8 | -178.3 | -103 | 172.9 | -167.2 | 146.7 | 0 | 115.5 | D217 I218 | D217-K220 HydrophobicContact CB-CB 4.43Å; D217-K220 HydrophobicContact CB-CD 4.23Å; D217-K220 PolarHBondContact O-N 3.22Å; D217-K220 IonicContact OD2-NZ 2.87Å; D217-K220 PolarHBondContact OD2-NZ 3.26Å; I218-K220 PolarHBondContact O-N 3.04Å; I218-K220 VanDerWaalsContact O-N 3.13Å |
| 221 | I | 55.3 | Low | 51.4 | Low | 117 Ų | 117 | 137.5 Ų | 137.5 | 60% | 0.6 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -84.7 | -19 | -169.9 | -59 | 172.3 | 0 | 0 | 0 | 112.1 | E223 | I221-E223 PolarHBondContact O-N 3.27Š|
| 222 | D | 55 | Low | 51.2 | Low | 157 Ų | 157 | 137.9 Ų | 137.9 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -16.6 | -171 | -148.9 | 46.2 | 0 | 0 | 0 | 114.5 | | |
| 223 | E | 56 | Low | 50.8 | Low | 196 Ų | 196 | 141 Ų | 141 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -0.2 | -173.7 | -65.8 | -165.7 | 153 | 0 | 0 | 115.2 | I221 | I221-E223 PolarHBondContact O-N 3.27Š|
| 224 | N | 48 | Very low | 50.1 | Low | 144 Ų | 144 | 141.5 Ų | 141.5 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | | | trans | -111.6 | 11.6 | -176 | -156.4 | 102.8 | 0 | 0 | 0 | 114.2 | G226 | N224-G226 VanDerWaalsContact C-N 3.3Å; N224-G226 PolarHBondContact O-N 3.45Å |
| 225 | D | 51.6 | Low | 49.7 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | | | trans | -94.9 | 49.8 | 179.3 | -146.9 | 6.5 | 0 | 0 | 0 | 111.7 | | |
| 226 | G | 52.1 | Low | 49.2 | Very low | 62 Ų | 62 | 144.6 Ų | 144.6 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -148.6 | 123.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | N224 | N224-G226 VanDerWaalsContact C-N 3.3Å; N224-G226 PolarHBondContact O-N 3.45Å |
| 227 | D | 51.3 | Low | 48.3 | Very low | 137 Ų | 137 | 144.7 Ų | 144.7 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | | | trans | 43.1 | 90.5 | 174.1 | -83.5 | -61.3 | 0 | 0 | 0 | 118.1 | S229 | D227-S229 WeakPolarHBondContact OD1-CB 3.48Å; D227-S229 PolarHBondContact OD1-OG 3.45Å |
| 228 | Q | 41.9 | Very low | 47.3 | Very low | 205 Ų | 205 | 145.8 Ų | 145.8 | 96% | 0.958 | 78% | 0.775 | S | S | * | * | | | trans | -106.7 | 69.7 | 133.5 | -68.3 | -156.4 | -26.9 | 0 | 0 | 109.3 | | |
| 229 | S | 40.9 | Very low | 46 | Very low | 72 Ų | 72 | 148.6 Ų | 148.6 | 50% | 0.503 | 79% | 0.785 | S | S | . | * | | | trans | -64.9 | 145.4 | 165.7 | 15.9 | 0 | 0 | 0 | 0 | 110.2 | D227 E231 | D227-S229 WeakPolarHBondContact OD1-CB 3.48Å; D227-S229 PolarHBondContact OD1-OG 3.45Å; S229-E231 PolarHBondContact O-N 3.31Å |
| 230 | N | 46.3 | Very low | 44.9 | Very low | 150 Ų | 150 | 144.2 Ų | 144.2 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | | | trans | -88.3 | 92 | -170.3 | -177.1 | 110.3 | 0 | 0 | 0 | 110.7 | | |
| 231 | E | 38.4 | Very low | 43.8 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | -112.9 | 111.7 | 172.7 | -63.1 | -164.6 | 169.9 | 0 | 0 | 111.1 | S229 | S229-E231 PolarHBondContact O-N 3.31Š|
| 232 | D | 45.3 | Very low | 42.7 | Very low | 146 Ų | 146 | 147 Ų | 147 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | | | trans | -83 | 134.6 | 166.2 | -127.1 | -44.6 | 0 | 0 | 0 | 107.4 | | |
| 233 | D | 43.2 | Very low | 41.6 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | | | trans | -153.2 | 139.5 | 165.2 | -141.3 | -11.7 | 0 | 0 | 0 | 111.8 | | |
| 234 | D | 42 | Very low | 40.6 | Very low | 146 Ų | 146 | 146.3 Ų | 146.3 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | | | trans | -96.4 | 156.8 | -159 | -106.5 | -46.3 | 0 | 0 | 0 | 114.6 | | |
| 235 | D | 43.9 | Very low | 40 | Very low | 144 Ų | 144 | 150.2 Ų | 150.2 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | | | trans | 36.6 | 114.5 | 149.3 | -129.9 | -14.8 | 0 | 0 | 0 | 120.6 | | |
| 236 | K | 40.2 | Very low | 39 | Very low | 192 Ų | 192 | 145.7 Ų | 145.7 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | -144.2 | 98.7 | 151.1 | -162.7 | 167.4 | -170.3 | 169 | 0 | 114.4 | | |
| 237 | S | 37.8 | Very low | 38 | Very low | 105 Ų | 105 | 147.8 Ų | 147.8 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | -74.1 | 124.2 | 169.2 | 50 | 0 | 0 | 0 | 0 | 112.7 | | |
| 238 | T | 35.2 | Very low | 37.3 | Very low | 126 Ų | 126 | 149.5 Ų | 149.5 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -142.4 | 123.2 | 150.1 | -47.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 239 | E | 32.9 | Very low | 36.8 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -44.6 | 141 | 170.2 | -174.8 | 172.2 | -164.4 | 0 | 0 | 116 | | |
| 240 | G | 31.3 | Very low | 36.4 | Very low | 73 Ų | 73 | 145 Ų | 145 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | trans | -167.8 | 99 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 241 | S | 31.6 | Very low | 36.3 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | | | trans | -66.2 | 148.1 | -178.3 | -43.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 242 | R | 33.2 | Very low | 36 | Very low | 214 Ų | 214 | 139.2 Ų | 139.2 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | | | | -170.1 | 116.8 | 118.9 | -105.8 | -170.6 | 164.3 | 105.9 | 5 | 116.7 | | |
| 243 | E | 31.8 | Very low | 35.5 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | | | trans | 22.7 | 114 | 143.3 | 62.8 | -160.5 | 127.2 | 0 | 0 | 121 | | |
| 244 | H | 34.9 | Very low | 35 | Very low | 189 Ų | 189 | 140.9 Ų | 140.9 | 88% | 0.875 | 82% | 0.815 | S | S | * | * | | | trans | -131.8 | 140.3 | 149.5 | -144.6 | 70.2 | 0 | 0 | 0 | 113.2 | | |
| 245 | R | 35.6 | Very low | 34.8 | Very low | 226 Ų | 226 | 141 Ų | 141 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | trans | -73.9 | 149.6 | 175.4 | -124.8 | 166.3 | -77.4 | -156.6 | -5.4 | 109 | | |
| 246 | G | 30.3 | Very low | 34.4 | Very low | 72 Ų | 72 | 139.4 Ų | 139.4 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | | | cis | 119.5 | 73.8 | 5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 247 | S | 30.9 | Very low | 34.3 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | | | trans | -158.7 | 110.8 | 170.5 | -176.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 248 | L | 36.1 | Very low | 34.5 | Very low | 172 Ų | 172 | 141.5 Ų | 141.5 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | | | trans | 24.4 | 128.2 | 140.2 | -49.5 | 171.8 | 0 | 0 | 0 | 119.6 | | |
| 249 | G | 30.2 | Very low | 34.7 | Very low | 80 Ų | 80 | 145 Ų | 145 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | | | cis | 140.6 | 130.4 | -9.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 250 | A | 33.4 | Very low | 35.1 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | | | trans | -168.6 | 148.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 251 | P | 43.4 | Very low | 35.5 | Very low | 137 Ų | 137 | 155.5 Ų | 155.5 | 89% | 0.89 | 83% | 0.834 | S | S | * | * | | | trans | -110.1 | 156.3 | -172.5 | 39.5 | -33 | 0 | 0 | 0 | 115.9 | | |
| 252 | G | 32.6 | Very low | 35.6 | Very low | 75 Ų | 75 | 154.2 Ų | 154.2 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | | | trans | -175.3 | 137.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 253 | D | 35.1 | Very low | 35.5 | Very low | 170 Ų | 170 | 154.3 Ų | 154.3 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | | | trans | 40.4 | 109.6 | 173.2 | -70.7 | -17.2 | 0 | 0 | 0 | 121.8 | | |
| 254 | L | 33.5 | Very low | 35.6 | Very low | 178 Ų | 178 | 151.8 Ų | 151.8 | 93% | 0.932 | 84% | 0.843 | S | S | * | * | | | trans | -108.2 | 118.2 | 149.7 | -75.2 | 165 | 0 | 0 | 0 | 108.6 | | |
| 255 | D | 36.1 | Very low | 35.4 | Very low | 149 Ų | 149 | 151 Ų | 151 | 80% | 0.797 | 84% | 0.844 | S | S | * | * | | | trans | 175.5 | 110.2 | 135.7 | -176.9 | 21.8 | 0 | 0 | 0 | 110.8 | | |
| 256 | S | 37.3 | Very low | 35.2 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 76% | 0.762 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -178 | -28.2 | 165.4 | -92.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 257 | L | 38.1 | Very low | 35.1 | Very low | 165 Ų | 165 | 150 Ų | 150 | 86% | 0.864 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -90.9 | -7.2 | -163 | -143.4 | 98.9 | 0 | 0 | 0 | 115.8 | K259 | L257-K259 VanDerWaalsContact C-N 3.34Å; L257-K259 PolarHBondContact O-N 2.98Å |
| 258 | E | 40.2 | Very low | 35 | Very low | 177 Ų | 177 | 152.5 Ų | 152.5 | 83% | 0.827 | 84% | 0.844 | S | S | * | * | G | 310 helix | trans | -76.4 | -21.4 | -175 | -166.6 | 149.8 | -158.6 | 0 | 0 | 113.1 | R260 | E258-R260 VanDerWaalsContact C-N 3.3Å; E258-R260 PolarHBondContact O-N 2.99Å; E258-R260 VanDerWaalsContact O-N 3.12Å |
| 259 | K | 40.2 | Very low | 34.7 | Very low | 199 Ų | 199 | 152.3 Ų | 152.3 | 87% | 0.865 | 84% | 0.839 | S | S | * | * | G | 310 helix | trans | -81.4 | 13.9 | -168.6 | -152.3 | 170.3 | -177.8 | 172.8 | 0 | 116.2 | L257 | L257-K259 VanDerWaalsContact C-N 3.34Å; L257-K259 PolarHBondContact O-N 2.98Å |
| 260 | R | 42 | Very low | 34.6 | Very low | 237 Ų | 237 | 152.9 Ų | 152.9 | 89% | 0.894 | 84% | 0.835 | S | S | * | * | G | 310 helix | trans | -127.3 | 8.8 | 179.2 | -65.2 | -143.7 | -59.5 | -101.6 | 4.7 | 116.2 | E258 | E258-R260 VanDerWaalsContact C-N 3.3Å; E258-R260 PolarHBondContact O-N 2.99Å; E258-R260 VanDerWaalsContact O-N 3.12Å |
| 261 | R | 38.3 | Very low | 34.3 | Very low | 244 Ų | 244 | 157.2 Ų | 157.2 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -99.7 | 15.7 | -176 | -148.4 | 174.6 | -173.7 | 156.5 | 3.1 | 115.4 | | |
| 262 | A | 33.4 | Very low | 33.6 | Very low | 86 Ų | 86 | 156.6 Ų | 156.6 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | | | trans | -130 | 41.3 | -164.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 263 | F | 32.7 | Very low | 33.4 | Very low | 215 Ų | 215 | 160.4 Ų | 160.4 | 94% | 0.943 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -151.9 | 89.9 | 169.1 | -93 | -76.2 | 0 | 0 | 0 | 111.3 | | |
| 264 | A | 32.6 | Very low | 33.2 | Very low | 98 Ų | 98 | 157 Ų | 157 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | | | trans | 158.9 | 74.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 265 | L | 31 | Very low | 33.1 | Very low | 173 Ų | 173 | 157.4 Ų | 157.4 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | | | trans | -145.6 | 106.9 | 161.6 | -77.1 | -179.2 | 0 | 0 | 0 | 109.6 | | |
| 266 | Q | 31.2 | Very low | 32.6 | Very low | 189 Ų | 189 | 155.2 Ų | 155.2 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | | | trans | -162.5 | 143.3 | 174.2 | -158.4 | 79.7 | 75.4 | 0 | 0 | 110.2 | | |
| 267 | A | 28.5 | Very low | 32.1 | Very low | 87 Ų | 87 | 155.8 Ų | 155.8 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | | | trans | 71.1 | 102.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 268 | H | 30 | Very low | 31.6 | Very low | 158 Ų | 158 | 155.4 Ų | 155.4 | 73% | 0.731 | 79% | 0.79 | S | S | * | * | | | | 52.1 | 108.2 | 70.2 | -80.6 | -76.4 | 0 | 0 | 0 | 113.3 | | |
| 269 | E | 28.1 | Very low | 30.9 | Very low | 169 Ų | 169 | 151.9 Ų | 151.9 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | | 73.8 | 126 | 67.7 | -77.2 | -163.8 | 134.3 | 0 | 0 | 115.2 | | |
| 270 | A | 29.2 | Very low | 30.3 | Very low | 91 Ų | 91 | 147.8 Ų | 147.8 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | | | | 170.5 | 157 | 124 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 271 | F | 26.9 | Very low | 29.7 | Very low | 196 Ų | 196 | 144.4 Ų | 144.4 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | | | trans | 68.8 | 146.9 | 160.8 | -106.7 | -109 | 0 | 0 | 0 | 119.4 | | |
| 272 | E | 29.3 | Very low | 29.2 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 58% | 0.575 | 76% | 0.764 | S | S | * | * | | | cis | -168.2 | 127.4 | -47.1 | -118.3 | -123.1 | 124.3 | 0 | 0 | 107.4 | | |
| 273 | K | 27.3 | Very low | 28.9 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | | | trans | 51.7 | 121.4 | 132.2 | 169.1 | -171.3 | 175.6 | -176 | 0 | 121 | | |
| 274 | S | 31.6 | Very low | 28.8 | Very low | 97 Ų | 97 | 130.6 Ų | 130.6 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | | -176.3 | 136.2 | 117.4 | -86.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 275 | K | 30.8 | Very low | 28.8 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | trans | 57.4 | 112.9 | 151.1 | -60.6 | 169.8 | -176.2 | 173.5 | 0 | 118 | | |
| 276 | S | 25.4 | Very low | 28.9 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | | 72.7 | 121.5 | 52.9 | 81.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 277 | V | 27.3 | Very low | 29.1 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | | | trans | 164.2 | 110.3 | 130 | 152.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 278 | M | 27.5 | Very low | 29.4 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 78% | 0.778 | 74% | 0.743 | S | S | * | * | | | trans | 58.6 | 137.6 | 152.3 | -49.6 | -55.1 | 112.8 | 0 | 0 | 119.5 | | |
| 279 | S | 24.8 | Very low | 29.6 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | | | | 71.1 | 131.2 | 50.6 | -137.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 280 | V | 28.4 | Very low | 29.9 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | | | cis | -165.4 | 171.8 | 16.8 | 76.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 281 | H | 29.4 | Very low | 30.3 | Very low | 166 Ų | 166 | 129.1 Ų | 129.1 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | | | trans | 70.4 | 138.2 | 166.4 | -77.2 | 63.1 | 0 | 0 | 0 | 118.1 | | |
| 282 | A | 27.4 | Very low | 30.9 | Very low | 95 Ų | 95 | 125.1 Ų | 125.1 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | | | cis | 107.1 | 131.3 | 3.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 283 | G | 28.6 | Very low | 31.2 | Very low | 88 Ų | 88 | 125.6 Ų | 125.6 | 91% | 0.907 | 74% | 0.738 | S | S | * | * | | | trans | 94.7 | 137.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 284 | G | 29.8 | Very low | 31.5 | Very low | 71 Ų | 71 | 123.7 Ų | 123.7 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | | | cis | -134.5 | 170.7 | -9.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 285 | K | 32.7 | Very low | 31.6 | Very low | 195 Ų | 195 | 124.9 Ų | 124.9 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | | | | 50.7 | 131.1 | 68.9 | -95.6 | -168.2 | 175.5 | -169.8 | 0 | 113.1 | | |
| 286 | E | 33 | Very low | 32.1 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | | | cis | -166.8 | 158.9 | 19.8 | 55.3 | -160.9 | 68.1 | 0 | 0 | 114.8 | | |
| 287 | N | 34.4 | Very low | 32.4 | Very low | 136 Ų | 136 | 129.3 Ų | 129.3 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | 63.4 | 150.1 | 154.7 | -53 | -17.1 | 0 | 0 | 0 | 118.8 | | |
| 288 | S | 36.4 | Very low | 32.7 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | | | cis | -155.5 | 166 | -11 | -119.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 289 | D | 33 | Very low | 32.9 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | trans | -19.4 | 153.1 | 146.7 | -31 | -95.5 | 0 | 0 | 0 | 115.8 | | |
| 290 | G | 34.9 | Very low | 34.2 | Very low | 68 Ų | 68 | 130 Ų | 130 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | cis | 153.9 | 130.1 | 2.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 291 | N | 37.3 | Very low | 34.3 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | | | trans | 68.9 | 155.5 | 134 | -156.4 | 16.8 | 0 | 0 | 0 | 121.1 | | |
| 292 | N | 38.6 | Very low | 34.7 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 59% | 0.594 | 78% | 0.775 | S | S | * | * | | | trans | 49.7 | 138.2 | 153.5 | 66.7 | -109.9 | 0 | 0 | 0 | 121.7 | | |
| 293 | N | 36.5 | Very low | 35.4 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | | | cis | -174.9 | -171.7 | -4.8 | 52.1 | 24 | 0 | 0 | 0 | 111 | | |
| 294 | T | 34.3 | Very low | 35.5 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | | | trans | 82.8 | 102.3 | 147.8 | -54.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 295 | T | 34.2 | Very low | 35.8 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | -46.3 | 141.3 | 157.3 | -36.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 296 | R | 39.3 | Very low | 36 | Very low | 238 Ų | 238 | 136.9 Ų | 136.9 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | | | | 143.5 | 131.6 | 129.5 | -79.9 | 177.2 | -173.4 | -149.1 | 1.1 | 112.9 | | |
| 297 | V | 33.1 | Very low | 36.4 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | | | trans | -168.2 | 164.7 | 138.7 | 134.2 | 0 | 0 | 0 | 0 | 109 | | |
| 298 | L | 33.9 | Very low | 36.5 | Very low | 166 Ų | 166 | 136 Ų | 136 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | | | trans | -95.5 | 153.7 | -166.7 | -62.7 | 146.3 | 0 | 0 | 0 | 113.4 | | |
| 299 | S | 30.2 | Very low | 36.5 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | -76.1 | 174.7 | 156.7 | -51.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 300 | P | 53.5 | Low | 36.7 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | | | cis | -135.7 | 171.2 | 5.4 | 42.6 | -26.8 | 0 | 0 | 0 | 116.2 | | |
| 301 | D | 28.9 | Very low | 36.8 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | | | | -159.4 | 170.8 | 127.4 | -130.9 | -37.6 | 0 | 0 | 0 | 113.4 | | |
| 302 | R | 37.7 | Very low | 36.7 | Very low | 212 Ų | 212 | 138.3 Ų | 138.3 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | | | trans | -115.7 | 163.9 | -176.3 | -141.4 | 157.2 | 178.5 | -100.6 | -2.6 | 108.9 | | |
| 303 | P | 42 | Very low | 37.1 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | | | cis | -142 | 160.1 | 19.3 | 42.4 | -22.9 | 0 | 0 | 0 | 119.5 | | |
| 304 | G | 31.9 | Very low | 37.6 | Very low | 67 Ų | 67 | 140.4 Ų | 140.4 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | trans | -161 | 148.7 | 165 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 305 | S | 36.4 | Very low | 38.5 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -101.5 | 134.3 | -179.5 | -179 | 0 | 0 | 0 | 0 | 111 | | |
| 306 | F | 35.8 | Very low | 39.5 | Very low | 202 Ų | 202 | 143.9 Ų | 143.9 | 89% | 0.886 | 79% | 0.786 | S | S | * | * | | | trans | -170.1 | 164.1 | 145 | -88.9 | -48.4 | 0 | 0 | 0 | 109.7 | | |
| 307 | P | 42.3 | Very low | 40.1 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | -89.4 | 159 | -153.9 | 34.8 | -38.4 | 0 | 0 | 0 | 116.1 | | |
| 308 | L | 35.6 | Very low | 40.8 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | trans | -105.2 | 120.3 | 175.9 | 175.6 | 71.1 | 0 | 0 | 0 | 111.2 | | |
| 309 | P | 36.6 | Very low | 41.8 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | | | trans | -85.3 | 124.8 | 155 | 32.5 | -27.6 | 0 | 0 | 0 | 109.2 | | |
| 310 | S | 37.1 | Very low | 43.2 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | | | trans | -134.8 | 163.2 | 176.2 | 67.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 311 | N | 37.2 | Very low | 42.9 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 61% | 0.61 | 78% | 0.775 | S | S | * | * | | | trans | 74.3 | 63.4 | 170.9 | -164.3 | 28.4 | 0 | 0 | 0 | 117.4 | K313 | N311-K313 PolarHBondContact O-N 3.47Å; N311-K313 WeakPolarHBondContact OD1-CD 3.49Å; N311-K313 WeakPolarHBondContact OD1-CG 3.35Å |
| 312 | N | 34.8 | Very low | 43.7 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 95% | 0.947 | 78% | 0.776 | S | S | * | * | | | trans | -80.2 | 100.9 | 153.2 | -85.2 | -11.1 | 0 | 0 | 0 | 109.9 | | |
| 313 | K | 48.6 | Very low | 43.7 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 71% | 0.709 | 77% | 0.772 | S | S | * | * | | | trans | -116.3 | 137.5 | 163.9 | -75.1 | 177.7 | -177.2 | -177.2 | 0 | 109 | N311 K315 | N311-K313 PolarHBondContact O-N 3.47Å; N311-K313 WeakPolarHBondContact OD1-CD 3.49Å; N311-K313 WeakPolarHBondContact OD1-CG 3.35Å; K313-K315 PolarHBondContact O-N 3.25Å |
| 314 | P | 46 | Very low | 43.7 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -64.1 | 110.4 | 178.6 | 25.9 | -33.2 | 0 | 0 | 0 | 110 | I316 | P314-I316 PolarHBondContact O-N 3.48Š|
| 315 | K | 52.8 | Low | 43.6 | Very low | 166 Ų | 166 | 140 Ų | 140 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | trans | -82.8 | 99.8 | -169.3 | -160.8 | 175.2 | -177.6 | -174.9 | 0 | 110.8 | K313 W317 | K313-K315 PolarHBondContact O-N 3.25Å; K315-W317 PolarHBondContact O-N 3.05Å |
| 316 | I | 55 | Low | 44.3 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | | | trans | -69.7 | 113 | -179.9 | -51 | 169.6 | 0 | 0 | 0 | 109.5 | P314 | P314-I316 PolarHBondContact O-N 3.48Š|
| 317 | W | 51.7 | Low | 44.1 | Very low | 244 Ų | 244 | 139 Ų | 139 | 92% | 0.924 | 79% | 0.785 | S | S | * | * | | | trans | 43.3 | 74.2 | 159.6 | -65.3 | 61.9 | 0 | 0 | 0 | 116 | K315 | K315-W317 PolarHBondContact O-N 3.05Š|
| 318 | S | 48.5 | Very low | 43.6 | Very low | 82 Ų | 82 | 138.1 Ų | 138.1 | 57% | 0.573 | 78% | 0.782 | S | S | * | * | | | trans | -108.8 | 111.8 | 165.4 | -55.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 319 | L | 55.8 | Low | 43.6 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | | | trans | -113.5 | 66.4 | -173.2 | -158.1 | 145.2 | 0 | 0 | 0 | 110.8 | | |
| 320 | A | 58.7 | Low | 43.5 | Very low | 88 Ų | 88 | 135.8 Ų | 135.8 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -159.7 | 162.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 321 | E | 48.2 | Very low | 43.4 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | | | trans | 104.4 | 35.8 | 176 | -55.8 | -175.9 | 131 | 0 | 0 | 118.9 | | |
| 322 | T | 44.5 | Very low | 43.3 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | | | trans | -140.4 | 91.4 | 154.4 | 57 | 0 | 0 | 0 | 0 | 112.5 | | |
| 323 | A | 39 | Very low | 43.8 | Very low | 88 Ų | 88 | 141.1 Ų | 141.1 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -155.3 | 147 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 324 | T | 40.5 | Very low | 43 | Very low | 151 Ų | 151 | 139 Ų | 139 | 93% | 0.926 | 80% | 0.798 | S | S | * | * | | | trans | 67.5 | 141.9 | -160.3 | 76.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 325 | S | 30.8 | Very low | 42.8 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | cis | -136.1 | 171.3 | 2.7 | 58.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 326 | P | 50.6 | Low | 42.5 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | trans | -106.4 | 154.9 | -176.2 | 38.6 | -32.1 | 0 | 0 | 0 | 114.7 | | |
| 327 | D | 31.2 | Very low | 41.4 | Very low | 161 Ų | 161 | 136 Ų | 136 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | | | trans | -159.5 | 171.1 | 134.7 | -161 | 9.6 | 0 | 0 | 0 | 110.6 | | |
| 328 | S | 32.9 | Very low | 40.7 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | trans | -144.8 | 126.5 | -169.6 | 61.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 329 | S | 34.4 | Very low | 40.7 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | | | trans | -168.3 | 151.1 | 161.5 | 53.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 330 | S | 34.5 | Very low | 39.6 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | | | cis | -161.2 | -178.7 | -13.3 | 53.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 331 | Q | 34.8 | Very low | 38.4 | Very low | 193 Ų | 193 | 126 Ų | 126 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | | | trans | 87.4 | 143.4 | 166.1 | -50.7 | -158.2 | 15.5 | 0 | 0 | 120 | | |
| 332 | K | 35.6 | Very low | 37.6 | Very low | 195 Ų | 195 | 124.8 Ų | 124.8 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | | | trans | -169.4 | 168.1 | -178 | -159.5 | -155.4 | 174.5 | -177.1 | 0 | 106.3 | | |
| 333 | P | 46.2 | Very low | 37.2 | Very low | 109 Ų | 109 | 122.2 Ų | 122.2 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | | | | -106.2 | 171.8 | -76.4 | 38 | -25.6 | 0 | 0 | 0 | 112.3 | | |
| 334 | S | 31.6 | Very low | 37 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -153.6 | 139.1 | 152.3 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 335 | S | 41.9 | Very low | 36.9 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -95.6 | 164.8 | 159.1 | -47.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 336 | P | 45.5 | Very low | 37.9 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -130.9 | 152.2 | 140.5 | 33.5 | -22 | 0 | 0 | 0 | 113.5 | | |
| 337 | C | 32 | Very low | 37.2 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | | | trans | -98.5 | 171.4 | 162.5 | -164.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 338 | A | 37.3 | Very low | 37.5 | Very low | 88 Ų | 88 | 122.2 Ų | 122.2 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | -73.6 | 163.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 339 | P | 48.3 | Very low | 38.4 | Very low | 128 Ų | 128 | 122 Ų | 122 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | | | | -128.7 | 164 | 125 | 37.6 | -30.1 | 0 | 0 | 0 | 111.8 | | |
| 340 | G | 32.3 | Very low | 38.6 | Very low | 72 Ų | 72 | 124.9 Ų | 124.9 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | cis | 164.6 | -165.9 | -3.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 341 | A | 33.5 | Very low | 38.8 | Very low | 89 Ų | 89 | 127.6 Ų | 127.6 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | trans | 90.5 | 120.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 342 | N | 32.5 | Very low | 38.9 | Very low | 156 Ų | 156 | 125.1 Ų | 125.1 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | | | trans | 71 | 143.5 | 143.4 | -57.3 | -5.7 | 0 | 0 | 0 | 121.1 | | |
| 343 | S | 34.9 | Very low | 39.1 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | | | cis | -170.9 | 143.8 | -17.3 | 51 | 0 | 0 | 0 | 0 | 113.7 | | |
| 344 | N | 34.8 | Very low | 38.9 | Very low | 151 Ų | 151 | 123.5 Ų | 123.5 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | | | trans | 68.3 | 107.7 | 149.4 | -57.9 | -8.6 | 0 | 0 | 0 | 123.2 | | |
| 345 | H | 39.7 | Very low | 39.3 | Very low | 182 Ų | 182 | 126.4 Ų | 126.4 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | | | | 58.1 | 151.2 | 111 | -135.9 | -124.1 | 0 | 0 | 0 | 121.5 | | |
| 346 | P | 51 | Low | 39.7 | Very low | 91 Ų | 91 | 126.6 Ų | 126.6 | 59% | 0.591 | 76% | 0.761 | S | S | * | * | | | cis | -135.1 | -169.8 | -33.1 | 38.8 | -21.3 | 0 | 0 | 0 | 115.5 | | |
| 347 | S | 36 | Very low | 39.1 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | | | trans | 95.7 | 130.1 | 149.6 | -63.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 348 | A | 38.3 | Very low | 39.8 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | | | trans | -111.7 | 178.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 349 | P | 52.3 | Low | 40.4 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 63% | 0.63 | 77% | 0.767 | S | S | * | * | | | cis | -127.6 | 179 | 2.9 | 42 | -26.9 | 0 | 0 | 0 | 114.2 | | |
| 350 | H | 38.6 | Very low | 40.2 | Very low | 176 Ų | 176 | 131.5 Ų | 131.5 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | | | | -179.1 | 163.7 | 119.1 | -92.3 | -64.9 | 0 | 0 | 0 | 112.4 | | |
| 351 | Q | 38.3 | Very low | 40.6 | Very low | 159 Ų | 159 | 133 Ų | 133 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | trans | -71.9 | 150.3 | -160.3 | -85.2 | 170.1 | -63.3 | 0 | 0 | 119 | | |
| 352 | I | 36.8 | Very low | 41 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | | | trans | 87.4 | 145.2 | 135.1 | -72.7 | 165.8 | 0 | 0 | 0 | 120.9 | | |
| 353 | Q | 38.8 | Very low | 41.4 | Very low | 167 Ų | 167 | 134 Ų | 134 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | | | trans | 82.5 | 83.9 | 163.7 | -89.3 | 174.6 | 0.5 | 0 | 0 | 122.5 | | |
| 354 | T | 41.8 | Very low | 41.6 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 64% | 0.638 | 78% | 0.778 | S | S | * | * | | | | 66.1 | 111.1 | 117.1 | 52.8 | 0 | 0 | 0 | 0 | 123 | | |
| 355 | H | 41.6 | Very low | 41.7 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | | | trans | 79.9 | 136.5 | 144.8 | -56.5 | -53.4 | 0 | 0 | 0 | 120.2 | | |
| 356 | P | 49.1 | Very low | 41.7 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | trans | -114 | 177.8 | -168.6 | 44.1 | -37.1 | 0 | 0 | 0 | 116.1 | | |
| 357 | A | 34.2 | Very low | 41.3 | Very low | 96 Ų | 96 | 138.7 Ų | 138.7 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | | | trans | 76.1 | 91.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 358 | F | 45.7 | Very low | 41.7 | Very low | 201 Ų | 201 | 141.3 Ų | 141.3 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | | | trans | -69.3 | 146.2 | 136.1 | -80.6 | -99.8 | 0 | 0 | 0 | 110.1 | | |
| 359 | L | 49.6 | Very low | 41.6 | Very low | 169 Ų | 169 | 144.9 Ų | 144.9 | 89% | 0.885 | 78% | 0.783 | S | S | * | * | | | | -156.2 | 158.2 | 122.4 | -85.7 | -163 | 0 | 0 | 0 | 109.7 | | |
| 360 | P | 44.6 | Very low | 40.8 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | | | trans | -117 | -178.7 | -162.8 | 38.7 | -25.4 | 0 | 0 | 0 | 115.9 | | |
| 361 | S | 40.8 | Very low | 41.3 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | 63.9 | 115.3 | 172.9 | 69 | 0 | 0 | 0 | 0 | 118.2 | | |
| 362 | H | 40.8 | Very low | 41.6 | Very low | 191 Ų | 191 | 146 Ų | 146 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | | | | -151.2 | 146.6 | 101.5 | -90.2 | -72.6 | 0 | 0 | 0 | 108 | | |
| 363 | G | 42 | Very low | 41.6 | Very low | 77 Ų | 77 | 148.4 Ų | 148.4 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | -85.5 | 144 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 364 | L | 39.3 | Very low | 41.7 | Very low | 171 Ų | 171 | 146.9 Ų | 146.9 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | | | trans | -120.1 | 125 | 166.1 | -69 | 177.1 | 0 | 0 | 0 | 109.6 | | |
| 365 | Y | 36.7 | Very low | 41.9 | Very low | 221 Ų | 221 | 152.4 Ų | 152.4 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | | | trans | -88.7 | 116.5 | -175 | -166 | -106.4 | 0 | 0 | 0 | 109.9 | C367 | Y365-C367 VanDerWaalsContact CD1-SG 3.55Å; Y365-C367 WeakPolarHBondContact CE1-SG 3.44Å |
| 366 | T | 39.8 | Very low | 41.6 | Very low | 121 Ų | 121 | 149 Ų | 149 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | trans | -100.1 | 92 | -176.3 | 59.6 | 0 | 0 | 0 | 0 | 111.8 | Q368 | T366-Q368 PolarHBondContact O-N 3.36Š|
| 367 | C | 42.3 | Very low | 40.9 | Very low | 98 Ų | 98 | 150.5 Ų | 150.5 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | | | trans | -71.1 | 115.9 | 172.1 | -66.4 | 0 | 0 | 0 | 0 | 111.1 | Y365 | Y365-C367 VanDerWaalsContact CD1-SG 3.55Å; Y365-C367 WeakPolarHBondContact CE1-SG 3.44Å |
| 368 | Q | 44.4 | Very low | 41.1 | Very low | 174 Ų | 174 | 149.7 Ų | 149.7 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | -101.3 | 84.6 | 173.7 | -76 | -76.8 | 13.5 | 0 | 0 | 111 | T366 | T366-Q368 PolarHBondContact O-N 3.36Š|
| 369 | I | 34.9 | Very low | 40.7 | Very low | 169 Ų | 169 | 144.6 Ų | 144.6 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | -163.4 | 143.9 | 167.1 | -132.8 | 70.5 | 0 | 0 | 0 | 107.9 | | |
| 370 | G | 36.3 | Very low | 40.2 | Very low | 50 Ų | 50 | 146.4 Ų | 146.4 | 52% | 0.515 | 79% | 0.792 | S | S | . | * | | | cis | -170.5 | 149.1 | -10.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 371 | K | 49.7 | Very low | 40.3 | Very low | 204 Ų | 204 | 149 Ų | 149 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | trans | 1 | 112.1 | 172.2 | -60.6 | 174.4 | -177.8 | 175.4 | 0 | 118.2 | | |
| 372 | F | 43.3 | Very low | 40 | Very low | 201 Ų | 201 | 147.6 Ų | 147.6 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | trans | -120.8 | 151.7 | 151.3 | -80.3 | -80.4 | 0 | 0 | 0 | 110.7 | | |
| 373 | H | 37.8 | Very low | 40 | Very low | 190 Ų | 190 | 147 Ų | 147 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | | | trans | -79.5 | 134.8 | -167.9 | -71.7 | 86.2 | 0 | 0 | 0 | 112.6 | | |
| 374 | N | 41.7 | Very low | 39.6 | Very low | 135 Ų | 135 | 151.3 Ų | 151.3 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | -88.3 | 120.2 | 175.4 | 179.8 | 2.5 | 0 | 0 | 0 | 109.9 | | |
| 375 | W | 44.8 | Very low | 39.3 | Very low | 221 Ų | 221 | 148.2 Ų | 148.2 | 84% | 0.837 | 80% | 0.797 | S | S | * | * | | | trans | -134.2 | 160.7 | 159.7 | 86.3 | -43 | 0 | 0 | 0 | 110.3 | | |
| 376 | T | 34.9 | Very low | 39.7 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | | | trans | 58.9 | 53.1 | -178.2 | 72.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 377 | N | 36 | Very low | 39.9 | Very low | 151 Ų | 151 | 147.9 Ų | 147.9 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | | | trans | -127 | 70.9 | 151.1 | -93.9 | -70.6 | 0 | 0 | 0 | 110.3 | | |
| 378 | G | 37.9 | Very low | 39.5 | Very low | 79 Ų | 79 | 150.5 Ų | 150.5 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | | | trans | -92.8 | 103.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 379 | A | 36.9 | Very low | 39.3 | Very low | 93 Ų | 93 | 148.1 Ų | 148.1 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -75.4 | 133.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 380 | F | 39.5 | Very low | 39.3 | Very low | 207 Ų | 207 | 150.7 Ų | 150.7 | 91% | 0.908 | 81% | 0.807 | S | S | * | * | | | trans | -120.6 | 120.8 | 164.7 | -133.1 | -85.8 | 0 | 0 | 0 | 109 | G382 | F380-G382 PolarHBondContact O-N 2.96Š|
| 381 | L | 45.3 | Very low | 39.1 | Very low | 164 Ų | 164 | 152.8 Ų | 152.8 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | | | trans | -75.2 | 120.3 | 172.9 | -81.9 | 73.5 | 0 | 0 | 0 | 108.5 | | |
| 382 | G | 34.6 | Very low | 38.5 | Very low | 73 Ų | 73 | 152 Ų | 152 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | | | trans | -133.2 | 102.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | F380 | F380-G382 PolarHBondContact O-N 2.96Š|
| 383 | Q | 41.4 | Very low | 38.3 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | | | trans | -66.8 | 137.3 | 177 | -69.7 | -179.3 | -24.2 | 0 | 0 | 110.4 | | |
| 384 | N | 33.7 | Very low | 37.9 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | trans | -155.3 | 114.3 | 142.8 | -113.9 | -84.3 | 0 | 0 | 0 | 108.7 | | |
| 385 | S | 33.1 | Very low | 37.6 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | | | trans | -87.2 | 141.1 | -174.9 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | L387 | S385-L387 PolarHBondContact O-N 3.06Š|
| 386 | L | 45.7 | Very low | 36.9 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | | | trans | -10.7 | 114.8 | 151.5 | -57.6 | 169 | 0 | 0 | 0 | 115.7 | | |
| 387 | L | 42.7 | Very low | 36.9 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | | | trans | -138.5 | 113.1 | 142.9 | -79.4 | -175.4 | 0 | 0 | 0 | 109.8 | S385 | S385-L387 PolarHBondContact O-N 3.06Š|
| 388 | N | 35.8 | Very low | 36.8 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | -114.9 | 110.9 | 169.6 | 173.1 | 15.9 | 0 | 0 | 0 | 107.4 | | |
| 389 | V | 39.4 | Very low | 36.5 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 75% | 0.745 | 80% | 0.795 | S | S | * | * | | | trans | -140.3 | 137.5 | 174.7 | -154.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 390 | R | 35.4 | Very low | 36.3 | Very low | 224 Ų | 224 | 151.1 Ų | 151.1 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | | | trans | -136.7 | 154.6 | 179.4 | -108 | -172 | 171 | -152.2 | -1.6 | 110.1 | | |
| 391 | S | 32.2 | Very low | 36 | Very low | 93 Ų | 93 | 148.5 Ų | 148.5 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | | | trans | 74.2 | 153.1 | 171.4 | -34.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 392 | F | 35.6 | Very low | 35.4 | Very low | 188 Ų | 188 | 147.7 Ų | 147.7 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | cis | -138 | -169.9 | 7.6 | -102.5 | -63.5 | 0 | 0 | 0 | 111.6 | | |
| 393 | L | 39 | Very low | 35.4 | Very low | 176 Ų | 176 | 150.9 Ų | 150.9 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | | | trans | 74.9 | 140.6 | -173.8 | -62.3 | 78.3 | 0 | 0 | 0 | 114.5 | | |
| 394 | G | 30.6 | Very low | 35 | Very low | 66 Ų | 66 | 149.2 Ų | 149.2 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | | | cis | 163.1 | 149.3 | -13 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 395 | V | 35 | Very low | 35.1 | Very low | 133 Ų | 133 | 148.7 Ų | 148.7 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | | | trans | 71.2 | 112.7 | 158.6 | 179.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 396 | N | 30.3 | Very low | 35 | Very low | 139 Ų | 139 | 148 Ų | 148 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | trans | 39.3 | 144.8 | 135.1 | -63.5 | -12.2 | 0 | 0 | 0 | 121.5 | | |
| 397 | Q | 35.6 | Very low | 34.4 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 65% | 0.645 | 75% | 0.747 | S | S | * | * | | | cis | 162.9 | 156.1 | 7.6 | 167.1 | 173.1 | 5.3 | 0 | 0 | 107.6 | | |
| 398 | H | 31.9 | Very low | 33.9 | Very low | 159 Ų | 159 | 142 Ų | 142 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | | | trans | 65.3 | 138.8 | 165.6 | -74.9 | -44.9 | 0 | 0 | 0 | 123.1 | | |
| 399 | H | 33.2 | Very low | 33.9 | Very low | 162 Ų | 162 | 140 Ų | 140 | 75% | 0.75 | 74% | 0.739 | S | S | * | * | | | trans | -73.5 | 167.6 | 169.9 | -59 | 48.4 | 0 | 0 | 0 | 111.7 | | |
| 400 | H | 32.1 | Very low | 33.7 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | | | | -165.1 | 157.9 | 117 | -108.3 | -76.2 | 0 | 0 | 0 | 112.9 | | |
| 401 | H | 32.4 | Very low | 34.3 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 70% | 0.704 | 74% | 0.738 | S | S | * | * | | | trans | -89.5 | 152.8 | 170.5 | -72.5 | 11.9 | 0 | 0 | 0 | 111.4 | | |
| 402 | H | 33.6 | Very low | 34.2 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | | | | 170.8 | 144.9 | 103 | -98.1 | -75.7 | 0 | 0 | 0 | 116.8 | | |
| 403 | H | 34.6 | Very low | 34 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 65% | 0.648 | 74% | 0.744 | S | S | * | * | | | trans | 54.9 | 121 | 139.7 | -71 | -33.9 | 0 | 0 | 0 | 126.1 | | |
| 404 | H | 33.9 | Very low | 33.7 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 67% | 0.667 | 74% | 0.739 | S | S | * | * | | | | 73.9 | 131.3 | 122.4 | -78.5 | -63.1 | 0 | 0 | 0 | 125.1 | | |
| 405 | H | 34.3 | Very low | 33.9 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | | | trans | 87.4 | 113.7 | 133.2 | -89.5 | -63.2 | 0 | 0 | 0 | 123.4 | | |
| 406 | S | 31.4 | Very low | 34 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | | | | 101.5 | 132.8 | 125 | -63.5 | 0 | 0 | 0 | 0 | 122.3 | | |
| 407 | S | 32.8 | Very low | 34.2 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | | | trans | 61.7 | 96.1 | 141.8 | 56.9 | 0 | 0 | 0 | 0 | 122.4 | | |
| 408 | S | 33.2 | Very low | 34.2 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | | | | 66 | 140.1 | 120.7 | 61 | 0 | 0 | 0 | 0 | 124.2 | | |
| 409 | S | 34.8 | Very low | 34.1 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | | | trans | 78 | 112.2 | 153.8 | 34.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 410 | H | 35.1 | Very low | 34.8 | Very low | 186 Ų | 186 | 135.2 Ų | 135.2 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | | | trans | -18.8 | 156 | 146 | -64.9 | -56.7 | 0 | 0 | 0 | 118.1 | | |
| 411 | P | 47.7 | Very low | 34.9 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 71% | 0.708 | 72% | 0.721 | S | S | * | * | | | cis | -153.7 | 164.9 | 47.5 | 43.2 | -22.6 | 0 | 0 | 0 | 121.8 | | |
| 412 | L | 30.3 | Very low | 35 | Very low | 158 Ų | 158 | 129.4 Ų | 129.4 | 83% | 0.827 | 72% | 0.721 | S | S | * | * | | | trans | 54.9 | 155.5 | 141.7 | -70.6 | 166.3 | 0 | 0 | 0 | 124 | | |
| 413 | S | 32.3 | Very low | 34.8 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | | | trans | 71.4 | 122.2 | 175.9 | -5.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 414 | A | 33 | Very low | 34.6 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | | | | 76.4 | 138.8 | 53.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 415 | Q | 34.7 | Very low | 34.6 | Very low | 157 Ų | 157 | 128.7 Ų | 128.7 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | | | cis | -160 | 143.8 | 21.1 | -171.4 | -177.2 | -59.9 | 0 | 0 | 113.5 | | |
| 416 | Q | 36.5 | Very low | 34.5 | Very low | 149 Ų | 149 | 126.4 Ų | 126.4 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | | | trans | 65 | 160.3 | 155.8 | -85.2 | 176.5 | -5.4 | 0 | 0 | 119.3 | | |
| 417 | Q | 34 | Very low | 35.4 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | | | cis | -155.3 | 176.3 | 12 | -131.6 | 177.9 | 78.9 | 0 | 0 | 109.2 | | |
| 418 | Q | 36.8 | Very low | 35.5 | Very low | 132 Ų | 132 | 130 Ų | 130 | 62% | 0.617 | 76% | 0.763 | S | S | * | * | | | cis | -159.4 | 134.2 | 1.2 | -161.7 | -161.2 | 107.5 | 0 | 0 | 111.6 | | |
| 419 | Q | 30.3 | Very low | 35.5 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | | | trans | 62.9 | 165.7 | 149.5 | -83.7 | -162.8 | 106.1 | 0 | 0 | 122.3 | | |
| 420 | P | 47.2 | Very low | 35.3 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | | | cis | -118.1 | -178.8 | 11 | 42.3 | -29.6 | 0 | 0 | 0 | 117.6 | | |
| 421 | T | 33.6 | Very low | 35.1 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | | | trans | -137.6 | -173.7 | -174.8 | 67 | 0 | 0 | 0 | 0 | 109.9 | | |
| 422 | S | 35.9 | Very low | 34.3 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | cis | -160.6 | 156.3 | 9.3 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 423 | V | 28.6 | Very low | 34.4 | Very low | 142 Ų | 142 | 122.5 Ų | 122.5 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | | | trans | 176.8 | 164.3 | 144.2 | -89.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 424 | V | 31.2 | Very low | 34.5 | Very low | 136 Ų | 136 | 125.2 Ų | 125.2 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | cis | -118.2 | -153.4 | -3.5 | -150.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 425 | V | 33.5 | Very low | 34.6 | Very low | 139 Ų | 139 | 124.9 Ų | 124.9 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | -141.6 | 151 | -176.9 | -176.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 426 | S | 31.8 | Very low | 34.6 | Very low | 109 Ų | 109 | 124.1 Ų | 124.1 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -85.9 | 169.2 | -179.8 | -45.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 427 | P | 51.1 | Low | 34.3 | Very low | 124 Ų | 124 | 123 Ų | 123 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | | | trans | -104.6 | 160 | 168.6 | 38.5 | -32.3 | 0 | 0 | 0 | 114.1 | | |
| 428 | V | 33.3 | Very low | 34.5 | Very low | 146 Ų | 146 | 121.1 Ų | 121.1 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | | | trans | -154.2 | 134.6 | 167.5 | 118.5 | 0 | 0 | 0 | 0 | 114 | | |
| 429 | A | 32.9 | Very low | 34.4 | Very low | 92 Ų | 92 | 124.5 Ų | 124.5 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | trans | 49.4 | 125.8 | 152.3 | 0 | 0 | 0 | 0 | 0 | 125.1 | | |
| 430 | A | 31.1 | Very low | 34.6 | Very low | 93 Ų | 93 | 121.5 Ų | 121.5 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | | 114.8 | 136.3 | 119.7 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 431 | S | 30.7 | Very low | 34.7 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | 89.6 | 91 | 147.1 | -61.5 | 0 | 0 | 0 | 0 | 123.7 | | |
| 432 | A | 31.2 | Very low | 34.8 | Very low | 105 Ų | 105 | 120 Ų | 120 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | | | | 66.3 | 119 | 120.8 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 433 | A | 32.4 | Very low | 34.6 | Very low | 104 Ų | 104 | 122.8 Ų | 122.8 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -157 | 148.3 | 143.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 434 | L | 34.7 | Very low | 34.9 | Very low | 168 Ų | 168 | 120.9 Ų | 120.9 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | | | trans | -51.7 | 162 | 174.8 | -63.2 | 157.6 | 0 | 0 | 0 | 115.1 | | |
| 435 | S | 34.5 | Very low | 35.1 | Very low | 90 Ų | 90 | 123.5 Ų | 123.5 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | | | cis | -166.8 | 158.2 | 4.3 | -112.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 436 | N | 34.8 | Very low | 34.9 | Very low | 142 Ų | 142 | 122.4 Ų | 122.4 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | 64 | 153.6 | 161.6 | -67.8 | 45.1 | 0 | 0 | 0 | 118.7 | | |
| 437 | D | 31.6 | Very low | 35.6 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 66% | 0.663 | 78% | 0.781 | S | S | * | * | | | cis | -140.6 | 167 | 7.9 | -149.6 | -89.4 | 0 | 0 | 0 | 114.1 | | |
| 438 | S | 37.3 | Very low | 34.9 | Very low | 101 Ų | 101 | 126.9 Ų | 126.9 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | -16.8 | 141.2 | 174.9 | -46.5 | 0 | 0 | 0 | 0 | 119.1 | | |
| 439 | K | 34.5 | Very low | 34.8 | Very low | 203 Ų | 203 | 127.6 Ų | 127.6 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | | | | -179.8 | 149.5 | 60 | 179.1 | 168.4 | 177.7 | -179 | 0 | 112.5 | | |
| 440 | A | 34.8 | Very low | 34.9 | Very low | 79 Ų | 79 | 129.9 Ų | 129.9 | 65% | 0.653 | 78% | 0.776 | S | S | * | * | | | trans | -111.6 | 179.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 441 | P | 50.2 | Low | 35 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | | | cis | -141.4 | 170.4 | 12.1 | 44.5 | -25.9 | 0 | 0 | 0 | 118.8 | | |
| 442 | A | 34.9 | Very low | 35.1 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | | | trans | 35.6 | 140 | 138.5 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 443 | D | 32 | Very low | 35.1 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | | | | -143.9 | 166.9 | 111 | -130.5 | -33.1 | 0 | 0 | 0 | 111.2 | | |
| 444 | T | 35.1 | Very low | 35.1 | Very low | 102 Ų | 102 | 140 Ų | 140 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | | | trans | -127.6 | 154 | -166.6 | 55.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 445 | H | 33.9 | Very low | 35 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 88% | 0.88 | 74% | 0.744 | S | S | * | * | | | | -179.9 | 157.5 | 119.1 | -97.5 | -69.2 | 0 | 0 | 0 | 113.5 | | |
| 446 | S | 30.5 | Very low | 34.9 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | -130.5 | 162.6 | -173.9 | -85.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 447 | P | 46.6 | Very low | 35.2 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | | | trans | -98.4 | 168.7 | -163.3 | 38.4 | -38.5 | 0 | 0 | 0 | 117.5 | | |
| 448 | K | 36 | Very low | 36 | Very low | 204 Ų | 204 | 136.9 Ų | 136.9 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | | | trans | -151.2 | 151 | 162 | -57.8 | -178.3 | -175 | 176.5 | 0 | 108.7 | | |
| 449 | H | 31 | Very low | 36.5 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | | | cis | 96.5 | 91.4 | 7.6 | -163.9 | -65.5 | 0 | 0 | 0 | 118.3 | | |
| 450 | I | 35.2 | Very low | 36.6 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | | | trans | -166.8 | 118.9 | 143.8 | -122.3 | 72.6 | 0 | 0 | 0 | 106 | | |
| 451 | E | 32.8 | Very low | 36.8 | Very low | 143 Ų | 143 | 139 Ų | 139 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | | | | 60.4 | 117.2 | 89.2 | -64.2 | -161.7 | 136.4 | 0 | 0 | 118.9 | | |
| 452 | H | 33 | Very low | 36.2 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | | -174 | 148.2 | 109.4 | -112.7 | 55.1 | 0 | 0 | 0 | 114 | | |
| 453 | E | 32.5 | Very low | 36.2 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 62% | 0.621 | 77% | 0.772 | S | S | * | * | | | trans | 20.9 | 159.3 | 153.8 | -59.6 | -72.9 | 81.4 | 0 | 0 | 123 | | |
| 454 | R | 31.7 | Very low | 36.3 | Very low | 192 Ų | 192 | 142 Ų | 142 | 73% | 0.725 | 77% | 0.769 | S | S | * | * | | | cis | 175.5 | 150.2 | -27.5 | -174.1 | 172 | 178.7 | 170.1 | 2.8 | 109.5 | | |
| 455 | S | 31.7 | Very low | 36.4 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | | | trans | 68.5 | 155.5 | 171.3 | 1.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 456 | D | 33 | Very low | 36.8 | Very low | 142 Ų | 142 | 149 Ų | 149 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | cis | -150.3 | 159.5 | -8.1 | -154.9 | -11.8 | 0 | 0 | 0 | 111.4 | | |
| 457 | S | 42.1 | Very low | 37.4 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | 4.4 | 152.1 | 162.2 | -60.2 | 0 | 0 | 0 | 0 | 123.7 | | |
| 458 | P | 47.3 | Very low | 36.8 | Very low | 109 Ų | 109 | 150.9 Ų | 150.9 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 160.3 | -170.2 | 36.5 | -38.3 | 0 | 0 | 0 | 115.9 | | |
| 459 | P | 48.2 | Very low | 36.8 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 142.3 | 173 | 30.5 | -34.9 | 0 | 0 | 0 | 112.7 | | |
| 460 | T | 36.3 | Very low | 36.9 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 154.7 | -171.9 | 46.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 461 | L | 39.5 | Very low | 36.8 | Very low | 175 Ų | 175 | 152.7 Ų | 152.7 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 133.2 | 170.1 | -66.1 | 165.9 | 0 | 0 | 0 | 111.8 | | |
| 462 | K | 37.3 | Very low | 37 | Very low | 194 Ų | 194 | 151.3 Ų | 151.3 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | | | trans | -133.8 | 117 | 160.5 | -72.9 | -171.1 | 178.3 | 175.9 | 0 | 111.4 | | |
| 463 | S | 34.2 | Very low | 37.1 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -67.4 | 142.1 | 169 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 464 | S | 35.1 | Very low | 37.6 | Very low | 114 Ų | 114 | 150.7 Ų | 150.7 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | -128.2 | 97.9 | 169.3 | -169.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 465 | F | 37.2 | Very low | 38.3 | Very low | 200 Ų | 200 | 147.7 Ų | 147.7 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | trans | -159 | 125.2 | 167.8 | -111.1 | -74.4 | 0 | 0 | 0 | 109.1 | | |
| 466 | R | 41.8 | Very low | 38.4 | Very low | 241 Ų | 241 | 148 Ų | 148 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | | | trans | -168.2 | 159.9 | 142.2 | -107 | 173.3 | -170.2 | -109.5 | -2.8 | 110.1 | | |
| 467 | P | 42.1 | Very low | 38.4 | Very low | 100 Ų | 100 | 146.6 Ų | 146.6 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | | | trans | -95.9 | 169.3 | -154.1 | 37.8 | -38.6 | 0 | 0 | 0 | 114.3 | | |
| 468 | I | 34.1 | Very low | 38.1 | Very low | 178 Ų | 178 | 146.2 Ų | 146.2 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | | | trans | -102.9 | 135.7 | 155.7 | -63.3 | 174.6 | 0 | 0 | 0 | 107.1 | | |
| 469 | Q | 37 | Very low | 37.4 | Very low | 152 Ų | 152 | 152.6 Ų | 152.6 | 71% | 0.71 | 83% | 0.825 | S | S | * | * | | | trans | -139.3 | 147.6 | -178.4 | -167.5 | 169.4 | -6.1 | 0 | 0 | 110.1 | | |
| 470 | D | 32.7 | Very low | 36.9 | Very low | 138 Ų | 138 | 150.9 Ų | 150.9 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | | | trans | 54.6 | 114.3 | 171.9 | -60.1 | -23.6 | 0 | 0 | 0 | 119.8 | | |
| 471 | R | 33.3 | Very low | 37.4 | Very low | 252 Ų | 252 | 150.3 Ų | 150.3 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | | | | -148.5 | 132.6 | 110.1 | -127.6 | 174.2 | 179.1 | -118.4 | -3 | 113.3 | | |
| 472 | S | 36.7 | Very low | 37.3 | Very low | 114 Ų | 114 | 150.4 Ų | 150.4 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | | | trans | -97 | 132.4 | -178.6 | 48.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 473 | S | 35.5 | Very low | 37.1 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -167.4 | 113.3 | 158.1 | 54.2 | 0 | 0 | 0 | 0 | 112 | | |
| 474 | L | 42.1 | Very low | 37.3 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | | | trans | -73.7 | 158.5 | 151.2 | -66.7 | 167.4 | 0 | 0 | 0 | 108.4 | | |
| 475 | P | 48.1 | Very low | 37.6 | Very low | 129 Ų | 129 | 146.1 Ų | 146.1 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | | | | -137.4 | 179.3 | 93.1 | 37.9 | -25.5 | 0 | 0 | 0 | 113.9 | | |
| 476 | S | 33.5 | Very low | 38.1 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | trans | -106.5 | 153 | -173.2 | -175.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 477 | S | 33 | Very low | 38.1 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | 56.9 | 120.2 | 152.5 | -167.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 478 | A | 34.2 | Very low | 38.3 | Very low | 94 Ų | 94 | 147.7 Ų | 147.7 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | | | trans | -165.4 | 115.9 | 139.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 479 | R | 33.9 | Very low | 38.8 | Very low | 243 Ų | 243 | 146.5 Ų | 146.5 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | | | | 66.9 | 129.7 | 125.6 | -163.2 | 172.3 | -170.5 | -179.1 | 3.9 | 122.4 | | |
| 480 | S | 37.3 | Very low | 39.1 | Very low | 95 Ų | 95 | 145.5 Ų | 145.5 | 66% | 0.664 | 81% | 0.807 | S | S | * | * | | | trans | -97.2 | 157.3 | 162.7 | 166 | 0 | 0 | 0 | 0 | 112.5 | | |
| 481 | P | 46.1 | Very low | 39.8 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | | | | -122.7 | 159.5 | 123.7 | 40.4 | -33.1 | 0 | 0 | 0 | 109.8 | | |
| 482 | Q | 37.5 | Very low | 40.5 | Very low | 178 Ų | 178 | 140.4 Ų | 140.4 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | cis | 63.6 | 138.7 | 44.9 | -62.9 | -162.3 | -12.9 | 0 | 0 | 113.2 | | |
| 483 | D | 34.5 | Very low | 41 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | | | cis | -146.7 | 160.5 | 9.9 | -168.1 | -6.7 | 0 | 0 | 0 | 110.2 | | |
| 484 | A | 37.8 | Very low | 41.8 | Very low | 101 Ų | 101 | 141 Ų | 141 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | -156.5 | 67.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 485 | T | 40.7 | Very low | 42.2 | Very low | 101 Ų | 101 | 141.1 Ų | 141.1 | 62% | 0.62 | 84% | 0.841 | S | S | * | * | | | trans | -54.7 | 144.1 | 178.4 | 56.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 486 | Q | 48.3 | Very low | 42 | Very low | 194 Ų | 194 | 141.7 Ų | 141.7 | 91% | 0.907 | 84% | 0.841 | S | S | * | * | | | trans | -137.3 | 152.9 | 134 | -75.3 | -155.9 | 3.1 | 0 | 0 | 110.6 | | |
| 487 | R | 40.9 | Very low | 42.4 | Very low | 232 Ų | 232 | 143.3 Ų | 143.3 | 88% | 0.875 | 85% | 0.845 | S | S | * | * | | | trans | -124.9 | 135.9 | -177.2 | -61.6 | 175.6 | 176.9 | -179.2 | -1.7 | 109.9 | | |
| 488 | V | 46.7 | Very low | 42.9 | Very low | 147 Ų | 147 | 144.9 Ų | 144.9 | 89% | 0.891 | 85% | 0.848 | S | S | * | * | | | trans | -132.9 | 139 | 158.8 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 489 | L | 44.8 | Very low | 43.4 | Very low | 153 Ų | 153 | 147.9 Ų | 147.9 | 80% | 0.801 | 85% | 0.852 | S | S | * | * | | | trans | -69.8 | 143.6 | -162.3 | -62.9 | 159.8 | 0 | 0 | 0 | 115.8 | | |
| 490 | T | 43.4 | Very low | 44 | Very low | 131 Ų | 131 | 142 Ų | 142 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | | | | 40 | 114 | 123.5 | -45.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 491 | A | 48 | Very low | 44.5 | Very low | 103 Ų | 103 | 145.1 Ų | 145.1 | 85% | 0.851 | 86% | 0.86 | S | S | * | * | | | trans | -154.5 | 132.7 | 130.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 492 | L | 48.5 | Very low | 44.4 | Very low | 180 Ų | 180 | 147.7 Ų | 147.7 | 94% | 0.942 | 87% | 0.871 | S | S | * | * | | | trans | -106.1 | 139.3 | 162.7 | -91.1 | 164.2 | 0 | 0 | 0 | 107.9 | | |
| 493 | S | 46.7 | Very low | 44.9 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 87% | 0.867 | 87% | 0.874 | S | S | * | * | | | trans | -154.1 | 141.6 | 149.7 | -164.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 494 | S | 52.1 | Low | 45.8 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 83% | 0.832 | 89% | 0.887 | S | S | * | * | | | trans | -129.3 | 135 | 173.6 | -173.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 495 | A | 51.3 | Low | 46.5 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 100% | 1.421 | 89% | 0.892 | S | S | * | * | | | trans | -148.9 | 0 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |