| 1 | M | 34.9 | Very low | 34.1 | Very low | 244 Ų | 244 | 161.5 Ų | 161.5 | 100% | 1.202 | 88% | 0.881 | S | S | * | * | | | | 0 | 158.1 | 0 | -77.8 | -176.2 | 172.4 | 0 | 0 | 109.6 | | |
| 2 | R | 34.2 | Very low | 33.9 | Very low | 251 Ų | 251 | 154.9 Ų | 154.9 | 95% | 0.947 | 88% | 0.879 | S | S | * | * | | | trans | 67.5 | 143.9 | -168.6 | -64.4 | -172.6 | 173.5 | 173.1 | -1 | 114.2 | | |
| 3 | T | 32.9 | Very low | 33.8 | Very low | 126 Ų | 126 | 151.2 Ų | 151.2 | 77% | 0.773 | 87% | 0.868 | S | S | * | * | | | trans | -132.9 | 164.6 | -151.9 | 38.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 4 | T | 30.9 | Very low | 33.6 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 77% | 0.767 | 87% | 0.871 | S | S | * | * | | | trans | -15.3 | 135.1 | 161 | 50.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 5 | V | 37.3 | Very low | 33.6 | Very low | 145 Ų | 145 | 150.3 Ų | 150.3 | 88% | 0.879 | 86% | 0.861 | S | S | * | * | | | trans | -131.2 | 136.4 | 138.2 | -153.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 6 | E | 31.3 | Very low | 33.5 | Very low | 182 Ų | 182 | 145.8 Ų | 145.8 | 85% | 0.85 | 86% | 0.857 | S | S | * | * | | | trans | -93.7 | 157.3 | 177.2 | -68 | 170.9 | 119.2 | 0 | 0 | 110.6 | | |
| 7 | S | 39.1 | Very low | 33.7 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 84% | 0.839 | 84% | 0.842 | S | S | * | * | | | trans | -149.7 | 113.5 | 165.9 | 49.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 8 | D | 31.9 | Very low | 34 | Very low | 165 Ų | 165 | 144.6 Ų | 144.6 | 88% | 0.882 | 85% | 0.846 | S | S | * | * | | | trans | -72.1 | 152.4 | 171.7 | -71.2 | -64.8 | 0 | 0 | 0 | 111.7 | | |
| 9 | C | 34.5 | Very low | 34.4 | Very low | 120 Ų | 120 | 146 Ų | 146 | 81% | 0.811 | 84% | 0.841 | S | S | * | * | | | trans | -152.8 | 109.1 | 167 | -126.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 10 | C | 35.5 | Very low | 34.6 | Very low | 120 Ų | 120 | 144.8 Ų | 144.8 | 81% | 0.811 | 84% | 0.836 | S | S | * | * | | | trans | 59 | 101.3 | 148.8 | -56.4 | 0 | 0 | 0 | 0 | 120 | | |
| 11 | L | 32.7 | Very low | 34.7 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 93% | 0.932 | 84% | 0.837 | S | S | * | * | | | trans | -68.5 | 140 | 147.5 | -78.8 | 162.2 | 0 | 0 | 0 | 110.2 | | |
| 12 | G | 32 | Very low | 35 | Very low | 83 Ų | 83 | 138.4 Ų | 138.4 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | | | trans | -106.1 | 112.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 13 | S | 31.7 | Very low | 35 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | | | trans | -81.6 | 147.4 | 178.1 | -58.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 14 | V | 32.3 | Very low | 35.3 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | | | trans | -120.5 | 131.2 | 155.8 | 179.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 15 | I | 33.2 | Very low | 35.7 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | | | trans | -106.1 | 130.2 | -169.1 | -58 | 170.6 | 0 | 0 | 0 | 108.9 | V17 | I15-V17 HydrophobicContact CG2-CG2 3.51Š|
| 16 | G | 32.1 | Very low | 35.9 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -106.8 | 135.5 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 17 | V | 37.2 | Very low | 36.3 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 61% | 0.606 | 81% | 0.806 | S | S | * | * | | | trans | -121.6 | 122.1 | 179 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | I15 K19 | I15-V17 HydrophobicContact CG2-CG2 3.51Å; V17-K19 HydrophobicContact CG1-CG 4.13Å |
| 18 | D | 38.2 | Very low | 36.2 | Very low | 171 Ų | 171 | 135 Ų | 135 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | | | trans | -122.2 | 147.3 | 148.5 | -83.6 | -58.3 | 0 | 0 | 0 | 108 | | |
| 19 | K | 42 | Very low | 36.3 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | | | trans | -130.4 | 133.2 | -165.6 | -112.3 | -173 | 177.3 | -175.6 | 0 | 112.8 | V17 | V17-K19 HydrophobicContact CG1-CG 4.13Š|
| 20 | T | 38.5 | Very low | 36.3 | Very low | 121 Ų | 121 | 135 Ų | 135 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | trans | 54.3 | 101.1 | 151.5 | 52.8 | 0 | 0 | 0 | 0 | 118 | | |
| 21 | A | 36.6 | Very low | 36.3 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -89.7 | 142.6 | 141.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 22 | I | 40.4 | Very low | 36.1 | Very low | 153 Ų | 153 | 136 Ų | 136 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -122.1 | 124.1 | 173.9 | -59.1 | 174.1 | 0 | 0 | 0 | 107.7 | | |
| 23 | P | 35.8 | Very low | 36.1 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | trans | -101.4 | 134.3 | 169.4 | 34.8 | -27.6 | 0 | 0 | 0 | 111.4 | | |
| 24 | S | 38 | Very low | 36.3 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | | 171.6 | 140.9 | 125.5 | 41.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 25 | N | 40.2 | Very low | 36.3 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | 70.5 | 159.5 | 154.2 | -145.6 | 25 | 0 | 0 | 0 | 120.2 | | |
| 26 | E | 39.8 | Very low | 36.4 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | | | trans | -116.3 | 138.8 | -162.6 | -55.6 | 162.9 | 134.8 | 0 | 0 | 110.1 | | |
| 27 | H | 41.2 | Very low | 36.5 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | | -157.3 | 145.4 | 128.2 | -131.3 | -85.6 | 0 | 0 | 0 | 113.8 | | |
| 28 | E | 35.7 | Very low | 36.4 | Very low | 149 Ų | 149 | 145 Ų | 145 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | | | trans | -52.4 | 172.7 | -179.1 | -113.7 | -175.5 | 150.6 | 0 | 0 | 120.2 | | |
| 29 | I | 34.9 | Very low | 36.2 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 67% | 0.672 | 77% | 0.768 | S | S | * | * | | | trans | 78.2 | 95.5 | 149.7 | -67.1 | 156.2 | 0 | 0 | 0 | 118.5 | | |
| 30 | L | 34.4 | Very low | 35.5 | Very low | 154 Ų | 154 | 140 Ų | 140 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | | | | 11.7 | 126.8 | 123 | -59.1 | 166.1 | 0 | 0 | 0 | 118.1 | | |
| 31 | L | 35.3 | Very low | 35.4 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 93% | 0.927 | 77% | 0.774 | S | S | * | * | | | | -173.6 | 179.4 | 101.6 | -105 | 157.4 | 0 | 0 | 0 | 112.8 | | |
| 32 | N | 29.6 | Very low | 35.2 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | trans | -111.1 | 153.3 | -160.1 | -136.1 | 13.7 | 0 | 0 | 0 | 112.4 | | |
| 33 | S | 32 | Very low | 35.1 | Very low | 90 Ų | 90 | 139.1 Ų | 139.1 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | | | trans | 68.1 | 151.8 | 154.1 | -57.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 34 | Q | 35.7 | Very low | 35 | Very low | 177 Ų | 177 | 142 Ų | 142 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | | | trans | 67.7 | 140.7 | 149.7 | -81.7 | 171.5 | -50.1 | 0 | 0 | 118.1 | | |
| 35 | T | 32.2 | Very low | 34.9 | Very low | 98 Ų | 98 | 142 Ų | 142 | 60% | 0.601 | 78% | 0.777 | S | S | * | * | | | cis | -157.3 | 168.7 | -21.2 | -7.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 36 | D | 33.9 | Very low | 34.9 | Very low | 131 Ų | 131 | 140 Ų | 140 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | trans | 57 | 128.8 | 146 | -57.8 | -26.2 | 0 | 0 | 0 | 121.9 | | |
| 37 | H | 34.6 | Very low | 34.9 | Very low | 169 Ų | 169 | 137.8 Ų | 137.8 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | | | trans | 92 | 143.2 | 130.5 | -97.5 | -109 | 0 | 0 | 0 | 123.3 | | |
| 38 | E | 36 | Very low | 34.6 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | | | trans | 74.1 | 152.2 | 160.6 | -62.7 | -166.1 | 129.7 | 0 | 0 | 121 | | |
| 39 | S | 32.6 | Very low | 34.4 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | trans | -129.6 | -179.6 | -159.6 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 40 | C | 28.3 | Very low | 34.5 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | | | trans | 70.2 | 156.4 | 173.4 | -79.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 41 | S | 35.6 | Very low | 34.6 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | cis | -154.7 | 161.7 | -3.4 | 27.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 42 | S | 32.7 | Very low | 34.8 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | trans | -68.9 | 134 | -179.7 | -46 | 0 | 0 | 0 | 0 | 115 | | |
| 43 | V | 38.5 | Very low | 35.3 | Very low | 132 Ų | 132 | 125 Ų | 125 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | | | trans | -143.2 | 103.2 | 154.8 | -170.8 | 0 | 0 | 0 | 0 | 105.7 | | |
| 44 | Q | 34.7 | Very low | 35.6 | Very low | 173 Ų | 173 | 128.9 Ų | 128.9 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | | | | 67.1 | 135.3 | 77.3 | -72.1 | -160.9 | 8.8 | 0 | 0 | 116.4 | | |
| 45 | S | 34.9 | Very low | 35.6 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | trans | 70 | 158.7 | 164.8 | 85.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 46 | S | 41.1 | Very low | 35.9 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | cis | -146.7 | 158.3 | 2.3 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 47 | S | 38.5 | Very low | 36.1 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | -103.7 | 135.1 | 173.4 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 48 | C | 34.6 | Very low | 36.4 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | | | trans | -165.4 | 131.8 | 157.9 | 57.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 49 | C | 31.2 | Very low | 36.6 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | | | | 74.3 | 152.2 | 91.7 | 103.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 50 | S | 37.2 | Very low | 37.4 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | | | cis | -159.5 | 168.8 | -12.8 | -128.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 51 | T | 36.5 | Very low | 38.3 | Very low | 123 Ų | 123 | 125.5 Ų | 125.5 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | -21.3 | 141.2 | 167 | 37.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 52 | A | 40.6 | Very low | 38.6 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 88% | 0.876 | 76% | 0.761 | S | S | * | * | | | trans | -136.2 | 154.9 | 142.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 53 | S | 38.8 | Very low | 39.2 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | trans | -135.7 | -175.1 | -159.8 | -56.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 54 | H | 40 | Very low | 39.5 | Very low | 171 Ų | 171 | 127.7 Ų | 127.7 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | | | trans | 87.7 | 142.3 | 159.5 | -154.2 | -85.4 | 0 | 0 | 0 | 116.9 | | |
| 55 | L | 34.6 | Very low | 39.8 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 63% | 0.634 | 74% | 0.743 | S | S | * | * | | | cis | -165.6 | -170.9 | -34.3 | -153.9 | 71.1 | 0 | 0 | 0 | 108.2 | | |
| 56 | T | 38.9 | Very low | 40 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 77% | 0.767 | 75% | 0.745 | S | S | * | * | | | trans | 66.5 | 116.8 | 177.1 | 61.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 57 | Q | 37.4 | Very low | 39.8 | Very low | 133 Ų | 133 | 127.5 Ų | 127.5 | 62% | 0.621 | 75% | 0.745 | S | S | * | * | | | cis | 85.4 | 113.3 | 22.4 | -163.9 | 178.5 | -13.7 | 0 | 0 | 115.4 | H59 | Q57-H59 PolarHBondContact NE2-NE2 2.57Š|
| 58 | E | 40.9 | Very low | 39.9 | Very low | 168 Ų | 168 | 129.9 Ų | 129.9 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | trans | -163.2 | 164.6 | 136.9 | -104 | -41.9 | 121.7 | 0 | 0 | 111.4 | | |
| 59 | H | 39.9 | Very low | 40.1 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | trans | -112.2 | 159.4 | -155 | -78.3 | -78.7 | 0 | 0 | 0 | 118.7 | Q57 | Q57-H59 PolarHBondContact NE2-NE2 2.57Š|
| 60 | P | 51.2 | Low | 40.5 | Very low | 108 Ų | 108 | 128 Ų | 128 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | | | trans | -93.5 | -173.8 | 169.2 | 41.5 | -37 | 0 | 0 | 0 | 112.2 | | |
| 61 | P | 46.1 | Very low | 41 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | | | | -160.5 | -171.1 | 95.9 | 41.5 | -20.4 | 0 | 0 | 0 | 117.3 | | |
| 62 | N | 41.6 | Very low | 41.2 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | | | trans | 70.8 | 135.4 | 159.6 | -59.2 | -19.9 | 0 | 0 | 0 | 118.4 | | |
| 63 | H | 46 | Very low | 41.5 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | cis | -165 | 179.4 | -15.7 | -143.3 | -158.1 | 0 | 0 | 0 | 107.3 | | |
| 64 | S | 45.2 | Very low | 41.6 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | | | cis | -152.8 | 128.5 | 5.3 | 58.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 65 | V | 40.8 | Very low | 41.9 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 62% | 0.624 | 76% | 0.764 | S | S | * | * | | | trans | 26.3 | 120.1 | 140.7 | -173.7 | 0 | 0 | 0 | 0 | 121.5 | | |
| 66 | C | 38.8 | Very low | 42.7 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | | | trans | -152.2 | 114.6 | 131.4 | -108.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 67 | H | 37.6 | Very low | 43.6 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | | | trans | -87.6 | 159.1 | 170.9 | -71.7 | -97.5 | 0 | 0 | 0 | 109.3 | | |
| 68 | I | 40.8 | Very low | 44.7 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | | | | -146.3 | 156.3 | 71.6 | -78.5 | 158.8 | 0 | 0 | 0 | 110.9 | | |
| 69 | S | 39.1 | Very low | 45.7 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | trans | -80.7 | 143.1 | -168.7 | 48.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 70 | G | 39.1 | Very low | 46.7 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | trans | -142.2 | 146.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 71 | E | 46.3 | Very low | 47.7 | Very low | 204 Ų | 204 | 139.6 Ų | 139.6 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | | | trans | -77.2 | 140.8 | -157.7 | -61.2 | 177.2 | 128.7 | 0 | 0 | 114.8 | G73 | E71-G73 PolarHBondContact O-N 3.26Š|
| 72 | K | 41.3 | Very low | 49 | Very low | 206 Ų | 206 | 139.7 Ų | 139.7 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | | | trans | -93.9 | 91.7 | 179.5 | -75.4 | -172.5 | 177.1 | -179.7 | 0 | 112.4 | K74 | K72-K74 PolarHBondContact O-N 3.46Š|
| 73 | G | 47.3 | Very low | 50.7 | Low | 71 Ų | 71 | 139.3 Ų | 139.3 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | | | trans | -66.3 | 124.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E71 C75 | E71-G73 PolarHBondContact O-N 3.26Å; G73-C75 PolarHBondContact O-N 3.48Å; G73-C75 VanDerWaalsContact O-N 3.11Å |
| 74 | K | 41.2 | Very low | 52.2 | Low | 209 Ų | 209 | 142.4 Ų | 142.4 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | | | trans | -76.3 | 90.3 | 172.2 | -80 | -175.7 | 176.3 | 176.8 | 0 | 110.8 | K72 | K72-K74 PolarHBondContact O-N 3.46Š|
| 75 | C | 46.3 | Very low | 53.8 | Low | 115 Ų | 115 | 143.9 Ų | 143.9 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | | | trans | -68.2 | 132.9 | 158.3 | -68.5 | 0 | 0 | 0 | 0 | 109.1 | G73 D77 | G73-C75 PolarHBondContact O-N 3.48Å; G73-C75 VanDerWaalsContact O-N 3.11Å; C75-D77 PolarHBondContact O-N 3.11Å |
| 76 | K | 51.3 | Low | 55.6 | Low | 202 Ų | 202 | 143.9 Ų | 143.9 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | | | trans | -78.9 | 116.8 | 171 | -73.6 | 179.6 | 177 | 177.2 | 0 | 108.4 | S78 | K76-S78 VanDerWaalsContact C-N 3.35Å; K76-S78 PolarHBondContact O-N 3.24Å |
| 77 | D | 57.6 | Low | 57.7 | Low | 153 Ų | 153 | 139.1 Ų | 139.1 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -67 | 92.9 | 170.4 | -67.1 | -47.9 | 0 | 0 | 0 | 110 | C75 V79 | C75-D77 PolarHBondContact O-N 3.11Å; D77-V79 PolarHBondContact O-N 3.46Å |
| 78 | S | 60.9 | Low | 59.9 | Low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | | | trans | -69.2 | 114.3 | 165.9 | 49.3 | 0 | 0 | 0 | 0 | 108.1 | K76 G80 | K76-S78 VanDerWaalsContact C-N 3.35Å; K76-S78 PolarHBondContact O-N 3.24Å; S78-G80 PolarHBondContact O-N 2.9Å |
| 79 | V | 61.6 | Low | 62 | Low | 139 Ų | 139 | 125.4 Ų | 125.4 | 84% | 0.842 | 70% | 0.703 | S | S | * | * | | | trans | -69.1 | 82.6 | 177.6 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | D77 K81 | D77-V79 PolarHBondContact O-N 3.46Å; V79-K81 PolarHBondContact O-N 2.74Å |
| 80 | G | 59.8 | Low | 64.2 | Low | 59 Ų | 59 | 120 Ų | 120 | 61% | 0.608 | 67% | 0.665 | S | S | * | * | | | trans | -62.9 | 117.2 | 180 | 0 | 0 | 0 | 0 | 0 | 110.4 | S78 S82 | S78-G80 PolarHBondContact O-N 2.9Å; G80-S82 PolarHBondContact O-N 3.27Å |
| 81 | K | 73.5 | Confident | 66.4 | Low | 206 Ų | 206 | 119.6 Ų | 119.6 | 90% | 0.896 | 64% | 0.643 | S | S | * | * | | | trans | -68.7 | 82.5 | 176 | -64.1 | -179.9 | -178.4 | 179.5 | 0 | 109.6 | V79 I83 | V79-K81 PolarHBondContact O-N 2.74Å; K81-I83 PolarHBondContact O-N 2.92Å |
| 82 | S | 73 | Confident | 68.1 | Low | 103 Ų | 103 | 110 Ų | 110 | 72% | 0.72 | 60% | 0.598 | S | S | * | * | | | trans | -67 | 124 | -176.5 | -172.9 | 0 | 0 | 0 | 0 | 111.3 | G80 R84 | G80-S82 PolarHBondContact O-N 3.27Å; S82-R84 PolarHBondContact O-N 2.8Å |
| 83 | I | 77.3 | Confident | 70.2 | Confident | 136 Ų | 136 | 102 Ų | 102 | 70% | 0.697 | 56% | 0.563 | S | S | * | * | | | trans | -73 | 110 | 179.5 | -59.7 | 176.1 | 0 | 0 | 0 | 108.6 | K81 F85 | K81-I83 PolarHBondContact O-N 2.92Å; I83-F85 HydrophobicContact CG2-CE1 4.4Å; I83-F85 HydrophobicContact CG2-CE2 4.13Å; I83-F85 HydrophobicContact CG2-CZ 3.99Å |
| 84 | R | 76.6 | Confident | 71.6 | Confident | 229 Ų | 229 | 100.5 Ų | 100.5 | 86% | 0.864 | 54% | 0.544 | S | S | * | . | | | trans | -98.6 | 114.3 | 173.3 | -72.2 | -176.3 | 60 | -168.8 | -5.2 | 110.3 | S82 | S82-R84 PolarHBondContact O-N 2.8Š|
| 85 | F | 79.4 | Confident | 72.9 | Confident | 125 Ų | 125 | 93.7 Ų | 93.7 | 55% | 0.548 | 51% | 0.513 | S | S | . | . | | | trans | -73.4 | 149.2 | 162.8 | -55 | -83.6 | 0 | 0 | 0 | 109.6 | I83 L124 | I83-F85 HydrophobicContact CG2-CE1 4.4Å; I83-F85 HydrophobicContact CG2-CE2 4.13Å; I83-F85 HydrophobicContact CG2-CZ 3.99Å; F85-L124 HydrophobicContact CB-CD1 4.07Å; F85-L124 HydrophobicContact CB-CD2 4.17Å; F85-L124 WeakPolarHBondContact O-CD1 3.4Å |
| 86 | S | 78 | Confident | 73.9 | Confident | 103 Ų | 103 | 93.3 Ų | 93.3 | 72% | 0.72 | 50% | 0.499 | S | S | * | . | | | trans | -110.8 | -36.1 | -178.5 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 87 | G | 83 | Confident | 74.7 | Confident | 31 Ų | 31 | 88.9 Ų | 88.9 | 32% | 0.32 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | -177.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L122 | G87-L122 CarbonylContact C-O 3.46Å; G87-L122 VanDerWaalsContact CA-O 3.23Å; G87-L122 WeakPolarHBondContact CA-O 3.34Å |
| 88 | V | 83.7 | Confident | 74.8 | Confident | 10 Ų | 10 | 82.7 Ų | 82.7 | 6% | 0.061 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 127.4 | -178.5 | -168.1 | 0 | 0 | 0 | 0 | 108.5 | V90 R121 L122 L124 H127 D520 | V88-V90 HydrophobicContact CG1-CG2 4.19Å; V88-R121 WeakPolarHBondContact O-CA 3.39Å; V88-L122 PolarHBondContact N-O 3.4Å; V88-L122 PolarHBondContact O-N 3.11Å; V88-L124 HydrophobicContact CG2-CD2 3.98Å; V88-H127 HydrophobicContact CB-CB 4.48Å; V88-H127 HydrophobicContact CG2-CB 3.96Å; V88-D520 HydrophobicContact CG1-CB 4.2Å; V88-D520 WeakPolarHBondContact CG1-OD1 3.44Å |
| 89 | T | 86.4 | Confident | 74.6 | Confident | 35 Ų | 35 | 86.8 Ų | 86.8 | 22% | 0.215 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.9 | 169.5 | -55.2 | 0 | 0 | 0 | 0 | 108.6 | Y91 V119 S120 R121 | T89-Y91 HydrophobicContact CG2-CD2 4.36Å; T89-Y91 HydrophobicContact CG2-CE1 4.44Å; T89-Y91 HydrophobicContact CG2-CE2 3.67Å; T89-V119 HydrophobicContact CG2-CG1 3.52Å; T89-S120 WeakPolarHBondContact CA-O 3.3Å; T89-R121 HydrophobicContact CG2-CG 4.21Å |
| 90 | V | 84.9 | Confident | 74.3 | Confident | 3 Ų | 3 | 84.9 Ų | 84.9 | 2% | 0.018 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.7 | -175.9 | -155.4 | 0 | 0 | 0 | 0 | 109.4 | V88 V119 S120 L122 M518 D520 | V88-V90 HydrophobicContact CG1-CG2 4.19Å; V90-V119 WeakPolarHBondContact O-CA 3.38Å; V90-S120 PolarHBondContact N-O 3.07Å; V90-S120 PolarHBondContact O-N 3.31Å; V90-L122 HydrophobicContact CG2-CD1 3.74Å; V90-L122 HydrophobicContact CG2-CG 4.48Å; V90-M518 HydrophobicContact CB-CE 4.11Å; V90-M518 HydrophobicContact CB-SD 4.46Å; V90-M518 HydrophobicContact CG1-CB 3.74Å; V90-M518 HydrophobicContact CG1-CE 3.63Å; V90-M518 HydrophobicContact CG1-CG 3.86Å; V90-M518 HydrophobicContact CG1-SD 3.55Å; V90-M518 VanDerWaalsContact CG1-SD 3.55Å; V90-D520 WeakPolarHBondContact CG1-OD1 3.36Å; V90-D520 WeakPolarHBondContact CG2-OD1 3.23Å |
| 91 | Y | 85.8 | Confident | 74.1 | Confident | 61 Ų | 61 | 83.6 Ų | 83.6 | 24% | 0.239 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 123.6 | -179.1 | -63.4 | -93.4 | 0 | 0 | 0 | 111 | T89 H116 V119 M518 I519 | T89-Y91 HydrophobicContact CG2-CD2 4.36Å; T89-Y91 HydrophobicContact CG2-CE1 4.44Å; T89-Y91 HydrophobicContact CG2-CE2 3.67Å; Y91-H116 AromaticContact CD1-ND1 3.96Å; Y91-V119 HydrophobicContact CD1-CB 4.44Å; Y91-V119 HydrophobicContact CD1-CG1 3.99Å; Y91-V119 HydrophobicContact CD1-CG2 3.67Å; Y91-V119 HydrophobicContact CE1-CG1 3.84Å; Y91-V119 HydrophobicContact CE1-CG2 3.91Å; Y91-M518 WeakPolarHBondContact O-CA 2.96Å; Y91-I519 PolarHBondContact N-O 3Å; Y91-I519 PolarHBondContact O-N 2.79Å |
| 92 | S | 81.2 | Confident | 73.3 | Confident | 3 Ų | 3 | 77 Ų | 77 | 2% | 0.021 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 111.2 | -179.9 | -57 | 0 | 0 | 0 | 0 | 111.5 | H116 F117 S118 M518 | S92-H116 CarbonylContact O-C 3.46Å; S92-H116 WeakPolarHBondContact O-CA 3.42Å; S92-H116 VanDerWaalsContact O-CB 3.29Å; S92-H116 WeakPolarHBondContact O-CB 3.44Å; S92-F117 WeakPolarHBondContact O-CD1 3.16Å; S92-F117 PolarHBondContact O-N 3.42Å; S92-S118 WeakPolarHBondContact CB-O 3.49Å; S92-S118 WeakPolarHBondContact CB-OG 3.28Å; S92-S118 PolarHBondContact N-O 3.19Å; S92-S118 PolarHBondContact OG-OG 3.01Å; S92-M518 VanDerWaalsContact CA-SD 3.6Å; S92-M518 WeakPolarHBondContact OG-CE 3.19Å; S92-M518 PolarHBondContact OG-SD 2.61Å |
| 93 | F | 85.8 | Confident | 72.4 | Confident | 36 Ų | 36 | 73.1 Ų | 73.1 | 16% | 0.158 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 139.8 | 174.7 | -63.3 | -90 | 0 | 0 | 0 | 112.1 | M112 A113 H116 P516 L517 | F93-M112 HydrophobicContact CB-CB 3.86Å; F93-M112 HydrophobicContact CB-CG 3.95Å; F93-M112 HydrophobicContact CB-SD 4.02Å; F93-M112 HydrophobicContact CD2-SD 4.04Å; F93-M112 HydrophobicContact CG-CB 4.33Å; F93-M112 HydrophobicContact CG-SD 4.1Å; F93-A113 WeakPolarHBondContact CD1-O 3.48Å; F93-H116 HydrophobicContact CD1-CB 3.96Å; F93-H116 HydrophobicContact CE1-CB 3.8Å; F93-H116 HydrophobicContact CE2-CB 4.47Å; F93-H116 HydrophobicContact CG-CB 4.38Å; F93-H116 HydrophobicContact CZ-CB 4.07Å; F93-P516 WeakPolarHBondContact O-CA 3.46Å; F93-L517 PolarHBondContact N-O 3.18Å; F93-L517 PolarHBondContact O-N 3.49Å |
| 94 | A | 75.5 | Confident | 71.1 | Confident | 40 Ų | 40 | 68.5 Ų | 68.5 | 33% | 0.331 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 149.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | M112 A113 F117 | A94-M112 WeakPolarHBondContact O-CA 3.42Å; A94-A113 HydrophobicContact CB-CB 3.93Å; A94-A113 PolarHBondContact O-N 3.45Å; A94-F117 HydrophobicContact CB-CD1 4.25Å |
| 95 | R | 69.3 | Low | 69.8 | Low | 67 Ų | 67 | 62.9 Ų | 62.9 | 25% | 0.253 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 124.2 | 179.7 | -73.2 | -173.1 | 169.2 | 7.7 | -10.6 | 110.6 | S515 P516 R625 | R95-S515 WeakPolarHBondContact CD-O 3.48Å; R95-S515 VanDerWaalsContact CG-O 3.29Å; R95-S515 WeakPolarHBondContact CG-O 3.33Å; R95-S515 PolarHBondContact NE-O 3.42Å; R95-S515 VanDerWaalsContact NE-O 3.12Å; R95-S515 PolarHBondContact NH1-O 2.91Å; R95-P516 PolarHBondContact NH1-O 3.22Å; R95-R625 VanDerWaalsContact CG-CZ 3.44Å |
| 96 | Q | 67.8 | Low | 68.2 | Low | 106 Ų | 106 | 58 Ų | 58 | 50% | 0.495 | 33% | 0.328 | S | S | . | . | | | trans | -109.6 | 170.5 | 163.7 | -71.3 | -176.9 | -24.4 | 0 | 0 | 110.9 | L110 G111 M112 A113 R625 | Q96-L110 CarbonylContact O-C 3.43Å; Q96-G111 CarbonylContact C-O 3.48Å; Q96-G111 WeakPolarHBondContact CA-O 3.46Å; Q96-G111 PolarHBondContact N-O 3.4Å; Q96-G111 PolarHBondContact O-N 3.25Å; Q96-G111 VanDerWaalsContact O-O 3.08Å; Q96-M112 PolarHBondContact OE1-O 3.11Å; Q96-A113 HydrophobicContact CG-CB 4.28Å; Q96-R625 PolarHBondContact O-NH1 3.2Å |
| 97 | Q | 67.2 | Low | 66.8 | Low | 110 Ų | 110 | 62.9 Ų | 62.9 | 51% | 0.514 | 33% | 0.331 | S | S | . | . | | | trans | -144.2 | 137.2 | 179.6 | 178.4 | 174.8 | -38 | 0 | 0 | 108.5 | C108 L110 | Q97-C108 WeakPolarHBondContact CG-SG 3.26Å; Q97-L110 HydrophobicContact CB-CD2 4.08Å; Q97-L110 HydrophobicContact CG-CD2 4.07Å |
| 98 | G | 59.9 | Low | 65.4 | Low | 23 Ų | 23 | 62.8 Ų | 62.8 | 24% | 0.237 | 33% | 0.325 | C | S | . | . | | | trans | -73.4 | 141.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C108 T109 | G98-C108 PolarHBondContact O-SG 3.35Å; G98-T109 PolarHBondContact N-O 3.13Å |
| 99 | F | 57.9 | Low | 63.9 | Low | 197 Ų | 197 | 67.6 Ų | 67.6 | 86% | 0.864 | 35% | 0.354 | S | S | * | . | | | trans | -100.5 | 4.1 | -171.2 | -66.6 | -79.3 | 0 | 0 | 0 | 115.4 | | |
| 100 | S | 54 | Low | 62.6 | Low | 99 Ų | 99 | 69.2 Ų | 69.2 | 69% | 0.692 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -80.2 | -19.8 | -163.4 | 49.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 101 | S | 55.9 | Low | 61.6 | Low | 32 Ų | 32 | 70.3 Ų | 70.3 | 22% | 0.224 | 37% | 0.374 | C | S | . | . | | | trans | -171.1 | 169 | 172.2 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | P103 D343 | S101-P103 VanDerWaalsContact C-CD 3.44Å; S101-P103 WeakPolarHBondContact O-CD 3.35Å; S101-D343 WeakPolarHBondContact CB-OD2 3.3Å |
| 102 | I | 56.8 | Low | 61 | Low | 67 Ų | 67 | 69.7 Ų | 69.7 | 34% | 0.344 | 37% | 0.373 | S | S | . | . | | | trans | -110.1 | 82.3 | 168.9 | -54.6 | -179.8 | 0 | 0 | 0 | 108.2 | D104 R313 V316 D343 P348 | I102-D104 PolarHBondContact O-N 3.18Å; I102-R313 HydrophobicContact CG2-CG 4.2Å; I102-V316 HydrophobicContact CD1-CG1 4.12Å; I102-D343 PolarHBondContact N-OD2 3.07Å; I102-P348 HydrophobicContact CB-CG 4.32Å |
| 103 | P | 54.6 | Low | 60.8 | Low | 22 Ų | 22 | 70.4 Ų | 70.4 | 14% | 0.143 | 38% | 0.38 | C | S | . | . | | | trans | -60 | 128.6 | -177.6 | 20 | -31.2 | 0 | 0 | 0 | 112 | S101 G106 W107 | S101-P103 VanDerWaalsContact C-CD 3.44Å; S101-P103 WeakPolarHBondContact O-CD 3.35Å; P103-G106 VanDerWaalsContact O-CA 3.28Å; P103-G106 WeakPolarHBondContact O-CA 3.48Å; P103-G106 PolarHBondContact O-N 3.42Å; P103-W107 VanDerWaalsContact CG-N 3.31Å; P103-W107 WeakPolarHBondContact CG-O 3.48Å |
| 104 | D | 49.7 | Very low | 60.5 | Low | 40 Ų | 40 | 76.4 Ų | 76.4 | 21% | 0.214 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -57 | -53.7 | 168.4 | 42.2 | 17.6 | 0 | 0 | 0 | 110.5 | I102 G106 R344 F347 | I102-D104 PolarHBondContact O-N 3.18Å; D104-G106 PolarHBondContact O-N 3.32Å; D104-R344 IonicContact OD2-CZ 2.7Å; D104-R344 VanDerWaalsContact OD2-CZ 3.29Å; D104-R344 IonicContact OD2-NE 3.54Å; D104-R344 PolarHBondContact OD2-NE 3.36Å; D104-R344 IonicContact OD2-NH2 2.69Å; D104-R344 PolarHBondContact OD2-NH2 3.28Å; D104-F347 HydrophobicContact CB-CE1 3.81Å; D104-F347 HydrophobicContact CB-CZ 3.77Å |
| 105 | N | 48 | Very low | 60.8 | Low | 110 Ų | 110 | 82.9 Ų | 82.9 | 59% | 0.588 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -81.9 | 69.9 | 170.1 | -69.4 | -31.4 | 0 | 0 | 0 | 109.6 | W107 | N105-W107 PolarHBondContact O-N 2.89Š|
| 106 | G | 47.5 | Very low | 61.6 | Low | 24 Ų | 24 | 83.9 Ų | 83.9 | 25% | 0.247 | 44% | 0.437 | C | S | . | . | | | trans | -52.9 | 110.9 | -155.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | P103 D104 | P103-G106 VanDerWaalsContact O-CA 3.28Å; P103-G106 WeakPolarHBondContact O-CA 3.48Å; P103-G106 PolarHBondContact O-N 3.42Å; D104-G106 PolarHBondContact O-N 3.32Å |
| 107 | W | 48.7 | Very low | 62.6 | Low | 205 Ų | 205 | 84.7 Ų | 84.7 | 78% | 0.777 | 44% | 0.439 | S | S | * | . | | | trans | -128.9 | 88.3 | 163.5 | -68.5 | 97.3 | 0 | 0 | 0 | 111.4 | P103 N105 | P103-W107 VanDerWaalsContact CG-N 3.31Å; P103-W107 WeakPolarHBondContact CG-O 3.48Å; N105-W107 PolarHBondContact O-N 2.89Å |
| 108 | C | 53 | Low | 63.5 | Low | 29 Ų | 29 | 81.6 Ų | 81.6 | 20% | 0.196 | 43% | 0.429 | C | S | . | . | | | trans | -103 | 118.2 | 170 | -165.1 | 0 | 0 | 0 | 0 | 108.5 | Q97 G98 L110 | Q97-C108 WeakPolarHBondContact CG-SG 3.26Å; G98-C108 PolarHBondContact O-SG 3.35Å; C108-L110 PolarHBondContact O-N 2.97Å |
| 109 | T | 52.7 | Low | 64.8 | Low | 110 Ų | 110 | 83.4 Ų | 83.4 | 68% | 0.675 | 44% | 0.435 | S | S | * | . | | | trans | -71.6 | 102.2 | -175.9 | 38.5 | 0 | 0 | 0 | 0 | 110.5 | G98 G111 | G98-T109 PolarHBondContact N-O 3.13Å; T109-G111 PolarHBondContact O-N 3.08Å |
| 110 | L | 58 | Low | 66 | Low | 69 Ų | 69 | 76.3 Ų | 76.3 | 36% | 0.361 | 41% | 0.41 | S | S | . | . | | | trans | -81 | 68.1 | -179.5 | -74.4 | -175.8 | 0 | 0 | 0 | 111 | Q96 Q97 C108 R625 | Q96-L110 CarbonylContact O-C 3.43Å; Q97-L110 HydrophobicContact CB-CD2 4.08Å; Q97-L110 HydrophobicContact CG-CD2 4.07Å; C108-L110 PolarHBondContact O-N 2.97Å; L110-R625 VanDerWaalsContact C-NH2 3.34Å; L110-R625 VanDerWaalsContact O-CZ 3.29Å; L110-R625 PolarHBondContact O-NH2 3.31Å |
| 111 | G | 63.5 | Low | 67.7 | Low | 27 Ų | 27 | 81.8 Ų | 81.8 | 28% | 0.278 | 42% | 0.416 | S | S | . | . | | | trans | -66.6 | 174 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q96 T109 R625 | Q96-G111 CarbonylContact C-O 3.48Å; Q96-G111 WeakPolarHBondContact CA-O 3.46Å; Q96-G111 PolarHBondContact N-O 3.4Å; Q96-G111 PolarHBondContact O-N 3.25Å; Q96-G111 VanDerWaalsContact O-O 3.08Å; T109-G111 PolarHBondContact O-N 3.08Å; G111-R625 PolarHBondContact O-NH2 3.39Å |
| 112 | M | 73.9 | Confident | 69.1 | Low | 47 Ų | 47 | 81.5 Ų | 81.5 | 23% | 0.232 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 148.4 | 177.4 | -68.2 | 174.1 | -57.3 | 0 | 0 | 109.8 | F93 A94 Q96 L517 I519 | F93-M112 HydrophobicContact CB-CB 3.86Å; F93-M112 HydrophobicContact CB-CG 3.95Å; F93-M112 HydrophobicContact CB-SD 4.02Å; F93-M112 HydrophobicContact CD2-SD 4.04Å; F93-M112 HydrophobicContact CG-CB 4.33Å; F93-M112 HydrophobicContact CG-SD 4.1Å; A94-M112 WeakPolarHBondContact O-CA 3.42Å; Q96-M112 PolarHBondContact OE1-O 3.11Å; M112-L517 HydrophobicContact CG-CB 4.15Å; M112-L517 HydrophobicContact CG-CD1 3.69Å; M112-L517 HydrophobicContact SD-CB 4.06Å; M112-L517 HydrophobicContact SD-CD1 4.18Å; M112-I519 HydrophobicContact CE-CD1 3.74Å; M112-I519 HydrophobicContact SD-CD1 3.79Å; M112-I519 HydrophobicContact SD-CG1 4.39Å |
| 113 | A | 77.4 | Confident | 70.5 | Confident | 19 Ų | 19 | 82 Ų | 82 | 16% | 0.157 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 146.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F93 A94 Q96 K115 | F93-A113 WeakPolarHBondContact CD1-O 3.48Å; A94-A113 HydrophobicContact CB-CB 3.93Å; A94-A113 PolarHBondContact O-N 3.45Å; Q96-A113 HydrophobicContact CG-CB 4.28Å; A113-K115 PolarHBondContact O-N 2.73Å |
| 114 | Q | 79.7 | Confident | 71.9 | Confident | 161 Ų | 161 | 84.6 Ų | 84.6 | 75% | 0.752 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | -30.4 | -177.8 | -64.7 | 173.6 | -6.9 | 0 | 0 | 113.1 | | |
| 115 | K | 82.2 | Confident | 73.5 | Confident | 177 Ų | 177 | 91.4 Ų | 91.4 | 77% | 0.77 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 139.3 | 177.1 | -62 | -176.3 | -179 | -179.2 | 0 | 110.3 | A113 | A113-K115 PolarHBondContact O-N 2.73Å |
| 116 | H | 85.3 | Confident | 75.2 | Confident | 88 Ų | 88 | 90.5 Ų | 90.5 | 41% | 0.407 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 152.8 | 165.3 | 59.4 | -100.1 | 0 | 0 | 0 | 109.5 | Y91 S92 F93 V119 | Y91-H116 AromaticContact CD1-ND1 3.96Å; S92-H116 CarbonylContact O-C 3.46Å; S92-H116 WeakPolarHBondContact O-CA 3.42Å; S92-H116 VanDerWaalsContact O-CB 3.29Å; S92-H116 WeakPolarHBondContact O-CB 3.44Å; F93-H116 HydrophobicContact CD1-CB 3.96Å; F93-H116 HydrophobicContact CE1-CB 3.8Å; F93-H116 HydrophobicContact CE2-CB 4.47Å; F93-H116 HydrophobicContact CG-CB 4.38Å; F93-H116 HydrophobicContact CZ-CB 4.07Å; H116-V119 VanDerWaalsContact CD2-CG2 3.4Å; H116-V119 WeakPolarHBondContact CD2-CG2 3.36Å; H116-V119 WeakPolarHBondContact NE2-CG2 3.45Å |
| 117 | F | 88.5 | Confident | 76.9 | Confident | 123 Ų | 123 | 90.6 Ų | 90.6 | 54% | 0.539 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -12.8 | 176 | 70.9 | -98 | 0 | 0 | 0 | 113.3 | S92 A94 P516 | S92-F117 WeakPolarHBondContact O-CD1 3.16Å; S92-F117 PolarHBondContact O-N 3.42Å; A94-F117 HydrophobicContact CB-CD1 4.25Å; F117-P516 HydrophobicContact CE1-CB 3.81Å; F117-P516 HydrophobicContact CE1-CG 4.47Å; F117-P516 HydrophobicContact CZ-CB 3.69Å; F117-P516 HydrophobicContact CZ-CG 3.87Å |
| 118 | S | 85.3 | Confident | 78.6 | Confident | 44 Ų | 44 | 87.2 Ų | 87.2 | 31% | 0.308 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 157.6 | 167.1 | 65.3 | 0 | 0 | 0 | 0 | 111.8 | S92 | S92-S118 WeakPolarHBondContact CB-O 3.49Å; S92-S118 WeakPolarHBondContact CB-OG 3.28Å; S92-S118 PolarHBondContact N-O 3.19Å; S92-S118 PolarHBondContact OG-OG 3.01Å |
| 119 | V | 88.5 | Confident | 80.2 | Confident | 61 Ų | 61 | 89 Ų | 89 | 37% | 0.37 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 139.5 | 174.6 | -172.1 | 0 | 0 | 0 | 0 | 107.6 | T89 V90 Y91 H116 | T89-V119 HydrophobicContact CG2-CG1 3.52Å; V90-V119 WeakPolarHBondContact O-CA 3.38Å; Y91-V119 HydrophobicContact CD1-CB 4.44Å; Y91-V119 HydrophobicContact CD1-CG1 3.99Å; Y91-V119 HydrophobicContact CD1-CG2 3.67Å; Y91-V119 HydrophobicContact CE1-CG1 3.84Å; Y91-V119 HydrophobicContact CE1-CG2 3.91Å; H116-V119 VanDerWaalsContact CD2-CG2 3.4Å; H116-V119 WeakPolarHBondContact CD2-CG2 3.36Å; H116-V119 WeakPolarHBondContact NE2-CG2 3.45Å |
| 120 | S | 83.4 | Confident | 81.7 | Confident | 49 Ų | 49 | 86.8 Ų | 86.8 | 34% | 0.343 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 130.7 | 177.1 | -53.3 | 0 | 0 | 0 | 0 | 110.6 | T89 V90 | T89-S120 WeakPolarHBondContact CA-O 3.3Å; V90-S120 PolarHBondContact N-O 3.07Å; V90-S120 PolarHBondContact O-N 3.31Å |
| 121 | R | 88.5 | Confident | 82.6 | Confident | 213 Ų | 213 | 86.5 Ų | 86.5 | 80% | 0.804 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128.5 | 173.2 | -68.3 | 178.3 | 175.7 | 165.6 | -0.9 | 108.7 | V88 T89 | V88-R121 WeakPolarHBondContact O-CA 3.39Å; T89-R121 HydrophobicContact CG2-CG 4.21Å |
| 122 | L | 85.3 | Confident | 83.6 | Confident | 27 Ų | 27 | 92.8 Ų | 92.8 | 14% | 0.141 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.9 | -173.2 | -58.1 | 170.6 | 0 | 0 | 0 | 110.1 | G87 V88 V90 Q126 H127 L130 | G87-L122 CarbonylContact C-O 3.46Å; G87-L122 VanDerWaalsContact CA-O 3.23Å; G87-L122 WeakPolarHBondContact CA-O 3.34Å; V88-L122 PolarHBondContact N-O 3.4Å; V88-L122 PolarHBondContact O-N 3.11Å; V90-L122 HydrophobicContact CG2-CD1 3.74Å; V90-L122 HydrophobicContact CG2-CG 4.48Å; L122-Q126 HydrophobicContact CD2-CG 4.08Å; L122-H127 HydrophobicContact CB-CB 4.36Å; L122-H127 HydrophobicContact CD1-CB 4.41Å; L122-L130 HydrophobicContact CD1-CD1 3.74Å; L122-L130 HydrophobicContact CD2-CD1 3.86Å; L122-L130 HydrophobicContact CG-CD1 4.44Å |
| 123 | D | 86.1 | Confident | 84.1 | Confident | 78 Ų | 78 | 94 Ų | 94 | 42% | 0.417 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 154.3 | 164.2 | 167.6 | 54.3 | 0 | 0 | 0 | 110.8 | R125 Q126 H127 | D123-R125 PolarHBondContact O-N 3.26Å; D123-R125 WeakPolarHBondContact OD2-CA 3.48Å; D123-R125 WeakPolarHBondContact OD2-CB 3.44Å; D123-R125 PolarHBondContact OD2-N 3.5Å; D123-Q126 HydrophobicContact CB-CB 4.43Å; D123-Q126 WeakPolarHBondContact O-CB 3.35Å; D123-Q126 PolarHBondContact O-N 3.25Å; D123-H127 PolarHBondContact O-N 3.4Å |
| 124 | L | 84.2 | Confident | 84.1 | Confident | 75 Ų | 75 | 98.2 Ų | 98.2 | 39% | 0.393 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -53.2 | -38.1 | 175.4 | -65.7 | 179.2 | 0 | 0 | 0 | 112.9 | F85 V88 K128 | F85-L124 HydrophobicContact CB-CD1 4.07Å; F85-L124 HydrophobicContact CB-CD2 4.17Å; F85-L124 WeakPolarHBondContact O-CD1 3.4Å; V88-L124 HydrophobicContact CG2-CD2 3.98Å; L124-K128 WeakPolarHBondContact O-CB 3.44Å; L124-K128 PolarHBondContact O-N 3.14Å |
| 125 | R | 83.4 | Confident | 84 | Confident | 184 Ų | 184 | 97.8 Ų | 97.8 | 69% | 0.694 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -67.4 | -43.9 | 177.3 | -169.2 | 179.5 | 173.8 | -91 | 4.2 | 110.6 | D123 K128 I129 | D123-R125 PolarHBondContact O-N 3.26Å; D123-R125 WeakPolarHBondContact OD2-CA 3.48Å; D123-R125 WeakPolarHBondContact OD2-CB 3.44Å; D123-R125 PolarHBondContact OD2-N 3.5Å; R125-K128 PolarHBondContact O-N 3.02Å; R125-I129 HydrophobicContact CG-CD1 4.28Å; R125-I129 WeakPolarHBondContact O-CD1 3.43Å; R125-I129 VanDerWaalsContact O-CG1 3.28Å; R125-I129 WeakPolarHBondContact O-CG1 3.25Å; R125-I129 PolarHBondContact O-N 2.79Å |
| 126 | Q | 84.8 | Confident | 83.9 | Confident | 90 Ų | 90 | 97.8 Ų | 97.8 | 42% | 0.421 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.2 | -47.7 | 178.1 | -166.6 | -177 | 10.6 | 0 | 0 | 111 | L122 D123 K128 I129 L130 | L122-Q126 HydrophobicContact CD2-CG 4.08Å; D123-Q126 HydrophobicContact CB-CB 4.43Å; D123-Q126 WeakPolarHBondContact O-CB 3.35Å; D123-Q126 PolarHBondContact O-N 3.25Å; Q126-K128 VanDerWaalsContact C-N 3.35Å; Q126-K128 PolarHBondContact O-N 2.84Å; Q126-I129 WeakPolarHBondContact O-CB 3.41Å; Q126-I129 PolarHBondContact O-N 3.13Å; Q126-I129 VanDerWaalsContact O-N 3.16Å; Q126-L130 HydrophobicContact CG-CD1 4.24Å; Q126-L130 WeakPolarHBondContact O-CG 3.4Å; Q126-L130 PolarHBondContact O-N 3.44Å |
| 127 | H | 82.3 | Confident | 83.6 | Confident | 27 Ų | 27 | 99.3 Ų | 99.3 | 13% | 0.125 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 174.4 | -169.7 | 72.3 | 0 | 0 | 0 | 112.3 | V88 L122 D123 I129 L130 Q131 D520 | V88-H127 HydrophobicContact CB-CB 4.48Å; V88-H127 HydrophobicContact CG2-CB 3.96Å; L122-H127 HydrophobicContact CB-CB 4.36Å; L122-H127 HydrophobicContact CD1-CB 4.41Å; D123-H127 PolarHBondContact O-N 3.4Å; H127-I129 VanDerWaalsContact C-N 3.32Å; H127-I129 PolarHBondContact O-N 3.02Å; H127-L130 PolarHBondContact O-N 3.04Å; H127-Q131 PolarHBondContact NE2-NE2 3.24Å; H127-Q131 WeakPolarHBondContact O-CB 3.31Å; H127-Q131 WeakPolarHBondContact O-CG 3.4Å; H127-Q131 PolarHBondContact O-N 3.09Å; H127-D520 IonicContact CE1-OD1 2.71Å; H127-D520 PolarHBondContact CE1-OD1 3.34Å; H127-D520 IonicContact CE1-OD2 3.76Å; H127-D520 PolarHBondContact CE1-OD2 2.8Å; H127-D520 VanDerWaalsContact NE2-CG 3.27Å; H127-D520 IonicContact NE2-OD1 3.16Å; H127-D520 IonicContact NE2-OD2 2.75Å; H127-D520 PolarHBondContact NE2-OD2 3.03Å |
| 128 | K | 84.6 | Confident | 82.8 | Confident | 133 Ų | 133 | 97.2 Ų | 97.2 | 58% | 0.578 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.7 | -32.1 | 176.5 | -168.4 | 170.6 | -173.4 | 172.5 | 0 | 112.5 | L124 R125 Q126 R132 | L124-K128 WeakPolarHBondContact O-CB 3.44Å; L124-K128 PolarHBondContact O-N 3.14Å; R125-K128 PolarHBondContact O-N 3.02Å; Q126-K128 VanDerWaalsContact C-N 3.35Å; Q126-K128 PolarHBondContact O-N 2.84Å; K128-R132 WeakPolarHBondContact O-CD 3.38Å; K128-R132 VanDerWaalsContact O-CG 3.28Å; K128-R132 WeakPolarHBondContact O-CG 3.41Å; K128-R132 PolarHBondContact O-N 2.89Å |
| 129 | I | 85.9 | Confident | 82.3 | Confident | 68 Ų | 68 | 102.3 Ų | 102.3 | 35% | 0.349 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.6 | -49.4 | 170.9 | -69.7 | 162.7 | 0 | 0 | 0 | 110.4 | R125 Q126 H127 Q131 R132 L133 | R125-I129 HydrophobicContact CG-CD1 4.28Å; R125-I129 WeakPolarHBondContact O-CD1 3.43Å; R125-I129 VanDerWaalsContact O-CG1 3.28Å; R125-I129 WeakPolarHBondContact O-CG1 3.25Å; R125-I129 PolarHBondContact O-N 2.79Å; Q126-I129 WeakPolarHBondContact O-CB 3.41Å; Q126-I129 PolarHBondContact O-N 3.13Å; Q126-I129 VanDerWaalsContact O-N 3.16Å; H127-I129 VanDerWaalsContact C-N 3.32Å; H127-I129 PolarHBondContact O-N 3.02Å; I129-Q131 PolarHBondContact O-N 3.43Å; I129-R132 WeakPolarHBondContact O-CA 3.44Å; I129-R132 WeakPolarHBondContact O-CB 3.29Å; I129-R132 PolarHBondContact O-N 2.98Å; I129-L133 HydrophobicContact CG2-CD1 3.98Å; I129-L133 HydrophobicContact CG2-CG 4.35Å; I129-L133 WeakPolarHBondContact O-CG 3.38Å; I129-L133 PolarHBondContact O-N 3.43Å |
| 130 | L | 83.7 | Confident | 81.6 | Confident | 62 Ų | 62 | 104.7 Ų | 104.7 | 33% | 0.325 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 179.3 | -72.3 | 166.3 | 0 | 0 | 0 | 112.3 | L122 Q126 H127 R132 L133 R134 | L122-L130 HydrophobicContact CD1-CD1 3.74Å; L122-L130 HydrophobicContact CD2-CD1 3.86Å; L122-L130 HydrophobicContact CG-CD1 4.44Å; Q126-L130 HydrophobicContact CG-CD1 4.24Å; Q126-L130 WeakPolarHBondContact O-CG 3.4Å; Q126-L130 PolarHBondContact O-N 3.44Å; H127-L130 PolarHBondContact O-N 3.04Å; L130-R132 VanDerWaalsContact C-N 3.35Å; L130-R132 PolarHBondContact O-N 2.68Å; L130-L133 PolarHBondContact O-N 3.25Å; L130-R134 VanDerWaalsContact O-CB 3.24Å; L130-R134 WeakPolarHBondContact O-CB 3.22Å; L130-R134 PolarHBondContact O-N 3.21Å |
| 131 | Q | 78.7 | Confident | 81 | Confident | 63 Ų | 63 | 105.2 Ų | 105.2 | 29% | 0.294 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 170 | -78.8 | -157.5 | 26.7 | 0 | 0 | 112.4 | H127 I129 R135 | H127-Q131 PolarHBondContact NE2-NE2 3.24Å; H127-Q131 WeakPolarHBondContact O-CB 3.31Å; H127-Q131 WeakPolarHBondContact O-CG 3.4Å; H127-Q131 PolarHBondContact O-N 3.09Å; I129-Q131 PolarHBondContact O-N 3.43Å; Q131-R135 WeakPolarHBondContact O-CB 3.19Å; Q131-R135 VanDerWaalsContact O-CG 3.24Å; Q131-R135 WeakPolarHBondContact O-CG 3.36Å; Q131-R135 PolarHBondContact O-N 3.44Å |
| 132 | R | 84.5 | Confident | 79.8 | Confident | 160 Ų | 160 | 97.5 Ų | 97.5 | 60% | 0.604 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.3 | -41.8 | 178.4 | -76.9 | 170 | 168.2 | -172.1 | -4.6 | 111.7 | K128 I129 L130 R135 R136 | K128-R132 WeakPolarHBondContact O-CD 3.38Å; K128-R132 VanDerWaalsContact O-CG 3.28Å; K128-R132 WeakPolarHBondContact O-CG 3.41Å; K128-R132 PolarHBondContact O-N 2.89Å; I129-R132 WeakPolarHBondContact O-CA 3.44Å; I129-R132 WeakPolarHBondContact O-CB 3.29Å; I129-R132 PolarHBondContact O-N 2.98Å; L130-R132 VanDerWaalsContact C-N 3.35Å; L130-R132 PolarHBondContact O-N 2.68Å; R132-R135 PolarHBondContact O-N 2.86Å; R132-R136 WeakPolarHBondContact O-CG 3.48Å; R132-R136 PolarHBondContact O-N 3.32Å |
| 133 | L | 83.6 | Confident | 78.6 | Confident | 72 Ų | 72 | 103.8 Ų | 103.8 | 38% | 0.377 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.5 | -47.9 | 174.6 | -68.2 | 173.7 | 0 | 0 | 0 | 111.1 | I129 L130 R135 R136 Q137 | I129-L133 HydrophobicContact CG2-CD1 3.98Å; I129-L133 HydrophobicContact CG2-CG 4.35Å; I129-L133 WeakPolarHBondContact O-CG 3.38Å; I129-L133 PolarHBondContact O-N 3.43Å; L130-L133 PolarHBondContact O-N 3.25Å; L133-R135 VanDerWaalsContact C-N 3.34Å; L133-R135 PolarHBondContact O-N 3.44Å; L133-R136 WeakPolarHBondContact O-CB 3.35Å; L133-R136 PolarHBondContact O-N 3.43Å; L133-R136 VanDerWaalsContact O-N 3.09Å; L133-Q137 WeakPolarHBondContact O-CB 3.47Å; L133-Q137 PolarHBondContact O-N 3.41Å |
| 134 | R | 77.2 | Confident | 77.2 | Confident | 107 Ų | 107 | 108.1 Ų | 108.1 | 40% | 0.404 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.9 | -44 | 175.6 | -168.3 | -179.3 | -67.1 | 166.5 | 0.6 | 111.8 | L130 Q138 | L130-R134 VanDerWaalsContact O-CB 3.24Å; L130-R134 WeakPolarHBondContact O-CB 3.22Å; L130-R134 PolarHBondContact O-N 3.21Å; R134-Q138 WeakPolarHBondContact O-CB 3.47Å; R134-Q138 VanDerWaalsContact O-CG 3.23Å; R134-Q138 WeakPolarHBondContact O-CG 3.41Å; R134-Q138 PolarHBondContact O-N 2.87Å |
| 135 | R | 77.5 | Confident | 75.2 | Confident | 153 Ų | 153 | 108.6 Ų | 108.6 | 58% | 0.577 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.2 | -38 | 174.7 | -70.5 | 175.4 | -158.4 | -146.6 | 9.1 | 112.8 | Q131 R132 L133 K139 | Q131-R135 WeakPolarHBondContact O-CB 3.19Å; Q131-R135 VanDerWaalsContact O-CG 3.24Å; Q131-R135 WeakPolarHBondContact O-CG 3.36Å; Q131-R135 PolarHBondContact O-N 3.44Å; R132-R135 PolarHBondContact O-N 2.86Å; L133-R135 VanDerWaalsContact C-N 3.34Å; L133-R135 PolarHBondContact O-N 3.44Å; R135-K139 PolarHBondContact O-N 3.42Å |
| 136 | R | 80.8 | Confident | 73.1 | Confident | 177 Ų | 177 | 105.9 Ų | 105.9 | 67% | 0.668 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.7 | -51.2 | 174.8 | -77.7 | 177.1 | 173.1 | -175.1 | -3.2 | 111.4 | R132 L133 Q138 K139 L140 | R132-R136 WeakPolarHBondContact O-CG 3.48Å; R132-R136 PolarHBondContact O-N 3.32Å; L133-R136 WeakPolarHBondContact O-CB 3.35Å; L133-R136 PolarHBondContact O-N 3.43Å; L133-R136 VanDerWaalsContact O-N 3.09Å; R136-Q138 VanDerWaalsContact C-N 3.29Å; R136-Q138 PolarHBondContact O-N 3.22Å; R136-K139 PolarHBondContact O-N 3.39Å; R136-K139 VanDerWaalsContact O-N 3.11Å; R136-L140 PolarHBondContact O-N 2.84Å |
| 137 | Q | 78.4 | Confident | 71.1 | Confident | 120 Ų | 120 | 110.9 Ų | 110.9 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -56.4 | -44 | 176.4 | -166.8 | -173.2 | 28.4 | 0 | 0 | 110.7 | L133 K139 L140 L141 | L133-Q137 WeakPolarHBondContact O-CB 3.47Å; L133-Q137 PolarHBondContact O-N 3.41Å; Q137-K139 VanDerWaalsContact C-N 3.34Å; Q137-K139 PolarHBondContact O-N 2.68Å; Q137-L140 PolarHBondContact O-N 2.95Å; Q137-L141 HydrophobicContact CG-CD1 3.99Å; Q137-L141 HydrophobicContact CG-CG 4.44Å; Q137-L141 WeakPolarHBondContact O-CB 3.42Å; Q137-L141 WeakPolarHBondContact O-CG 3.48Å; Q137-L141 PolarHBondContact O-N 3.07Å |
| 138 | Q | 71.8 | Confident | 69.6 | Low | 79 Ų | 79 | 115.4 Ų | 115.4 | 37% | 0.369 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.2 | -39.1 | 176.2 | -79.8 | 174 | -14.6 | 0 | 0 | 113.6 | R134 R136 L141 S142 R626 | R134-Q138 WeakPolarHBondContact O-CB 3.47Å; R134-Q138 VanDerWaalsContact O-CG 3.23Å; R134-Q138 WeakPolarHBondContact O-CG 3.41Å; R134-Q138 PolarHBondContact O-N 2.87Å; R136-Q138 VanDerWaalsContact C-N 3.29Å; R136-Q138 PolarHBondContact O-N 3.22Å; Q138-L141 PolarHBondContact O-N 3.22Å; Q138-S142 PolarHBondContact O-N 2.97Å; Q138-S142 PolarHBondContact O-OG 3.31Å; Q138-R626 PolarHBondContact O-NH1 3.15Å; Q138-R626 PolarHBondContact O-NH2 2.91Å; Q138-R626 VanDerWaalsContact O-NH2 3.13Å |
| 139 | K | 74.7 | Confident | 67.6 | Low | 150 Ų | 150 | 114 Ų | 114 | 65% | 0.652 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.4 | -41.2 | 175.9 | -72 | -172 | 175.4 | -160.8 | 0 | 112.7 | R135 R136 Q137 L141 S142 Q143 | R135-K139 PolarHBondContact O-N 3.42Å; R136-K139 PolarHBondContact O-N 3.39Å; R136-K139 VanDerWaalsContact O-N 3.11Å; Q137-K139 VanDerWaalsContact C-N 3.34Å; Q137-K139 PolarHBondContact O-N 2.68Å; K139-L141 VanDerWaalsContact C-N 3.29Å; K139-L141 PolarHBondContact O-N 2.74Å; K139-S142 PolarHBondContact O-N 2.87Å; K139-S142 PolarHBondContact O-OG 3.01Å; K139-S142 VanDerWaalsContact O-OG 3.11Å; K139-Q143 WeakPolarHBondContact O-CG 3.48Å; K139-Q143 PolarHBondContact O-N 2.89Å; K139-Q143 VanDerWaalsContact O-N 3.08Å |
| 140 | L | 75.1 | Confident | 65.2 | Low | 112 Ų | 112 | 118.2 Ų | 118.2 | 59% | 0.586 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.5 | -38.9 | 174.4 | -65.5 | 171.8 | 0 | 0 | 0 | 111.4 | R136 Q137 S142 Q143 K144 | R136-L140 PolarHBondContact O-N 2.84Å; Q137-L140 PolarHBondContact O-N 2.95Å; L140-S142 VanDerWaalsContact C-N 3.32Å; L140-S142 PolarHBondContact O-N 2.46Å; L140-Q143 PolarHBondContact O-N 2.58Å; L140-K144 PolarHBondContact O-N 2.72Å |
| 141 | L | 70.1 | Confident | 63.7 | Low | 60 Ų | 60 | 122.8 Ų | 122.8 | 31% | 0.314 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -72.1 | -17.3 | 178.3 | -69 | 171.5 | 0 | 0 | 0 | 114.4 | Q137 Q138 K139 R628 | Q137-L141 HydrophobicContact CG-CD1 3.99Å; Q137-L141 HydrophobicContact CG-CG 4.44Å; Q137-L141 WeakPolarHBondContact O-CB 3.42Å; Q137-L141 WeakPolarHBondContact O-CG 3.48Å; Q137-L141 PolarHBondContact O-N 3.07Å; Q138-L141 PolarHBondContact O-N 3.22Å; K139-L141 VanDerWaalsContact C-N 3.29Å; K139-L141 PolarHBondContact O-N 2.74Å; L141-R628 PolarHBondContact O-NE 3.38Å; L141-R628 PolarHBondContact O-NH2 2.93Å |
| 142 | S | 62.4 | Low | 62 | Low | 51 Ų | 51 | 124.1 Ų | 124.1 | 36% | 0.357 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -95.9 | -25.2 | 172.5 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | Q138 K139 L140 K144 | Q138-S142 PolarHBondContact O-N 2.97Å; Q138-S142 PolarHBondContact O-OG 3.31Å; K139-S142 PolarHBondContact O-N 2.87Å; K139-S142 PolarHBondContact O-OG 3.01Å; K139-S142 VanDerWaalsContact O-OG 3.11Å; L140-S142 VanDerWaalsContact C-N 3.32Å; L140-S142 PolarHBondContact O-N 2.46Å; S142-K144 PolarHBondContact O-N 3.44Å |
| 143 | Q | 60.1 | Low | 59.7 | Low | 158 Ų | 158 | 120 Ų | 120 | 74% | 0.738 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.6 | -19 | 171.4 | -73.7 | 178.3 | -26.5 | 0 | 0 | 113.3 | K139 L140 C145 | K139-Q143 WeakPolarHBondContact O-CG 3.48Å; K139-Q143 PolarHBondContact O-N 2.89Å; K139-Q143 VanDerWaalsContact O-N 3.08Å; L140-Q143 PolarHBondContact O-N 2.58Å; Q143-C145 VanDerWaalsContact C-N 3.35Å; Q143-C145 PolarHBondContact O-N 3.49Å |
| 144 | K | 57.6 | Low | 57.6 | Low | 169 Ų | 169 | 127.7 Ų | 127.7 | 74% | 0.735 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -97.1 | 42.3 | -174.2 | -148.3 | 166.7 | -173.3 | 178.7 | 0 | 113 | L140 S142 | L140-K144 PolarHBondContact O-N 2.72Å; S142-K144 PolarHBondContact O-N 3.44Å |
| 145 | C | 41.9 | Very low | 55.7 | Low | 86 Ų | 86 | 126.1 Ų | 126.1 | 58% | 0.581 | 66% | 0.662 | S | S | * | * | | | trans | -128.3 | 91.5 | 179.4 | -68.3 | 0 | 0 | 0 | 0 | 109.7 | Q143 F147 | Q143-C145 VanDerWaalsContact C-N 3.35Å; Q143-C145 PolarHBondContact O-N 3.49Å; C145-F147 PolarHBondContact O-N 3.41Å |
| 146 | P | 39.3 | Very low | 54 | Low | 126 Ų | 126 | 130.2 Ų | 130.2 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | | | trans | -93.2 | 54.4 | -165 | 38 | -37.3 | 0 | 0 | 0 | 113.5 | | |
| 147 | F | 42.9 | Very low | 51.7 | Low | 196 Ų | 196 | 124.9 Ų | 124.9 | 86% | 0.86 | 68% | 0.678 | S | S | * | * | | | trans | -146.7 | 63.8 | -176.3 | -131.2 | -83.3 | 0 | 0 | 0 | 115.6 | C145 | C145-F147 PolarHBondContact O-N 3.41Š|
| 148 | V | 49.9 | Very low | 50.3 | Low | 122 Ų | 122 | 128.8 Ų | 128.8 | 74% | 0.739 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -138.7 | 127.7 | 158.7 | -175 | 0 | 0 | 0 | 0 | 108.1 | N150 | V148-N150 PolarHBondContact O-N 3.49Š|
| 149 | P | 44.4 | Very low | 49.2 | Very low | 104 Ų | 104 | 132 Ų | 132 | 68% | 0.675 | 71% | 0.713 | S | S | * | * | | | trans | -65 | 127.3 | 175.3 | 26.7 | -33.4 | 0 | 0 | 0 | 110.3 | I151 | P149-I151 PolarHBondContact O-N 3.37Š|
| 150 | N | 35.6 | Very low | 47.7 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 83% | 0.829 | 73% | 0.725 | S | S | * | * | | | trans | -77.5 | 87.2 | -172.8 | -169.9 | -6.5 | 0 | 0 | 0 | 111.1 | V148 S152 | V148-N150 PolarHBondContact O-N 3.49Å; N150-S152 VanDerWaalsContact C-N 3.28Å; N150-S152 PolarHBondContact O-N 2.89Å |
| 151 | I | 50.4 | Low | 46.5 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | | | trans | -69.9 | 86.5 | 177.2 | -57.6 | -178.8 | 0 | 0 | 0 | 109.8 | P149 G153 | P149-I151 PolarHBondContact O-N 3.37Å; I151-G153 PolarHBondContact O-N 2.92Å |
| 152 | S | 44.8 | Very low | 45 | Very low | 92 Ų | 92 | 144.6 Ų | 144.6 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | | | trans | 13.7 | 94.2 | 166.8 | -162.1 | 0 | 0 | 0 | 0 | 116.5 | N150 R154 | N150-S152 VanDerWaalsContact C-N 3.28Å; N150-S152 PolarHBondContact O-N 2.89Å; S152-R154 PolarHBondContact O-N 3.13Å |
| 153 | G | 35.6 | Very low | 44 | Very low | 73 Ų | 73 | 145.7 Ų | 145.7 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | trans | -61.5 | 95.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I151 G155 | I151-G153 PolarHBondContact O-N 2.92Å; G153-G155 PolarHBondContact O-N 3.07Å |
| 154 | R | 38.3 | Very low | 42.9 | Very low | 234 Ų | 234 | 150.7 Ų | 150.7 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | trans | -84.8 | 32.7 | 165.3 | -74.5 | -170.5 | 168.8 | -164.7 | -2.4 | 113.1 | S152 R156 | S152-R154 PolarHBondContact O-N 3.13Å; R154-R156 PolarHBondContact O-N 3.32Å |
| 155 | G | 38.3 | Very low | 42.1 | Very low | 73 Ų | 73 | 146.4 Ų | 146.4 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | trans | -70.2 | 96.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G153 G157 | G153-G155 PolarHBondContact O-N 3.07Å; G155-G157 PolarHBondContact O-N 2.99Å; G155-G157 VanDerWaalsContact O-N 3.11Å |
| 156 | R | 41 | Very low | 42.3 | Very low | 239 Ų | 239 | 151.4 Ų | 151.4 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | | | trans | -48.6 | 113.9 | -177.2 | -76 | 177.1 | 167.9 | 166.9 | -5.2 | 112.7 | R154 K158 | R154-R156 PolarHBondContact O-N 3.32Å; R156-K158 PolarHBondContact O-N 3.46Å |
| 157 | G | 33.7 | Very low | 42.3 | Very low | 66 Ų | 66 | 156.8 Ų | 156.8 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | | | trans | -63.5 | 114.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | G155 N159 | G155-G157 PolarHBondContact O-N 2.99Å; G155-G157 VanDerWaalsContact O-N 3.11Å; G157-N159 VanDerWaalsContact C-N 3.32Å; G157-N159 PolarHBondContact O-N 2.96Å |
| 158 | K | 49 | Very low | 42.2 | Very low | 201 Ų | 201 | 151.2 Ų | 151.2 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -80.4 | 76.5 | 174.6 | -74.6 | -174.1 | 175.9 | 178.8 | 0 | 111 | R156 K160 | R156-K158 PolarHBondContact O-N 3.46Å; K158-K160 PolarHBondContact O-N 3.49Å |
| 159 | N | 47.8 | Very low | 41.7 | Very low | 147 Ų | 147 | 153.5 Ų | 153.5 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | | | trans | -60.9 | 120.2 | 171.2 | -75.1 | -7.9 | 0 | 0 | 0 | 110.2 | G157 I161 | G157-N159 VanDerWaalsContact C-N 3.32Å; G157-N159 PolarHBondContact O-N 2.96Å; N159-I161 PolarHBondContact O-N 3.44Å |
| 160 | K | 44 | Very low | 41.3 | Very low | 207 Ų | 207 | 152 Ų | 152 | 90% | 0.9 | 82% | 0.82 | S | S | * | * | | | trans | -76.7 | 83.8 | -178.9 | -70.1 | -179.9 | 178.2 | 175.7 | 0 | 111.3 | K158 | K158-K160 PolarHBondContact O-N 3.49Š|
| 161 | I | 48.6 | Very low | 41.5 | Very low | 167 Ų | 167 | 152.8 Ų | 152.8 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | | | trans | -73.6 | 133.4 | 166.5 | -62.3 | -179.2 | 0 | 0 | 0 | 109.2 | N159 | N159-I161 PolarHBondContact O-N 3.44Š|
| 162 | K | 39.3 | Very low | 40.6 | Very low | 212 Ų | 212 | 151.4 Ų | 151.4 | 92% | 0.922 | 83% | 0.826 | S | S | * | * | | | trans | -106.7 | 76.1 | -162.1 | -171.5 | -177.3 | -179.4 | -176.1 | 0 | 110.9 | | |
| 163 | G | 41.2 | Very low | 40.2 | Very low | 74 Ų | 74 | 152.6 Ų | 152.6 | 76% | 0.763 | 83% | 0.834 | S | S | * | * | | | trans | -97.4 | 126.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 164 | R | 37.7 | Very low | 40.5 | Very low | 263 Ų | 263 | 161 Ų | 161 | 99% | 0.992 | 84% | 0.843 | S | S | * | * | | | trans | -87.6 | 128 | 166.6 | -85.1 | 174.8 | 159.4 | 178.9 | -6.2 | 109.5 | | |
| 165 | G | 40.5 | Very low | 40.4 | Very low | 79 Ų | 79 | 155.5 Ų | 155.5 | 81% | 0.814 | 84% | 0.841 | S | S | * | * | | | trans | -147.7 | 149.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 166 | K | 45 | Very low | 40.6 | Very low | 192 Ų | 192 | 158.4 Ų | 158.4 | 84% | 0.835 | 85% | 0.846 | S | S | * | * | | | trans | -127.9 | 152.2 | -173.9 | -88.2 | -175.2 | 174.7 | 179.7 | 0 | 110.9 | | |
| 167 | R | 39.3 | Very low | 40.3 | Very low | 238 Ų | 238 | 150.4 Ų | 150.4 | 90% | 0.898 | 84% | 0.838 | S | S | * | * | | | trans | 69.7 | 151.1 | 164 | -67.9 | 166 | 175.2 | -178.3 | -4.5 | 115.1 | | |
| 168 | A | 41.7 | Very low | 40.3 | Very low | 80 Ų | 80 | 154.6 Ų | 154.6 | 66% | 0.661 | 85% | 0.845 | S | S | * | * | | | cis | -160.1 | 167.2 | -19 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 169 | N | 38.5 | Very low | 39.9 | Very low | 169 Ų | 169 | 151.1 Ų | 151.1 | 90% | 0.904 | 85% | 0.846 | S | S | * | * | | | trans | 37.2 | 114.2 | 157.5 | -60.7 | 9.7 | 0 | 0 | 0 | 119.5 | | |
| 170 | G | 36.8 | Very low | 39.3 | Very low | 74 Ų | 74 | 149.8 Ų | 149.8 | 76% | 0.763 | 85% | 0.847 | S | S | * | * | | | trans | -170.5 | 113 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 171 | L | 39.4 | Very low | 39.2 | Very low | 170 Ų | 170 | 151.7 Ų | 151.7 | 89% | 0.89 | 85% | 0.848 | S | S | * | * | | | trans | -73.8 | 143.5 | 171.7 | -78.6 | 69.7 | 0 | 0 | 0 | 109.2 | | |
| 172 | C | 32.3 | Very low | 38.6 | Very low | 129 Ų | 129 | 149.9 Ų | 149.9 | 87% | 0.872 | 85% | 0.845 | S | S | * | * | | | | 173.9 | 118.8 | 121.3 | -96.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 173 | S | 35.5 | Very low | 38.6 | Very low | 117 Ų | 117 | 146 Ų | 146 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | | | trans | -81.9 | 137 | 159.3 | -54.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 174 | R | 42 | Very low | 38.4 | Very low | 249 Ų | 249 | 149.2 Ų | 149.2 | 94% | 0.94 | 84% | 0.839 | S | S | * | * | | | trans | -178.1 | 156.8 | 144.1 | -101 | 159.7 | 87.8 | -155.8 | 5.6 | 111.6 | | |
| 175 | S | 35.9 | Very low | 38.5 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | | | trans | -106.6 | -169.7 | -179.3 | -40.3 | 0 | 0 | 0 | 0 | 110 | | |
| 176 | P | 43.7 | Very low | 38.5 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 87% | 0.87 | 83% | 0.833 | S | S | * | * | | | | -112.4 | 160.3 | -125.7 | 34.3 | -17 | 0 | 0 | 0 | 115.6 | | |
| 177 | G | 34.6 | Very low | 38.6 | Very low | 71 Ų | 71 | 143.2 Ų | 143.2 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | | | trans | -179.7 | 146.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 178 | D | 33.2 | Very low | 38.8 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | | | trans | 33.2 | 128.4 | 159.3 | -60 | -35.8 | 0 | 0 | 0 | 123.3 | | |
| 179 | S | 41.4 | Very low | 39 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 90% | 0.895 | 83% | 0.83 | S | S | * | * | | | | -165.5 | 121.1 | 127.3 | -83.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 180 | C | 35.2 | Very low | 39.4 | Very low | 118 Ų | 118 | 136 Ų | 136 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | | | trans | -90 | 147.6 | 179.3 | -60.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 181 | R | 41.3 | Very low | 39.1 | Very low | 247 Ų | 247 | 139.7 Ų | 139.7 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | | | trans | -168.1 | 126.3 | 149.6 | -109.2 | 161.2 | -163.9 | -125.8 | 1.4 | 112.4 | | |
| 182 | V | 36.5 | Very low | 39 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | | | trans | -144.8 | 129.3 | 166.4 | -171.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 183 | P | 39.6 | Very low | 39.5 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | | | trans | -82 | 142.2 | 169.5 | -9.8 | 27.7 | 0 | 0 | 0 | 111.7 | | |
| 184 | I | 37 | Very low | 39.7 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 73% | 0.728 | 82% | 0.815 | S | S | * | * | | | trans | -127.2 | 135.2 | 170.3 | -59.9 | 171.9 | 0 | 0 | 0 | 108.1 | | |
| 185 | L | 40 | Very low | 39.2 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 94% | 0.942 | 80% | 0.803 | S | S | * | * | | | trans | -150.4 | 156.1 | 155 | -106.9 | 120.3 | 0 | 0 | 0 | 109.3 | | |
| 186 | S | 38.7 | Very low | 39.4 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | | | trans | -132.7 | 153 | -154.7 | -55.8 | 0 | 0 | 0 | 0 | 114 | | |
| 187 | P | 49.1 | Very low | 38.9 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | trans | -107.7 | 160.4 | -175 | 39.7 | -35 | 0 | 0 | 0 | 116.1 | | |
| 188 | P | 43 | Very low | 39.2 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | trans | -102.6 | 174.1 | 170.2 | 39.4 | -34.2 | 0 | 0 | 0 | 114.8 | | |
| 189 | P | 44.9 | Very low | 39.6 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | -124.9 | -147.6 | 179.1 | 44.9 | -27.9 | 0 | 0 | 0 | 110.6 | | |
| 190 | P | 46.9 | Very low | 39.5 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 66% | 0.662 | 78% | 0.778 | S | S | * | * | | | cis | -133 | -163.4 | -19 | 29.2 | -4.5 | 0 | 0 | 0 | 114.2 | | |
| 191 | L | 31.2 | Very low | 39.6 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | 115.1 | 113.4 | 146.2 | -59.8 | -178.8 | 0 | 0 | 0 | 121.1 | | |
| 192 | S | 38 | Very low | 39.2 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | 74.4 | 152 | 136.9 | -60.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 193 | P | 42.8 | Very low | 39.4 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | | | trans | -116.1 | 157.3 | -168 | 41.2 | -29.6 | 0 | 0 | 0 | 115.2 | | |
| 194 | Q | 38.3 | Very low | 39.1 | Very low | 201 Ų | 201 | 137.4 Ų | 137.4 | 94% | 0.939 | 76% | 0.761 | S | S | * | * | | | trans | -143.3 | 168.2 | 160.4 | -77.5 | -156.8 | -12.3 | 0 | 0 | 112.3 | | |
| 195 | I | 32.9 | Very low | 39.2 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | | | trans | -108.6 | 148.9 | -163.6 | -60.1 | 158.9 | 0 | 0 | 0 | 110.5 | Y197 | I195-Y197 HydrophobicContact CG2-CD2 3.81Å; I195-Y197 HydrophobicContact CG2-CE2 3.5Å; I195-Y197 VanDerWaalsContact CG2-CE2 3.5Å; I195-Y197 HydrophobicContact CG2-CG 4.48Å |
| 196 | S | 38.6 | Very low | 38.9 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | | | trans | -140.8 | 150.3 | 153.2 | -167 | 0 | 0 | 0 | 0 | 110.2 | | |
| 197 | Y | 34.7 | Very low | 38.9 | Very low | 194 Ų | 194 | 137.2 Ų | 137.2 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | | | trans | -110.8 | -168.9 | -171.8 | -77 | -79.9 | 0 | 0 | 0 | 112.3 | I195 | I195-Y197 HydrophobicContact CG2-CD2 3.81Å; I195-Y197 HydrophobicContact CG2-CE2 3.5Å; I195-Y197 VanDerWaalsContact CG2-CE2 3.5Å; I195-Y197 HydrophobicContact CG2-CG 4.48Å |
| 198 | D | 41.1 | Very low | 38.1 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | | | trans | 82 | 131.3 | 171.5 | -76.2 | 9.7 | 0 | 0 | 0 | 116.9 | | |
| 199 | K | 41.3 | Very low | 37.8 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | | | cis | -158.8 | 140.2 | 4.7 | -131.1 | 166.2 | -176.2 | 132.9 | 0 | 114.7 | | |
| 200 | V | 38.4 | Very low | 37.2 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 67% | 0.673 | 76% | 0.761 | S | S | * | * | | | trans | 26.9 | 149.4 | 144.5 | -56.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 201 | N | 37.4 | Very low | 36.7 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | | | cis | -158 | 154.5 | -7.7 | -101.6 | -5.7 | 0 | 0 | 0 | 107.7 | | |
| 202 | F | 32.1 | Very low | 36.7 | Very low | 180 Ų | 180 | 138.7 Ų | 138.7 | 79% | 0.789 | 77% | 0.767 | S | S | * | * | | | | 43.2 | 135.2 | 96.5 | -106.8 | -105.4 | 0 | 0 | 0 | 115.1 | | |
| 203 | V | 41.7 | Very low | 36.8 | Very low | 129 Ų | 129 | 139 Ų | 139 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | | | cis | -140.8 | 164.9 | 41.7 | -166.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 204 | D | 33.4 | Very low | 36.3 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | | | trans | -92.6 | 166.9 | 176.8 | -176.7 | 21.4 | 0 | 0 | 0 | 112.8 | | |
| 205 | H | 38.7 | Very low | 36.4 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | trans | 154.5 | 137.4 | 145.9 | -82.9 | 14.6 | 0 | 0 | 0 | 115 | | |
| 206 | T | 33.7 | Very low | 36.6 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | | | trans | -36.8 | 147.7 | 161.4 | 49.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 207 | D | 38.2 | Very low | 36.6 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | | | | -170.4 | -175.5 | 70.1 | -129.4 | -49.2 | 0 | 0 | 0 | 115.2 | | |
| 208 | N | 32.8 | Very low | 37 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -78.6 | 135.8 | -175.9 | -58.8 | -93.2 | 0 | 0 | 0 | 114.7 | | |
| 209 | A | 36 | Very low | 36.7 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | -158.3 | 143.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 210 | I | 32.9 | Very low | 36.6 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | | | trans | -86.9 | 137.7 | 173.9 | -63.4 | 158.7 | 0 | 0 | 0 | 109.6 | | |
| 211 | S | 36.7 | Very low | 36.5 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | -160.7 | 135.3 | 146.7 | -85.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 212 | S | 32.3 | Very low | 36.1 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | trans | -95.1 | 143.6 | 173.1 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 213 | S | 40 | Very low | 36.3 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -138.8 | 136 | 163.1 | 59.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 214 | H | 31.8 | Very low | 36.3 | Very low | 183 Ų | 183 | 130.6 Ų | 130.6 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | | | trans | -90.5 | 135.3 | -168.4 | -68.8 | -118.3 | 0 | 0 | 0 | 111.4 | | |
| 215 | A | 39.1 | Very low | 36.3 | Very low | 99 Ų | 99 | 130.3 Ų | 130.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -139.1 | 138.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 216 | T | 39.1 | Very low | 36.2 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 137.1 | -164.7 | -33 | 0 | 0 | 0 | 0 | 112.9 | | |
| 217 | P | 38.4 | Very low | 36.4 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 146.5 | 175 | 29.4 | -35.3 | 0 | 0 | 0 | 112.5 | | |
| 218 | L | 42.1 | Very low | 36 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 154.4 | 173.2 | -86.1 | 73.6 | 0 | 0 | 0 | 111.6 | | |
| 219 | P | 35.6 | Very low | 36 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 152.5 | 179.5 | 28.6 | -36 | 0 | 0 | 0 | 112.8 | C221 | P219-C221 PolarHBondContact O-N 2.93Š|
| 220 | P | 38.7 | Very low | 35.8 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 118.8 | -175.3 | 28.4 | -34.8 | 0 | 0 | 0 | 112 | L222 | P220-L222 PolarHBondContact O-N 3.2Š|
| 221 | C | 36.9 | Very low | 35.8 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 120.2 | 176.1 | 46.2 | 0 | 0 | 0 | 0 | 111.6 | P219 S223 | P219-C221 PolarHBondContact O-N 2.93Å; C221-S223 VanDerWaalsContact C-N 3.28Å; C221-S223 PolarHBondContact O-N 3.44Å |
| 222 | L | 28.8 | Very low | 35.5 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -75.3 | 69.9 | -177.5 | -66.9 | 172 | 0 | 0 | 0 | 112.5 | P220 | P220-L222 PolarHBondContact O-N 3.2Š|
| 223 | S | 36.1 | Very low | 35.5 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -159.3 | 132.9 | 167.9 | -79.1 | 0 | 0 | 0 | 0 | 110.9 | C221 P225 | C221-S223 VanDerWaalsContact C-N 3.28Å; C221-S223 PolarHBondContact O-N 3.44Å; S223-P225 WeakPolarHBondContact O-CD 3.48Å |
| 224 | P | 40.4 | Very low | 35.3 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 124.2 | 178.2 | -24.1 | 34.3 | 0 | 0 | 0 | 112.1 | | |
| 225 | P | 34.7 | Very low | 35.4 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 140.3 | 173.4 | -22.6 | 34.1 | 0 | 0 | 0 | 111.1 | S223 | S223-P225 WeakPolarHBondContact O-CD 3.48Š|
| 226 | S | 35.7 | Very low | 35.2 | Very low | 98 Ų | 98 | 145 Ų | 145 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 133.6 | 172.7 | -67.5 | 0 | 0 | 0 | 0 | 110.2 | K228 | S226-K228 VanDerWaalsContact C-N 3.34Å; S226-K228 PolarHBondContact O-N 3.29Å |
| 227 | P | 38.7 | Very low | 35.3 | Very low | 137 Ų | 137 | 143 Ų | 143 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -70.9 | 87.1 | -177.8 | 28.2 | -34.9 | 0 | 0 | 0 | 111.5 | | |
| 228 | K | 30 | Very low | 35.5 | Very low | 184 Ų | 184 | 145.1 Ų | 145.1 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | | | trans | -140.1 | 126.9 | 170 | -70.2 | -176 | 178.5 | 178.1 | 0 | 108.4 | S226 | S226-K228 VanDerWaalsContact C-N 3.34Å; S226-K228 PolarHBondContact O-N 3.29Å |
| 229 | R | 33.1 | Very low | 35.4 | Very low | 233 Ų | 233 | 142.4 Ų | 142.4 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | | | trans | 66.7 | 90.8 | -178.5 | -53.8 | 177.6 | -179.6 | 139.1 | -4.7 | 115.2 | | |
| 230 | F | 31.1 | Very low | 35.4 | Very low | 207 Ų | 207 | 142.1 Ų | 142.1 | 91% | 0.908 | 78% | 0.777 | S | S | * | * | | | trans | -137.8 | 154.8 | 139.8 | -96.4 | -81.3 | 0 | 0 | 0 | 107.9 | | |
| 231 | L | 32.4 | Very low | 35.3 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | | | trans | 66.1 | 74.6 | -173.2 | -53.7 | -176.4 | 0 | 0 | 0 | 115.9 | | |
| 232 | H | 29.9 | Very low | 35.4 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | | -70.9 | 172.3 | 126.2 | -75.1 | -83.4 | 0 | 0 | 0 | 108.9 | | |
| 233 | T | 32.4 | Very low | 36.1 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | 78.8 | 50.1 | 173.5 | -36.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 234 | L | 37.1 | Very low | 36 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -137.7 | 153.4 | 133.4 | -77.6 | -174.5 | 0 | 0 | 0 | 108.3 | E236 | L234-E236 PolarHBondContact O-N 3.04Š|
| 235 | D | 34.1 | Very low | 35.7 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | | | trans | -58.2 | 115.4 | -167.3 | -171 | -17.5 | 0 | 0 | 0 | 113.8 | S237 | D235-S237 VanDerWaalsContact C-N 3.32Å; D235-S237 VanDerWaalsContact CG-OG 3.3Å; D235-S237 PolarHBondContact O-N 2.87Å; D235-S237 WeakPolarHBondContact OD1-CB 3.4Å; D235-S237 PolarHBondContact OD1-N 3.42Å; D235-S237 PolarHBondContact OD1-OG 3.31Å; D235-S237 PolarHBondContact OD2-OG 2.94Å |
| 236 | E | 34.4 | Very low | 35.8 | Very low | 158 Ų | 158 | 138 Ų | 138 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -81.6 | -0.2 | -179.2 | -75.2 | -172.1 | 89.8 | 0 | 0 | 114.1 | L234 L238 | L234-E236 PolarHBondContact O-N 3.04Å; E236-L238 VanDerWaalsContact C-N 3.34Å; E236-L238 PolarHBondContact O-N 3.15Å |
| 237 | S | 39.8 | Very low | 36.1 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -74.3 | -12.3 | -170.4 | 64.8 | 0 | 0 | 0 | 0 | 116.3 | D235 | D235-S237 VanDerWaalsContact C-N 3.32Å; D235-S237 VanDerWaalsContact CG-OG 3.3Å; D235-S237 PolarHBondContact O-N 2.87Å; D235-S237 WeakPolarHBondContact OD1-CB 3.4Å; D235-S237 PolarHBondContact OD1-N 3.42Å; D235-S237 PolarHBondContact OD1-OG 3.31Å; D235-S237 PolarHBondContact OD2-OG 2.94Å |
| 238 | L | 43.2 | Very low | 36 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -112.8 | 7.2 | -169.6 | -141.6 | 81.6 | 0 | 0 | 0 | 116.1 | E236 | E236-L238 VanDerWaalsContact C-N 3.34Å; E236-L238 PolarHBondContact O-N 3.15Å |
| 239 | V | 40 | Very low | 36.3 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 61% | 0.606 | 74% | 0.736 | S | S | * | * | | | trans | -106 | 79.7 | 179.9 | -77.3 | 0 | 0 | 0 | 0 | 112.3 | N241 | V239-N241 PolarHBondContact O-N 3.49Å; V239-N241 PolarHBondContact O-ND2 2.94Å |
| 240 | D | 35.6 | Very low | 36.7 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 57% | 0.567 | 73% | 0.725 | S | S | * | * | | | trans | -64.7 | 104.3 | 170.3 | -169 | -35.8 | 0 | 0 | 0 | 109.8 | S242 I243 | D240-S242 PolarHBondContact O-N 3.27Å; D240-S242 VanDerWaalsContact OD1-CB 3.31Å; D240-S242 WeakPolarHBondContact OD1-CB 3.46Å; D240-S242 PolarHBondContact OD1-N 2.92Å; D240-S242 PolarHBondContact OD1-OG 3.41Å; D240-I243 PolarHBondContact O-N 2.94Å |
| 241 | N | 37.3 | Very low | 37 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 3.3 | -172.5 | -80.1 | -71.2 | 0 | 0 | 0 | 114.7 | V239 | V239-N241 PolarHBondContact O-N 3.49Å; V239-N241 PolarHBondContact O-ND2 2.94Å |
| 242 | S | 38.8 | Very low | 37.4 | Very low | 78 Ų | 78 | 125 Ų | 125 | 55% | 0.545 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.2 | -25.1 | 173.8 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | D240 | D240-S242 PolarHBondContact O-N 3.27Å; D240-S242 VanDerWaalsContact OD1-CB 3.31Å; D240-S242 WeakPolarHBondContact OD1-CB 3.46Å; D240-S242 PolarHBondContact OD1-N 2.92Å; D240-S242 PolarHBondContact OD1-OG 3.41Å |
| 243 | I | 43.1 | Very low | 37.9 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 65% | 0.646 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -70.9 | -36.4 | -170.4 | -60 | 176.9 | 0 | 0 | 0 | 113 | D240 N245 S246 | D240-I243 PolarHBondContact O-N 2.94Å; I243-N245 PolarHBondContact O-N 3.28Å; I243-N245 VanDerWaalsContact O-N 3.16Å; I243-S246 PolarHBondContact O-N 3.16Å |
| 244 | C | 35.3 | Very low | 38.2 | Very low | 98 Ų | 98 | 117 Ų | 117 | 66% | 0.662 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -63.3 | -24.1 | -174 | -77.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 245 | N | 32.3 | Very low | 38.3 | Very low | 149 Ų | 149 | 115.7 Ų | 115.7 | 80% | 0.797 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -91 | 3.6 | -174.5 | -65.6 | -38.6 | 0 | 0 | 0 | 114.2 | I243 | I243-N245 PolarHBondContact O-N 3.28Å; I243-N245 VanDerWaalsContact O-N 3.16Å |
| 246 | S | 37.8 | Very low | 38.5 | Very low | 83 Ų | 83 | 112.8 Ų | 112.8 | 58% | 0.58 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -109.9 | 8.1 | 176.7 | -169.6 | 0 | 0 | 0 | 0 | 113.5 | I243 D248 | I243-S246 PolarHBondContact O-N 3.16Å; S246-D248 PolarHBondContact O-N 3.25Å |
| 247 | L | 41 | Very low | 38.8 | Very low | 109 Ų | 109 | 109.2 Ų | 109.2 | 57% | 0.571 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -80.3 | -15.8 | -166.4 | -159 | 63.5 | 0 | 0 | 0 | 114.3 | F249 | L247-F249 PolarHBondContact O-N 2.83Š|
| 248 | D | 36.8 | Very low | 38.8 | Very low | 165 Ų | 165 | 111.8 Ų | 111.8 | 88% | 0.882 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -77 | 4.9 | -175 | -72.4 | -37.8 | 0 | 0 | 0 | 115.2 | S246 | S246-D248 PolarHBondContact O-N 3.25Š|
| 249 | F | 37.5 | Very low | 38.5 | Very low | 202 Ų | 202 | 111.2 Ų | 111.2 | 89% | 0.886 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -139.9 | 12.5 | -178.5 | -137 | -96.6 | 0 | 0 | 0 | 115.5 | L247 | L247-F249 PolarHBondContact O-N 2.83Š|
| 250 | L | 41.8 | Very low | 38.4 | Very low | 121 Ų | 121 | 115.7 Ų | 115.7 | 63% | 0.634 | 64% | 0.636 | S | S | * | * | | | trans | -102.7 | 100.5 | 178.4 | -68.7 | 177.8 | 0 | 0 | 0 | 112 | T252 | L250-T252 PolarHBondContact O-N 3.2Å; L250-T252 PolarHBondContact O-OG1 3.23Å; L250-T252 VanDerWaalsContact O-OG1 3.1Å |
| 251 | D | 36.3 | Very low | 38.2 | Very low | 106 Ų | 106 | 115.9 Ų | 115.9 | 57% | 0.567 | 64% | 0.641 | S | S | * | * | | | trans | -58.6 | 92.9 | -176.4 | -139.8 | 16.5 | 0 | 0 | 0 | 111.2 | D253 S254 | D251-D253 PolarHBondContact O-N 3.37Å; D251-S254 PolarHBondContact O-N 2.87Å; D251-S254 PolarHBondContact OD2-OG 2.95Å |
| 252 | T | 41.4 | Very low | 38 | Very low | 49 Ų | 49 | 114.3 Ų | 114.3 | 30% | 0.301 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.8 | 16.9 | -165.9 | -26.5 | 0 | 0 | 0 | 0 | 114.1 | L250 R303 R310 | L250-T252 PolarHBondContact O-N 3.2Å; L250-T252 PolarHBondContact O-OG1 3.23Å; L250-T252 VanDerWaalsContact O-OG1 3.1Å; T252-R303 PolarHBondContact OG1-NH1 3.02Å; T252-R310 PolarHBondContact O-NH1 2.94Å |
| 253 | D | 39.6 | Very low | 37.8 | Very low | 75 Ų | 75 | 115.8 Ų | 115.8 | 40% | 0.401 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -143 | 7.7 | -172.9 | -133.2 | 31 | 0 | 0 | 0 | 113.6 | D251 R286 R310 | D251-D253 PolarHBondContact O-N 3.37Å; D253-R286 IonicContact OD1-NH1 2.68Å; D253-R286 IonicContact OD2-CZ 3.63Å; D253-R286 IonicContact OD2-NH1 2.72Å; D253-R286 PolarHBondContact OD2-NH1 3.07Å; D253-R310 IonicContact OD1-NH2 3.29Å; D253-R310 PolarHBondContact OD1-NH2 3.38Å |
| 254 | S | 39.3 | Very low | 37.6 | Very low | 42 Ų | 42 | 115.6 Ų | 115.6 | 29% | 0.294 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.9 | -20.5 | -174.1 | -66 | 0 | 0 | 0 | 0 | 114.9 | D251 A256 | D251-S254 PolarHBondContact O-N 2.87Å; D251-S254 PolarHBondContact OD2-OG 2.95Å; S254-A256 VanDerWaalsContact C-N 3.29Å; S254-A256 PolarHBondContact O-N 3.27Å |
| 255 | E | 40.1 | Very low | 37.5 | Very low | 140 Ų | 140 | 118.3 Ų | 118.3 | 65% | 0.654 | 66% | 0.661 | S | S | * | * | | | trans | -77.5 | 68.6 | -176.5 | -68.9 | -58.9 | 98.7 | 0 | 0 | 114.1 | S257 | E255-S257 PolarHBondContact O-N 3.23Å; E255-S257 WeakPolarHBondContact OE2-CB 3.49Å; E255-S257 PolarHBondContact OE2-OG 2.86Å; E255-S257 VanDerWaalsContact OE2-OG 3.1Å |
| 256 | A | 37.8 | Very low | 37.8 | Very low | 74 Ų | 74 | 116.8 Ų | 116.8 | 61% | 0.612 | 66% | 0.661 | S | S | * | * | | | trans | -92.3 | 52 | 151.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | S254 L258 P280 | S254-A256 VanDerWaalsContact C-N 3.29Å; S254-A256 PolarHBondContact O-N 3.27Å; A256-L258 PolarHBondContact O-N 3.37Å; A256-P280 HydrophobicContact CB-CG 4.27Å |
| 257 | S | 40 | Very low | 37.9 | Very low | 82 Ų | 82 | 118.1 Ų | 118.1 | 57% | 0.573 | 67% | 0.671 | S | S | * | * | | | trans | -79 | 90 | -158.8 | -149.5 | 0 | 0 | 0 | 0 | 112.5 | E255 D259 | E255-S257 PolarHBondContact O-N 3.23Å; E255-S257 WeakPolarHBondContact OE2-CB 3.49Å; E255-S257 PolarHBondContact OE2-OG 2.86Å; E255-S257 VanDerWaalsContact OE2-OG 3.1Å; S257-D259 PolarHBondContact O-N 3.41Å |
| 258 | L | 39.3 | Very low | 37.7 | Very low | 146 Ų | 146 | 122.9 Ų | 122.9 | 76% | 0.764 | 69% | 0.687 | S | S | * | * | | | trans | 20.1 | 84 | 154.1 | -74.2 | 160.4 | 0 | 0 | 0 | 116.2 | A256 H260 | A256-L258 PolarHBondContact O-N 3.37Å; L258-H260 PolarHBondContact O-N 3.16Å |
| 259 | D | 37.1 | Very low | 37.6 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 81% | 0.807 | 69% | 0.688 | S | S | * | * | | | trans | -47.4 | 134.3 | 154.6 | -92.1 | -37.5 | 0 | 0 | 0 | 109.2 | S257 V261 | S257-D259 PolarHBondContact O-N 3.41Å; D259-V261 PolarHBondContact O-N 2.68Å |
| 260 | H | 37.6 | Very low | 37.7 | Very low | 193 Ų | 193 | 122.3 Ų | 122.3 | 89% | 0.894 | 68% | 0.68 | S | S | * | * | | | trans | -43.7 | 101 | -168.7 | -92.1 | 27 | 0 | 0 | 0 | 114.4 | L258 | L258-H260 PolarHBondContact O-N 3.16Š|
| 261 | V | 32.6 | Very low | 37.6 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 67% | 0.673 | 69% | 0.691 | S | S | * | * | | | trans | -101.7 | 112.9 | 154.7 | -175.7 | 0 | 0 | 0 | 0 | 106.5 | D259 S263 | D259-V261 PolarHBondContact O-N 2.68Å; V261-S263 PolarHBondContact O-N 3.15Å |
| 262 | P | 33.7 | Very low | 37.8 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 66% | 0.656 | 70% | 0.701 | S | S | * | * | | | trans | -56.1 | 125.4 | 177.2 | -26.4 | 35.4 | 0 | 0 | 0 | 110.8 | V264 | P262-V264 PolarHBondContact O-N 3.05Š|
| 263 | S | 32.7 | Very low | 37.9 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | | | trans | -72.9 | 73.6 | 178.9 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | V261 N265 | V261-S263 PolarHBondContact O-N 3.15Å; S263-N265 PolarHBondContact O-N 2.85Å |
| 264 | V | 39.3 | Very low | 38.4 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 75% | 0.745 | 74% | 0.736 | S | S | * | * | | | trans | -62.2 | 118.6 | 171.5 | -72 | 0 | 0 | 0 | 0 | 109.5 | P262 S266 | P262-V264 PolarHBondContact O-N 3.05Å; V264-S266 PolarHBondContact O-N 3.3Å |
| 265 | N | 34 | Very low | 39 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | | | trans | -65.2 | 118.2 | -176.4 | -62.5 | -55.6 | 0 | 0 | 0 | 110.3 | S263 | S263-N265 PolarHBondContact O-N 2.85Š|
| 266 | S | 38.5 | Very low | 39.9 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | | | trans | -146.2 | 110.3 | 168.5 | -85.1 | 0 | 0 | 0 | 0 | 111.4 | V264 | V264-S266 PolarHBondContact O-N 3.3Š|
| 267 | S | 40.4 | Very low | 40.9 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | | | trans | -69.6 | 135.1 | -177.8 | -63.7 | 0 | 0 | 0 | 0 | 112.5 | R269 | S267-R269 PolarHBondContact O-N 3.15Š|
| 268 | K | 36.3 | Very low | 42 | Very low | 209 Ų | 209 | 145.4 Ų | 145.4 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | | | trans | 43.7 | 74 | 149.9 | -58.5 | 179.1 | 178.9 | 178.6 | 0 | 116.7 | | |
| 269 | R | 35.2 | Very low | 43.2 | Very low | 239 Ų | 239 | 144.1 Ų | 144.1 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | | | trans | -129.3 | 129.6 | 156 | -93.6 | 176.4 | 83.4 | 162.3 | 0.8 | 112.9 | S267 | S267-R269 PolarHBondContact O-N 3.15Š|
| 270 | T | 39.5 | Very low | 44.5 | Very low | 116 Ų | 116 | 141 Ų | 141 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | | | trans | 34.5 | 113.9 | 154.1 | -40.2 | 0 | 0 | 0 | 0 | 119.1 | N272 | T270-N272 PolarHBondContact O-N 2.93Š|
| 271 | Q | 38.3 | Very low | 46.2 | Very low | 188 Ų | 188 | 136.9 Ų | 136.9 | 88% | 0.879 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 113.7 | 163.8 | -61.7 | -177 | 11.5 | 0 | 0 | 110 | | |
| 272 | N | 41.8 | Very low | 48.2 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -167.2 | -19.5 | 159.1 | -103.4 | -15.7 | 0 | 0 | 0 | 114.5 | T270 S274 | T270-N272 PolarHBondContact O-N 2.93Å; N272-S274 VanDerWaalsContact C-N 3.29Å; N272-S274 PolarHBondContact O-N 3.46Å |
| 273 | S | 42.6 | Very low | 49.6 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 66% | 0.657 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -80 | 7.1 | -176 | -179.5 | 0 | 0 | 0 | 0 | 115.4 | R275 | S273-R275 VanDerWaalsContact C-N 3.28Å; S273-R275 PolarHBondContact O-N 3Å |
| 274 | S | 50.8 | Low | 51.4 | Low | 112 Ų | 112 | 130.5 Ų | 130.5 | 78% | 0.783 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -77.6 | -0.4 | -172.4 | 56 | 0 | 0 | 0 | 0 | 116 | N272 | N272-S274 VanDerWaalsContact C-N 3.29Å; N272-S274 PolarHBondContact O-N 3.46Å |
| 275 | R | 52.3 | Low | 53.1 | Low | 239 Ų | 239 | 126.1 Ų | 126.1 | 90% | 0.902 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -95.5 | -17.2 | -174.6 | -91.3 | -179 | 156.8 | 156.1 | -7 | 115.7 | S273 K277 | S273-R275 VanDerWaalsContact C-N 3.28Å; S273-R275 PolarHBondContact O-N 3Å; R275-K277 VanDerWaalsContact C-N 3.34Å; R275-K277 PolarHBondContact O-N 3.29Å |
| 276 | E | 58.5 | Low | 55 | Low | 120 Ų | 120 | 121.5 Ų | 121.5 | 56% | 0.561 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -89.6 | 5.9 | -168.2 | -61.3 | 172.7 | 127.7 | 0 | 0 | 114.2 | L378 | E276-L378 WeakPolarHBondContact O-CD2 3.43Š|
| 277 | K | 59.2 | Low | 56.6 | Low | 145 Ų | 145 | 118.9 Ų | 118.9 | 63% | 0.63 | 61% | 0.606 | S | S | * | * | | | trans | -130.7 | 112.4 | -173.3 | -143.5 | 172.4 | -175.6 | 176.1 | 0 | 111.3 | R275 M279 | R275-K277 VanDerWaalsContact C-N 3.34Å; R275-K277 PolarHBondContact O-N 3.29Å; K277-M279 VanDerWaalsContact C-N 3.3Å; K277-M279 HydrophobicContact CB-CG 4.03Å; K277-M279 HydrophobicContact CB-SD 4.47Å; K277-M279 HydrophobicContact CD-CE 4.13Å; K277-M279 HydrophobicContact CD-CG 4.41Å; K277-M279 HydrophobicContact CD-SD 3.79Å; K277-M279 HydrophobicContact CG-CE 3.87Å; K277-M279 HydrophobicContact CG-CG 4.14Å; K277-M279 HydrophobicContact CG-SD 3.94Å; K277-M279 PolarHBondContact O-N 2.82Å |
| 278 | L | 62.3 | Low | 58.4 | Low | 131 Ų | 131 | 121.9 Ų | 121.9 | 69% | 0.686 | 60% | 0.6 | S | S | * | * | | | trans | -68.8 | 84.2 | 173.7 | -66.5 | 176 | 0 | 0 | 0 | 110 | L378 | L278-L378 HydrophobicContact CG-CD2 4.46Š|
| 279 | M | 64.6 | Low | 60.4 | Low | 119 Ų | 119 | 116.6 Ų | 116.6 | 59% | 0.586 | 58% | 0.582 | S | S | * | * | | | trans | -94.3 | 141.5 | -176.8 | -62.8 | -78.2 | 72.8 | 0 | 0 | 112.2 | K277 L281 | K277-M279 VanDerWaalsContact C-N 3.3Å; K277-M279 HydrophobicContact CB-CG 4.03Å; K277-M279 HydrophobicContact CB-SD 4.47Å; K277-M279 HydrophobicContact CD-CE 4.13Å; K277-M279 HydrophobicContact CD-CG 4.41Å; K277-M279 HydrophobicContact CD-SD 3.79Å; K277-M279 HydrophobicContact CG-CE 3.87Å; K277-M279 HydrophobicContact CG-CG 4.14Å; K277-M279 HydrophobicContact CG-SD 3.94Å; K277-M279 PolarHBondContact O-N 2.82Å; M279-L281 PolarHBondContact O-N 3.4Å |
| 280 | P | 65.5 | Low | 62.5 | Low | 87 Ų | 87 | 108.1 Ų | 108.1 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | | | trans | -54.9 | 134.3 | 176.1 | -26.9 | 35 | 0 | 0 | 0 | 112.7 | A256 H282 | A256-P280 HydrophobicContact CB-CG 4.27Å; P280-H282 PolarHBondContact O-N 3.29Å; P280-H282 VanDerWaalsContact O-N 3.1Å |
| 281 | L | 73.3 | Confident | 64.5 | Low | 106 Ų | 106 | 110.4 Ų | 110.4 | 56% | 0.555 | 55% | 0.549 | S | S | * | . | | | trans | -65.9 | 113.6 | 173.9 | -66.4 | 179.7 | 0 | 0 | 0 | 110 | M279 R286 L289 | M279-L281 PolarHBondContact O-N 3.4Å; L281-R286 PolarHBondContact O-NE 2.92Å; L281-R286 PolarHBondContact O-NH2 3.44Å; L281-L289 HydrophobicContact CD1-CD2 4.46Å |
| 282 | H | 74.4 | Confident | 66.5 | Low | 124 Ų | 124 | 105.9 Ų | 105.9 | 57% | 0.574 | 54% | 0.539 | S | S | * | . | | | trans | -47.2 | 144.5 | 176.3 | -170.9 | -77.4 | 0 | 0 | 0 | 112 | P280 A284 A285 R286 | P280-H282 PolarHBondContact O-N 3.29Å; P280-H282 VanDerWaalsContact O-N 3.1Å; H282-A284 PolarHBondContact ND1-N 2.88Å; H282-A284 PolarHBondContact O-N 3.43Å; H282-A285 WeakPolarHBondContact O-CA 3.25Å; H282-A285 WeakPolarHBondContact O-CB 3.41Å; H282-A285 PolarHBondContact O-N 3.21Å; H282-R286 PolarHBondContact O-N 3.26Å |
| 283 | S | 63.3 | Low | 68.6 | Low | 14 Ų | 14 | 102.1 Ų | 102.1 | 10% | 0.098 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -45 | -54.8 | -177.3 | 58.4 | 0 | 0 | 0 | 0 | 112.9 | A285 R286 I287 | S283-A285 VanDerWaalsContact C-N 3.31Å; S283-A285 PolarHBondContact O-N 2.95Å; S283-R286 WeakPolarHBondContact O-CB 3.38Å; S283-R286 PolarHBondContact O-N 2.98Å; S283-R286 VanDerWaalsContact O-N 3.15Å; S283-I287 VanDerWaalsContact O-CG1 3.31Å; S283-I287 WeakPolarHBondContact O-CG1 3.28Å; S283-I287 PolarHBondContact O-N 3.48Å |
| 284 | A | 69.9 | Low | 70.5 | Confident | 47 Ų | 47 | 100.4 Ų | 100.4 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.2 | -29.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | H282 R288 | H282-A284 PolarHBondContact ND1-N 2.88Å; H282-A284 PolarHBondContact O-N 3.43Å; A284-R288 VanDerWaalsContact O-CG 3.31Å; A284-R288 WeakPolarHBondContact O-CG 3.5Å; A284-R288 PolarHBondContact O-N 2.93Å; A284-R288 PolarHBondContact O-NE 3.04Å; A284-R288 VanDerWaalsContact O-NE 3.16Å |
| 285 | A | 74.1 | Confident | 71.9 | Confident | 31 Ų | 31 | 95.9 Ų | 95.9 | 26% | 0.256 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -76.2 | -43.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | H282 S283 I287 R288 L289 | H282-A285 WeakPolarHBondContact O-CA 3.25Å; H282-A285 WeakPolarHBondContact O-CB 3.41Å; H282-A285 PolarHBondContact O-N 3.21Å; S283-A285 VanDerWaalsContact C-N 3.31Å; S283-A285 PolarHBondContact O-N 2.95Å; A285-I287 PolarHBondContact O-N 3.43Å; A285-R288 PolarHBondContact O-N 3.32Å; A285-L289 PolarHBondContact O-N 3.44Å |
| 286 | R | 74.3 | Confident | 73 | Confident | 59 Ų | 59 | 90.1 Ų | 90.1 | 22% | 0.223 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -57 | -47.2 | 174.2 | -164.6 | -175.4 | -53.3 | 166.7 | 4.4 | 111.5 | D253 L281 H282 S283 L289 L290 | D253-R286 IonicContact OD1-NH1 2.68Å; D253-R286 IonicContact OD2-CZ 3.63Å; D253-R286 IonicContact OD2-NH1 2.72Å; D253-R286 PolarHBondContact OD2-NH1 3.07Å; L281-R286 PolarHBondContact O-NE 2.92Å; L281-R286 PolarHBondContact O-NH2 3.44Å; H282-R286 PolarHBondContact O-N 3.26Å; S283-R286 WeakPolarHBondContact O-CB 3.38Å; S283-R286 PolarHBondContact O-N 2.98Å; S283-R286 VanDerWaalsContact O-N 3.15Å; R286-L289 PolarHBondContact O-N 3.2Å; R286-L290 HydrophobicContact CG-CD1 4.44Å; R286-L290 WeakPolarHBondContact O-CB 3.24Å; R286-L290 VanDerWaalsContact O-CG 3.31Å; R286-L290 WeakPolarHBondContact O-CG 3.47Å; R286-L290 PolarHBondContact O-N 3.27Å |
| 287 | I | 72.5 | Confident | 73.7 | Confident | 60 Ų | 60 | 92.6 Ų | 92.6 | 31% | 0.308 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 177.5 | -67.2 | 163.5 | 0 | 0 | 0 | 111.6 | S283 A285 L290 R291 I298 | S283-I287 VanDerWaalsContact O-CG1 3.31Å; S283-I287 WeakPolarHBondContact O-CG1 3.28Å; S283-I287 PolarHBondContact O-N 3.48Å; A285-I287 PolarHBondContact O-N 3.43Å; I287-L290 PolarHBondContact O-N 2.91Å; I287-R291 WeakPolarHBondContact O-CB 3.24Å; I287-R291 WeakPolarHBondContact O-CG 3.43Å; I287-R291 PolarHBondContact O-N 2.93Å; I287-I298 HydrophobicContact CG1-CD1 4.42Å |
| 288 | R | 77.1 | Confident | 74.2 | Confident | 176 Ų | 176 | 90.5 Ų | 90.5 | 66% | 0.664 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.4 | -43.4 | 174.7 | -77.2 | -178.2 | -64.5 | -179.1 | 6.1 | 111.8 | A284 A285 R291 S292 | A284-R288 VanDerWaalsContact O-CG 3.31Å; A284-R288 WeakPolarHBondContact O-CG 3.5Å; A284-R288 PolarHBondContact O-N 2.93Å; A284-R288 PolarHBondContact O-NE 3.04Å; A284-R288 VanDerWaalsContact O-NE 3.16Å; A285-R288 PolarHBondContact O-N 3.32Å; R288-R291 PolarHBondContact O-N 2.71Å; R288-S292 WeakPolarHBondContact O-CB 3.47Å; R288-S292 PolarHBondContact O-N 2.82Å; R288-S292 PolarHBondContact O-OG 2.85Å |
| 289 | L | 79.4 | Confident | 74.6 | Confident | 98 Ų | 98 | 88 Ų | 88 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61 | -49.5 | 176.4 | -173.7 | 66.2 | 0 | 0 | 0 | 111.2 | L281 A285 R286 R291 S292 S293 | L281-L289 HydrophobicContact CD1-CD2 4.46Å; A285-L289 PolarHBondContact O-N 3.44Å; R286-L289 PolarHBondContact O-N 3.2Å; L289-R291 PolarHBondContact O-N 3.44Å; L289-S292 PolarHBondContact O-N 3.27Å; L289-S292 PolarHBondContact O-OG 3.1Å; L289-S293 PolarHBondContact O-N 3.33Å; L289-S293 PolarHBondContact O-OG 3.11Å; L289-S293 VanDerWaalsContact O-OG 3.13Å |
| 290 | L | 78.1 | Confident | 75 | Confident | 61 Ų | 61 | 87.4 Ų | 87.4 | 32% | 0.319 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.8 | -46.8 | 176.4 | -73.1 | 170.9 | 0 | 0 | 0 | 112.2 | R286 I287 S292 S293 G294 V295 I298 | R286-L290 HydrophobicContact CG-CD1 4.44Å; R286-L290 WeakPolarHBondContact O-CB 3.24Å; R286-L290 VanDerWaalsContact O-CG 3.31Å; R286-L290 WeakPolarHBondContact O-CG 3.47Å; R286-L290 PolarHBondContact O-N 3.27Å; I287-L290 PolarHBondContact O-N 2.91Å; L290-S292 PolarHBondContact O-N 3.47Å; L290-S293 CarbonylContact O-C 2.85Å; L290-S293 WeakPolarHBondContact O-CA 3.4Å; L290-S293 WeakPolarHBondContact O-CB 3.35Å; L290-S293 PolarHBondContact O-N 3.23Å; L290-G294 PolarHBondContact O-N 3.21Å; L290-V295 HydrophobicContact CB-CB 4.11Å; L290-V295 HydrophobicContact CB-CG2 4.48Å; L290-V295 HydrophobicContact CD2-CG2 4.33Å; L290-V295 VanDerWaalsContact O-CB 3.25Å; L290-V295 WeakPolarHBondContact O-CB 3.44Å; L290-V295 WeakPolarHBondContact O-CG2 3.38Å; L290-V295 PolarHBondContact O-N 2.89Å; L290-I298 HydrophobicContact CD1-CD1 4.21Å |
| 291 | R | 81.6 | Confident | 75.4 | Confident | 163 Ų | 163 | 86.1 Ų | 86.1 | 62% | 0.615 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.3 | -41.9 | 175.9 | -75.3 | 176.1 | 176.8 | 170.1 | 2.4 | 112.3 | I287 R288 L289 S293 G294 V295 | I287-R291 WeakPolarHBondContact O-CB 3.24Å; I287-R291 WeakPolarHBondContact O-CG 3.43Å; I287-R291 PolarHBondContact O-N 2.93Å; R288-R291 PolarHBondContact O-N 2.71Å; L289-R291 PolarHBondContact O-N 3.44Å; R291-S293 PolarHBondContact O-N 2.8Å; R291-G294 PolarHBondContact O-N 3.21Å; R291-V295 WeakPolarHBondContact CA-O 3.37Å; R291-V295 WeakPolarHBondContact CG-O 3.31Å |
| 292 | S | 81.2 | Confident | 75.1 | Confident | 94 Ų | 94 | 86.3 Ų | 86.3 | 66% | 0.657 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.7 | -25.2 | 174.4 | 74.1 | 0 | 0 | 0 | 0 | 113.3 | R288 L289 L290 G294 | R288-S292 WeakPolarHBondContact O-CB 3.47Å; R288-S292 PolarHBondContact O-N 2.82Å; R288-S292 PolarHBondContact O-OG 2.85Å; L289-S292 PolarHBondContact O-N 3.27Å; L289-S292 PolarHBondContact O-OG 3.1Å; L290-S292 PolarHBondContact O-N 3.47Å; S292-G294 VanDerWaalsContact C-N 3.26Å; S292-G294 PolarHBondContact O-N 3.32Å |
| 293 | S | 85.3 | Confident | 74.9 | Confident | 64 Ų | 64 | 85.3 Ų | 85.3 | 45% | 0.448 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 17.7 | 171.8 | -55.3 | 0 | 0 | 0 | 0 | 113.7 | L289 L290 R291 V295 | L289-S293 PolarHBondContact O-N 3.33Å; L289-S293 PolarHBondContact O-OG 3.11Å; L289-S293 VanDerWaalsContact O-OG 3.13Å; L290-S293 CarbonylContact O-C 2.85Å; L290-S293 WeakPolarHBondContact O-CA 3.4Å; L290-S293 WeakPolarHBondContact O-CB 3.35Å; L290-S293 PolarHBondContact O-N 3.23Å; R291-S293 PolarHBondContact O-N 2.8Å; S293-V295 PolarHBondContact O-N 3.22Å |
| 294 | G | 83.5 | Confident | 75.5 | Confident | 59 Ų | 59 | 89.6 Ų | 89.6 | 61% | 0.608 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 12.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L290 R291 S292 V296 | L290-G294 PolarHBondContact O-N 3.21Å; R291-G294 PolarHBondContact O-N 3.21Å; S292-G294 VanDerWaalsContact C-N 3.26Å; S292-G294 PolarHBondContact O-N 3.32Å; G294-V296 PolarHBondContact O-N 3.02Å |
| 295 | V | 78.7 | Confident | 75.7 | Confident | 16 Ų | 16 | 91.4 Ų | 91.4 | 10% | 0.097 | 48% | 0.478 | C | S | . | . | | | trans | -89.9 | 86.5 | 175.5 | -170.2 | 0 | 0 | 0 | 0 | 109.4 | L290 R291 S293 E297 I298 R624 | L290-V295 HydrophobicContact CB-CB 4.11Å; L290-V295 HydrophobicContact CB-CG2 4.48Å; L290-V295 HydrophobicContact CD2-CG2 4.33Å; L290-V295 VanDerWaalsContact O-CB 3.25Å; L290-V295 WeakPolarHBondContact O-CB 3.44Å; L290-V295 WeakPolarHBondContact O-CG2 3.38Å; L290-V295 PolarHBondContact O-N 2.89Å; R291-V295 WeakPolarHBondContact CA-O 3.37Å; R291-V295 WeakPolarHBondContact CG-O 3.31Å; S293-V295 PolarHBondContact O-N 3.22Å; V295-E297 WeakPolarHBondContact CG1-O 3.31Å; V295-I298 HydrophobicContact CG1-CG1 4.46Å; V295-R624 VanDerWaalsContact CG2-NH2 3.29Å |
| 296 | V | 77.3 | Confident | 75.5 | Confident | 118 Ų | 118 | 92.2 Ų | 92.2 | 72% | 0.715 | 48% | 0.482 | S | S | * | . | | | trans | -71.3 | -44.2 | -176.5 | -174 | 0 | 0 | 0 | 0 | 111.8 | G294 | G294-V296 PolarHBondContact O-N 3.02Š|
| 297 | E | 72.3 | Confident | 75.4 | Confident | 172 Ų | 172 | 92.1 Ų | 92.1 | 80% | 0.804 | 49% | 0.49 | S | S | * | . | | | trans | -118.1 | 145.2 | 179.4 | -64.2 | 177.7 | 157.2 | 0 | 0 | 110 | V295 | V295-E297 WeakPolarHBondContact CG1-O 3.31Š|
| 298 | I | 69.1 | Low | 75.7 | Confident | 101 Ų | 101 | 95.6 Ų | 95.6 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | | | trans | -109.2 | 139 | 171.3 | -61.3 | 174.1 | 0 | 0 | 0 | 106.4 | I287 L290 V295 E300 | I287-I298 HydrophobicContact CG1-CD1 4.42Å; L290-I298 HydrophobicContact CD1-CD1 4.21Å; V295-I298 HydrophobicContact CG1-CG1 4.46Å; I298-E300 PolarHBondContact O-N 3.04Å |
| 299 | D | 70.7 | Confident | 75.6 | Confident | 78 Ų | 78 | 90.7 Ų | 90.7 | 42% | 0.417 | 49% | 0.489 | S | S | . | . | | | trans | -77.9 | 108 | -177.2 | -167.8 | -28 | 0 | 0 | 0 | 109.7 | S301 E302 | D299-S301 VanDerWaalsContact CG-OG 3.28Å; D299-S301 PolarHBondContact O-N 3.05Å; D299-S301 VanDerWaalsContact O-N 3.12Å; D299-S301 WeakPolarHBondContact OD1-CB 3.41Å; D299-S301 PolarHBondContact OD1-N 3.18Å; D299-S301 PolarHBondContact OD1-OG 3.07Å; D299-E302 HydrophobicContact CB-CB 4.5Å; D299-E302 WeakPolarHBondContact O-CB 3.35Å; D299-E302 PolarHBondContact O-N 2.98Å |
| 300 | E | 73.2 | Confident | 75.3 | Confident | 108 Ų | 108 | 90.1 Ų | 90.1 | 51% | 0.505 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.1 | -23 | -178.5 | -177.7 | 58.2 | -162.3 | 0 | 0 | 112.7 | I298 E302 R303 | I298-E300 PolarHBondContact O-N 3.04Å; E300-E302 VanDerWaalsContact C-N 3.25Å; E300-E302 PolarHBondContact O-N 2.99Å; E300-R303 WeakPolarHBondContact O-CB 3.18Å; E300-R303 PolarHBondContact O-N 2.79Å; E300-R303 IonicContact OE1-CZ 3.74Å; E300-R303 IonicContact OE1-NE 2.65Å; E300-R303 PolarHBondContact OE1-NE 2.88Å; E300-R303 IonicContact OE1-NH2 3.69Å; E300-R303 PolarHBondContact OE1-NH2 2.92Å; E300-R303 IonicContact OE2-NE 2.65Å |
| 301 | S | 73.5 | Confident | 75.2 | Confident | 59 Ų | 59 | 89.6 Ų | 89.6 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.7 | -25.7 | 172.9 | 72.3 | 0 | 0 | 0 | 0 | 112.8 | D299 R303 L304 V305 | D299-S301 VanDerWaalsContact CG-OG 3.28Å; D299-S301 PolarHBondContact O-N 3.05Å; D299-S301 VanDerWaalsContact O-N 3.12Å; D299-S301 WeakPolarHBondContact OD1-CB 3.41Å; D299-S301 PolarHBondContact OD1-N 3.18Å; D299-S301 PolarHBondContact OD1-OG 3.07Å; S301-R303 VanDerWaalsContact C-N 3.32Å; S301-R303 PolarHBondContact O-N 2.83Å; S301-L304 PolarHBondContact O-N 2.78Å; S301-V305 WeakPolarHBondContact O-CG2 3.33Å; S301-V305 PolarHBondContact O-N 2.85Å |
| 302 | E | 67.3 | Low | 75.1 | Confident | 111 Ų | 111 | 86.7 Ų | 86.7 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.4 | -34.7 | 174.1 | -165.8 | 167.9 | -170.9 | 0 | 0 | 111 | D299 E300 L304 V305 C306 | D299-E302 HydrophobicContact CB-CB 4.5Å; D299-E302 WeakPolarHBondContact O-CB 3.35Å; D299-E302 PolarHBondContact O-N 2.98Å; E300-E302 VanDerWaalsContact C-N 3.25Å; E300-E302 PolarHBondContact O-N 2.99Å; E302-L304 PolarHBondContact O-N 2.91Å; E302-V305 PolarHBondContact O-N 3.28Å; E302-C306 VanDerWaalsContact O-CB 3.3Å; E302-C306 WeakPolarHBondContact O-CB 3.29Å; E302-C306 PolarHBondContact O-N 2.68Å; E302-C306 PolarHBondContact O-SG 3.4Å; E302-C306 VanDerWaalsContact O-SG 3.37Å |
| 303 | R | 70.9 | Confident | 74.9 | Confident | 103 Ų | 103 | 85.6 Ų | 85.6 | 39% | 0.389 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 174.8 | -171.3 | 174.2 | 69.4 | 108.4 | -2.5 | 111.8 | T252 E300 S301 S307 | T252-R303 PolarHBondContact OG1-NH1 3.02Å; E300-R303 WeakPolarHBondContact O-CB 3.18Å; E300-R303 PolarHBondContact O-N 2.79Å; E300-R303 IonicContact OE1-CZ 3.74Å; E300-R303 IonicContact OE1-NE 2.65Å; E300-R303 PolarHBondContact OE1-NE 2.88Å; E300-R303 IonicContact OE1-NH2 3.69Å; E300-R303 PolarHBondContact OE1-NH2 2.92Å; E300-R303 IonicContact OE2-NE 2.65Å; S301-R303 VanDerWaalsContact C-N 3.32Å; S301-R303 PolarHBondContact O-N 2.83Å; R303-S307 WeakPolarHBondContact O-CB 3.49Å; R303-S307 PolarHBondContact O-N 3.36Å |
| 304 | L | 74.8 | Confident | 74.4 | Confident | 103 Ų | 103 | 85.5 Ų | 85.5 | 54% | 0.539 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.2 | -43.4 | 177.6 | -63.2 | 179 | 0 | 0 | 0 | 111.9 | S301 E302 S307 F308 | S301-L304 PolarHBondContact O-N 2.78Å; E302-L304 PolarHBondContact O-N 2.91Å; L304-S307 WeakPolarHBondContact O-CB 3.41Å; L304-S307 PolarHBondContact O-N 3.41Å; L304-F308 PolarHBondContact O-N 2.85Å |
| 305 | V | 74.7 | Confident | 74 | Confident | 85 Ų | 85 | 93 Ų | 93 | 52% | 0.515 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 176.4 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | S301 E302 F308 I309 | S301-V305 WeakPolarHBondContact O-CG2 3.33Å; S301-V305 PolarHBondContact O-N 2.85Å; E302-V305 PolarHBondContact O-N 3.28Å; V305-F308 PolarHBondContact O-N 3.09Å; V305-I309 HydrophobicContact CG1-CD1 3.87Å; V305-I309 VanDerWaalsContact O-CG1 3.3Å; V305-I309 WeakPolarHBondContact O-CG1 3.46Å; V305-I309 PolarHBondContact O-N 3.37Å |
| 306 | C | 69.8 | Low | 74.1 | Confident | 49 Ų | 49 | 95.2 Ų | 95.2 | 33% | 0.331 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 174.2 | -75.1 | 0 | 0 | 0 | 0 | 112.4 | E302 I309 R310 | E302-C306 VanDerWaalsContact O-CB 3.3Å; E302-C306 WeakPolarHBondContact O-CB 3.29Å; E302-C306 PolarHBondContact O-N 2.68Å; E302-C306 PolarHBondContact O-SG 3.4Å; E302-C306 VanDerWaalsContact O-SG 3.37Å; C306-I309 PolarHBondContact O-N 3.37Å; C306-R310 VanDerWaalsContact O-CG 3.3Å; C306-R310 WeakPolarHBondContact O-CG 3.49Å; C306-R310 PolarHBondContact O-N 2.69Å |
| 307 | S | 71.7 | Confident | 74.4 | Confident | 57 Ų | 57 | 90.8 Ų | 90.8 | 40% | 0.399 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 173.9 | -168.6 | 0 | 0 | 0 | 0 | 111.5 | R303 L304 I309 R310 A311 | R303-S307 WeakPolarHBondContact O-CB 3.49Å; R303-S307 PolarHBondContact O-N 3.36Å; L304-S307 WeakPolarHBondContact O-CB 3.41Å; L304-S307 PolarHBondContact O-N 3.41Å; S307-I309 PolarHBondContact O-N 3.17Å; S307-R310 PolarHBondContact O-N 3.24Å; S307-A311 WeakPolarHBondContact O-CB 3.4Å; S307-A311 PolarHBondContact O-N 3.25Å |
| 308 | F | 78.7 | Confident | 75.2 | Confident | 133 Ų | 133 | 82.7 Ų | 82.7 | 58% | 0.583 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.5 | -43.5 | 174.1 | 179.7 | -100.4 | 0 | 0 | 0 | 112.3 | L304 V305 R310 A311 M312 | L304-F308 PolarHBondContact O-N 2.85Å; V305-F308 PolarHBondContact O-N 3.09Å; F308-R310 VanDerWaalsContact C-N 3.35Å; F308-R310 PolarHBondContact O-N 3.13Å; F308-A311 PolarHBondContact O-N 3.02Å; F308-M312 HydrophobicContact CD1-CG 4.12Å; F308-M312 HydrophobicContact CD2-CG 4.43Å; F308-M312 HydrophobicContact CE1-CG 3.65Å; F308-M312 HydrophobicContact CE1-SD 4.46Å; F308-M312 HydrophobicContact CE2-CG 4Å; F308-M312 HydrophobicContact CE2-SD 4.15Å; F308-M312 HydrophobicContact CG-CG 4.49Å; F308-M312 HydrophobicContact CZ-CG 3.58Å; F308-M312 HydrophobicContact CZ-SD 3.83Å; F308-M312 WeakPolarHBondContact O-CG 3.24Å; F308-M312 PolarHBondContact O-N 3.04Å |
| 309 | I | 74.9 | Confident | 76 | Confident | 73 Ų | 73 | 84.5 Ų | 84.5 | 37% | 0.374 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.3 | -39 | 176.8 | -69.7 | 166.1 | 0 | 0 | 0 | 111.6 | V305 C306 S307 R313 | V305-I309 HydrophobicContact CG1-CD1 3.87Å; V305-I309 VanDerWaalsContact O-CG1 3.3Å; V305-I309 WeakPolarHBondContact O-CG1 3.46Å; V305-I309 PolarHBondContact O-N 3.37Å; C306-I309 PolarHBondContact O-N 3.37Å; S307-I309 PolarHBondContact O-N 3.17Å; I309-R313 WeakPolarHBondContact O-CB 3.44Å; I309-R313 WeakPolarHBondContact O-CG 3.48Å; I309-R313 PolarHBondContact O-N 3.05Å |
| 310 | R | 74.9 | Confident | 76.9 | Confident | 85 Ų | 85 | 81 Ų | 81 | 32% | 0.321 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 173.1 | -69.3 | 170.5 | -170.4 | 173.4 | 4.2 | 111 | T252 D253 C306 S307 F308 M312 R313 S314 | T252-R310 PolarHBondContact O-NH1 2.94Å; D253-R310 IonicContact OD1-NH2 3.29Å; D253-R310 PolarHBondContact OD1-NH2 3.38Å; C306-R310 VanDerWaalsContact O-CG 3.3Å; C306-R310 WeakPolarHBondContact O-CG 3.49Å; C306-R310 PolarHBondContact O-N 2.69Å; S307-R310 PolarHBondContact O-N 3.24Å; F308-R310 VanDerWaalsContact C-N 3.35Å; F308-R310 PolarHBondContact O-N 3.13Å; R310-M312 PolarHBondContact O-N 2.98Å; R310-R313 PolarHBondContact O-N 3.06Å; R310-S314 PolarHBondContact O-N 2.87Å; R310-S314 PolarHBondContact O-OG 3.12Å |
| 311 | A | 75.6 | Confident | 77.4 | Confident | 50 Ų | 50 | 76.7 Ų | 76.7 | 41% | 0.413 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.8 | -28.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S307 F308 S314 | S307-A311 WeakPolarHBondContact O-CB 3.4Å; S307-A311 PolarHBondContact O-N 3.25Å; F308-A311 PolarHBondContact O-N 3.02Å; A311-S314 PolarHBondContact O-OG 3.33Å; A311-S314 VanDerWaalsContact O-OG 3.13Å |
| 312 | M | 79.4 | Confident | 77.7 | Confident | 103 Ų | 103 | 80.3 Ų | 80.3 | 51% | 0.507 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -74.4 | -45.8 | 169.2 | -72.4 | -61.3 | -65 | 0 | 0 | 110.8 | F308 R310 S314 R315 V316 | F308-M312 HydrophobicContact CD1-CG 4.12Å; F308-M312 HydrophobicContact CD2-CG 4.43Å; F308-M312 HydrophobicContact CE1-CG 3.65Å; F308-M312 HydrophobicContact CE1-SD 4.46Å; F308-M312 HydrophobicContact CE2-CG 4Å; F308-M312 HydrophobicContact CE2-SD 4.15Å; F308-M312 HydrophobicContact CG-CG 4.49Å; F308-M312 HydrophobicContact CZ-CG 3.58Å; F308-M312 HydrophobicContact CZ-SD 3.83Å; F308-M312 WeakPolarHBondContact O-CG 3.24Å; F308-M312 PolarHBondContact O-N 3.04Å; R310-M312 PolarHBondContact O-N 2.98Å; M312-S314 VanDerWaalsContact C-N 3.31Å; M312-S314 PolarHBondContact O-N 3.22Å; M312-R315 PolarHBondContact O-N 3.46Å; M312-V316 PolarHBondContact O-N 2.91Å |
| 313 | R | 76.9 | Confident | 78.2 | Confident | 70 Ų | 70 | 84.8 Ų | 84.8 | 26% | 0.264 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.2 | -36.2 | 179.8 | -80.4 | -179.6 | 178.6 | 170.4 | 0.7 | 113.3 | I102 I309 R310 R315 V316 F347 | I102-R313 HydrophobicContact CG2-CG 4.2Å; I309-R313 WeakPolarHBondContact O-CB 3.44Å; I309-R313 WeakPolarHBondContact O-CG 3.48Å; I309-R313 PolarHBondContact O-N 3.05Å; R310-R313 PolarHBondContact O-N 3.06Å; R313-R315 PolarHBondContact O-N 2.9Å; R313-V316 PolarHBondContact O-N 3.06Å; R313-F347 VanDerWaalsContact O-CE2 3.23Å; R313-F347 WeakPolarHBondContact O-CE2 3.47Å; R313-F347 WeakPolarHBondContact O-CZ 3.28Å |
| 314 | S | 74.4 | Confident | 78.8 | Confident | 62 Ų | 62 | 84.1 Ų | 84.1 | 43% | 0.434 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 0.1 | 174.5 | 63.7 | 0 | 0 | 0 | 0 | 114.7 | R310 A311 M312 | R310-S314 PolarHBondContact O-N 2.87Å; R310-S314 PolarHBondContact O-OG 3.12Å; A311-S314 PolarHBondContact O-OG 3.33Å; A311-S314 VanDerWaalsContact O-OG 3.13Å; M312-S314 VanDerWaalsContact C-N 3.31Å; M312-S314 PolarHBondContact O-N 3.22Å |
| 315 | R | 75.5 | Confident | 79.3 | Confident | 218 Ų | 218 | 82.1 Ų | 82.1 | 82% | 0.823 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.3 | 13.7 | 178.8 | -60.5 | -178.8 | 176 | -172.3 | -1.8 | 113.8 | M312 R313 | M312-R315 PolarHBondContact O-N 3.46Å; R313-R315 PolarHBondContact O-N 2.9Å |
| 316 | V | 80.2 | Confident | 80.1 | Confident | 62 Ų | 62 | 78.2 Ų | 78.2 | 38% | 0.376 | 42% | 0.416 | S | S | . | . | | | trans | -83.9 | 136.9 | 175.6 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | I102 M312 R313 P348 | I102-V316 HydrophobicContact CD1-CG1 4.12Å; M312-V316 PolarHBondContact O-N 2.91Å; R313-V316 PolarHBondContact O-N 3.06Å; V316-P348 CarbonylContact O-C 3.58Å; V316-P348 VanDerWaalsContact O-CA 3.22Å; V316-P348 WeakPolarHBondContact O-CA 3.3Å; V316-P348 WeakPolarHBondContact O-CB 3.19Å; V316-P348 VanDerWaalsContact O-O 3.05Å |
| 317 | G | 85 | Confident | 81 | Confident | 25 Ų | 25 | 78.9 Ų | 78.9 | 26% | 0.258 | 42% | 0.416 | S | S | . | . | S | Bend | trans | 149.8 | -170.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 318 | C | 88.7 | Confident | 81.7 | Confident | 2 Ų | 2 | 79.3 Ų | 79.3 | 1% | 0.014 | 42% | 0.417 | C | S | . | . | | | trans | -77.8 | 135.2 | 168.1 | 84.1 | 0 | 0 | 0 | 0 | 110.9 | C320 C349 S350 C351 | C318-C320 HydrophobicContact CB-CB 4.29Å; C318-C320 PolarHBondContact O-N 3.23Å; C318-C320 PolarHBondContact SG-O 3.41Å; C318-C349 HydrophobicContact CB-CB 4.2Å; C318-C349 PolarHBondContact N-SG 3.13Å; C318-C349 VanDerWaalsContact N-SG 3.38Å; C318-C349 WeakPolarHBondContact SG-CB 3.43Å; C318-S350 PolarHBondContact O-N 3.29Å; C318-S350 PolarHBondContact O-OG 3.11Å; C318-C351 WeakPolarHBondContact CB-SG 3.47Å; C318-C351 WeakPolarHBondContact SG-CB 3.21Å; C318-C351 PolarHBondContact SG-N 2.85Å; C318-C351 CovalentContact SG-SG 2.05Å; C318-C351 PolarHBondContact SG-SG 3.24Å |
| 319 | N | 86.5 | Confident | 82 | Confident | 138 Ų | 138 | 75.7 Ų | 75.7 | 74% | 0.738 | 42% | 0.417 | S | S | * | . | | | trans | -81.6 | 13.6 | 166.2 | -72.2 | -1.9 | 0 | 0 | 0 | 112.6 | N324 | N319-N324 PolarHBondContact O-ND2 3.41Š|
| 320 | C | 89.5 | Confident | 82.7 | Confident | 5 Ų | 5 | 78.4 Ų | 78.4 | 3% | 0.034 | 43% | 0.428 | C | S | . | . | | | trans | -88 | 137.8 | 176.4 | -47 | 0 | 0 | 0 | 0 | 109.5 | C318 N324 C326 C331 S350 C351 | C318-C320 HydrophobicContact CB-CB 4.29Å; C318-C320 PolarHBondContact O-N 3.23Å; C318-C320 PolarHBondContact SG-O 3.41Å; C320-N324 CarbonylContact C-O 3.39Å; C320-N324 WeakPolarHBondContact CA-O 3.43Å; C320-N324 VanDerWaalsContact CB-O 3.3Å; C320-N324 WeakPolarHBondContact CB-O 3.33Å; C320-C326 HydrophobicContact CB-CB 3.6Å; C320-C331 VanDerWaalsContact SG-CB 3.51Å; C320-C331 VanDerWaalsContact SG-SG 3.63Å; C320-S350 CarbonylContact O-C 3.33Å; C320-S350 WeakPolarHBondContact O-CA 3.35Å; C320-S350 WeakPolarHBondContact O-CB 3.49Å; C320-S350 PolarHBondContact O-OG 3.22Å; C320-C351 WeakPolarHBondContact O-CA 3.34Å; C320-C351 PolarHBondContact O-N 3.4Å |
| 321 | G | 82.9 | Confident | 83.5 | Confident | 17 Ų | 17 | 74.3 Ų | 74.3 | 18% | 0.175 | 41% | 0.413 | C | S | . | . | B | Isolated β-bridge | trans | -174.1 | -156.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | K323 N324 S350 | G321-K323 PolarHBondContact O-N 2.65Å; G321-N324 PolarHBondContact N-O 2.65Å; G321-N324 CarbonylContact O-C 3.51Å; G321-N324 PolarHBondContact O-N 3.32Å; G321-S350 WeakPolarHBondContact CA-O 3.11Å |
| 322 | P | 78.8 | Confident | 84.3 | Confident | 136 Ų | 136 | 74.2 Ų | 74.2 | 88% | 0.883 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -23.1 | -174.9 | -28 | 35.8 | 0 | 0 | 0 | 115.8 | | |
| 323 | K | 79.4 | Confident | 84.9 | Confident | 204 Ų | 204 | 69.7 Ų | 69.7 | 89% | 0.887 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -23.4 | 175.7 | -62 | -175.3 | 178.7 | -176.5 | 0 | 114.1 | G321 | G321-K323 PolarHBondContact O-N 2.65Š|
| 324 | N | 81.7 | Confident | 85.6 | Confident | 90 Ų | 90 | 67 Ų | 67 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | B | Isolated β-bridge | trans | -131.5 | 100.8 | -166 | -71.7 | -9.3 | 0 | 0 | 0 | 108.5 | N319 C320 G321 C326 | N319-N324 PolarHBondContact O-ND2 3.41Å; C320-N324 CarbonylContact C-O 3.39Å; C320-N324 WeakPolarHBondContact CA-O 3.43Å; C320-N324 VanDerWaalsContact CB-O 3.3Å; C320-N324 WeakPolarHBondContact CB-O 3.33Å; G321-N324 PolarHBondContact N-O 2.65Å; G321-N324 CarbonylContact O-C 3.51Å; G321-N324 PolarHBondContact O-N 3.32Å; N324-C326 PolarHBondContact O-N 3.27Å |
| 325 | S | 85.3 | Confident | 86.4 | Confident | 60 Ų | 60 | 68.5 Ų | 68.5 | 42% | 0.42 | 38% | 0.383 | S | S | . | . | | | trans | -56.3 | 131.3 | -180 | 46.9 | 0 | 0 | 0 | 0 | 112.2 | I327 Q330 | S325-I327 PolarHBondContact O-N 3.01Å; S325-I327 VanDerWaalsContact O-N 3.13Å; S325-I327 WeakPolarHBondContact OG-CD1 3.42Å; S325-Q330 PolarHBondContact O-OE1 2.9Å; S325-Q330 PolarHBondContact OG-OE1 3.37Å; S325-Q330 VanDerWaalsContact OG-OE1 3.1Å |
| 326 | C | 92.7 | Very high | 87.1 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.02 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -79.8 | 97.4 | 174.6 | 173.7 | 0 | 0 | 0 | 0 | 109 | C320 N324 C351 C356 R357 | C320-C326 HydrophobicContact CB-CB 3.6Å; N324-C326 PolarHBondContact O-N 3.27Å; C326-C351 HydrophobicContact CB-CB 4.48Å; C326-C356 PolarHBondContact SG-SG 3.38Å; C326-R357 WeakPolarHBondContact O-CA 3.49Å; C326-R357 WeakPolarHBondContact O-CB 3.32Å; C326-R357 PolarHBondContact O-N 3.47Å |
| 327 | I | 88.9 | Confident | 87.6 | Confident | 63 Ų | 63 | 62.6 Ų | 62.6 | 32% | 0.323 | 38% | 0.377 | S | S | . | . | | | trans | -133.5 | 147 | -177.5 | -55.9 | -180 | 0 | 0 | 0 | 107.9 | S325 Q330 C331 | S325-I327 PolarHBondContact O-N 3.01Å; S325-I327 VanDerWaalsContact O-N 3.13Å; S325-I327 WeakPolarHBondContact OG-CD1 3.42Å; I327-Q330 PolarHBondContact O-N 2.85Å; I327-Q330 VanDerWaalsContact O-N 3.12Å; I327-C331 WeakPolarHBondContact O-CB 3.23Å; I327-C331 PolarHBondContact O-N 3.2Å |
| 328 | P | 86.7 | Confident | 87.9 | Confident | 67 Ų | 67 | 65.3 Ų | 65.3 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | 147 | 167.3 | -29.4 | 37.5 | 0 | 0 | 0 | 112.7 | Q330 A334 R357 P359 | P328-Q330 PolarHBondContact O-N 3.29Å; P328-Q330 VanDerWaalsContact O-N 3.14Å; P328-A334 HydrophobicContact CG-CB 4.39Å; P328-R357 WeakPolarHBondContact CD-O 3.3Å; P328-P359 HydrophobicContact CG-CG 4.16Å |
| 329 | G | 84.9 | Confident | 88 | Confident | 57 Ų | 57 | 67.5 Ų | 67.5 | 59% | 0.588 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | -49.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N335 | G329-N335 VanDerWaalsContact CA-OD1 3.24Å; G329-N335 WeakPolarHBondContact CA-OD1 3.16Å; G329-N335 PolarHBondContact N-OD1 2.97Å; G329-N335 PolarHBondContact O-ND2 3.5Å |
| 330 | Q | 89.1 | Confident | 88.2 | Confident | 129 Ų | 129 | 60.9 Ų | 60.9 | 60% | 0.603 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -29.6 | -178.3 | -65.2 | -176.9 | -8.1 | 0 | 0 | 114 | S325 I327 P328 | S325-Q330 PolarHBondContact O-OE1 2.9Å; S325-Q330 PolarHBondContact OG-OE1 3.37Å; S325-Q330 VanDerWaalsContact OG-OE1 3.1Å; I327-Q330 PolarHBondContact O-N 2.85Å; I327-Q330 VanDerWaalsContact O-N 3.12Å; P328-Q330 PolarHBondContact O-N 3.29Å; P328-Q330 VanDerWaalsContact O-N 3.14Å |
| 331 | C | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | | | trans | -96.8 | 119 | -178.3 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | C320 I327 C333 A334 N335 | C320-C331 VanDerWaalsContact SG-CB 3.51Å; C320-C331 VanDerWaalsContact SG-SG 3.63Å; I327-C331 WeakPolarHBondContact O-CB 3.23Å; I327-C331 PolarHBondContact O-N 3.2Å; C331-C333 PolarHBondContact O-N 2.72Å; C331-A334 HydrophobicContact CB-CB 3.84Å; C331-A334 PolarHBondContact O-N 3.16Å; C331-A334 VanDerWaalsContact O-N 3.09Å; C331-N335 VanDerWaalsContact O-CG 3.28Å; C331-N335 PolarHBondContact O-N 3.31Å; C331-N335 PolarHBondContact O-OD1 3.19Å |
| 332 | S | 91.1 | Very high | 88.5 | Confident | 48 Ų | 48 | 61.7 Ų | 61.7 | 34% | 0.336 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -49 | -54.7 | 172.8 | 43.8 | 0 | 0 | 0 | 0 | 111.6 | A334 N335 D336 | S332-A334 VanDerWaalsContact C-N 3.26Å; S332-A334 PolarHBondContact O-N 3.36Å; S332-A334 VanDerWaalsContact O-N 3.15Å; S332-N335 CarbonylContact O-C 3.34Å; S332-N335 WeakPolarHBondContact O-CA 3.46Å; S332-N335 WeakPolarHBondContact O-CB 3.36Å; S332-N335 PolarHBondContact O-N 3Å; S332-D336 WeakPolarHBondContact O-CB 3.35Å; S332-D336 PolarHBondContact O-N 3.47Å; S332-D336 VanDerWaalsContact O-OD2 3.09Å |
| 333 | C | 92.2 | Very high | 88.8 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 5% | 0.054 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.2 | -37.7 | 179.2 | -56.4 | 0 | 0 | 0 | 0 | 113.7 | C331 G337 I338 | C331-C333 PolarHBondContact O-N 2.72Å; C333-G337 PolarHBondContact O-N 3.12Å; C333-I338 CarbonylContact C-O 3.47Å; C333-I338 HydrophobicContact CB-CD1 4.38Å; C333-I338 HydrophobicContact CB-CG1 3.86Å; C333-I338 WeakPolarHBondContact O-CG1 3.39Å; C333-I338 PolarHBondContact O-N 3.41Å |
| 334 | A | 92 | Very high | 88.9 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.1 | -36.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P328 C331 S332 N358 | P328-A334 HydrophobicContact CG-CB 4.39Å; C331-A334 HydrophobicContact CB-CB 3.84Å; C331-A334 PolarHBondContact O-N 3.16Å; C331-A334 VanDerWaalsContact O-N 3.09Å; S332-A334 VanDerWaalsContact C-N 3.26Å; S332-A334 PolarHBondContact O-N 3.36Å; S332-A334 VanDerWaalsContact O-N 3.15Å; A334-N358 WeakPolarHBondContact CA-OD1 3.4Å; A334-N358 HydrophobicContact CB-CB 4.34Å |
| 335 | N | 91.6 | Very high | 88.7 | Confident | 94 Ų | 94 | 53 Ų | 53 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -71.7 | -37 | 176.2 | -60.4 | -6.9 | 0 | 0 | 0 | 111.7 | G329 C331 S332 G337 | G329-N335 VanDerWaalsContact CA-OD1 3.24Å; G329-N335 WeakPolarHBondContact CA-OD1 3.16Å; G329-N335 PolarHBondContact N-OD1 2.97Å; G329-N335 PolarHBondContact O-ND2 3.5Å; C331-N335 VanDerWaalsContact O-CG 3.28Å; C331-N335 PolarHBondContact O-N 3.31Å; C331-N335 PolarHBondContact O-OD1 3.19Å; S332-N335 CarbonylContact O-C 3.34Å; S332-N335 WeakPolarHBondContact O-CA 3.46Å; S332-N335 WeakPolarHBondContact O-CB 3.36Å; S332-N335 PolarHBondContact O-N 3Å; N335-G337 PolarHBondContact O-N 3.45Å |
| 336 | D | 91 | Very high | 88.5 | Confident | 110 Ų | 110 | 54.5 Ų | 54.5 | 59% | 0.588 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -1.1 | -179.7 | -61.7 | -33.3 | 0 | 0 | 0 | 113.2 | S332 I338 | S332-D336 WeakPolarHBondContact O-CB 3.35Å; S332-D336 PolarHBondContact O-N 3.47Å; S332-D336 VanDerWaalsContact O-OD2 3.09Å; D336-I338 HydrophobicContact CB-CD1 4.31Å; D336-I338 HydrophobicContact CB-CG1 4.12Å; D336-I338 PolarHBondContact O-N 3.4Å |
| 337 | G | 90.1 | Very high | 88.1 | Confident | 46 Ų | 46 | 55 Ų | 55 | 47% | 0.474 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 20.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | C333 N335 | C333-G337 PolarHBondContact O-N 3.12Å; N335-G337 PolarHBondContact O-N 3.45Å |
| 338 | I | 90.6 | Very high | 87.9 | Confident | 83 Ų | 83 | 52.4 Ų | 52.4 | 43% | 0.426 | 32% | 0.32 | S | S | . | . | | | trans | -116.9 | 146.9 | -174 | 61.4 | 176.9 | 0 | 0 | 0 | 112.5 | C333 D336 N358 | C333-I338 CarbonylContact C-O 3.47Å; C333-I338 HydrophobicContact CB-CD1 4.38Å; C333-I338 HydrophobicContact CB-CG1 3.86Å; C333-I338 WeakPolarHBondContact O-CG1 3.39Å; C333-I338 PolarHBondContact O-N 3.41Å; D336-I338 HydrophobicContact CB-CD1 4.31Å; D336-I338 HydrophobicContact CB-CG1 4.12Å; D336-I338 PolarHBondContact O-N 3.4Å; I338-N358 PolarHBondContact O-ND2 2.83Å |
| 339 | P | 91.2 | Very high | 88 | Confident | 47 Ų | 47 | 49.4 Ų | 49.4 | 31% | 0.305 | 30% | 0.3 | S | S | . | . | | | trans | -62.9 | 149.2 | 173.6 | 25 | -34 | 0 | 0 | 0 | 111.9 | Q341 N360 G361 | P339-Q341 PolarHBondContact O-N 2.77Å; P339-Q341 VanDerWaalsContact O-N 3.15Å; P339-N360 WeakPolarHBondContact CB-O 3.47Å; P339-G361 WeakPolarHBondContact CA-O 3.32Å |
| 340 | C | 91.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 102.3 | 172.1 | -73.1 | 0 | 0 | 0 | 0 | 110.6 | C349 C351 N358 G361 R362 N363 | C340-C349 HydrophobicContact CB-CB 4.43Å; C340-C351 HydrophobicContact CB-CB 3.97Å; C340-C351 PolarHBondContact SG-SG 3.21Å; C340-N358 PolarHBondContact N-ND2 3.39Å; C340-N358 PolarHBondContact SG-ND2 2.89Å; C340-G361 PolarHBondContact N-O 2.8Å; C340-R362 HydrophobicContact CB-CB 4.44Å; C340-R362 HydrophobicContact CB-CG 4.34Å; C340-R362 WeakPolarHBondContact O-CA 3.45Å; C340-R362 WeakPolarHBondContact O-CG 3.4Å; C340-N363 PolarHBondContact O-N 2.93Å |
| 341 | Q | 89.4 | Confident | 88.2 | Confident | 32 Ų | 32 | 42.5 Ų | 42.5 | 15% | 0.15 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 125.9 | 177 | -172.9 | 72 | 23.8 | 0 | 0 | 111.8 | P339 D343 P348 C349 | P339-Q341 PolarHBondContact O-N 2.77Å; P339-Q341 VanDerWaalsContact O-N 3.15Å; Q341-D343 WeakPolarHBondContact CG-OD1 3.29Å; Q341-D343 PolarHBondContact NE2-OD1 3.43Å; Q341-P348 HydrophobicContact CG-CG 4.29Å; Q341-P348 WeakPolarHBondContact O-CD 3.31Å; Q341-C349 WeakPolarHBondContact O-CB 3.33Å; Q341-C349 PolarHBondContact O-N 3.12Å; Q341-C349 PolarHBondContact O-SG 3.21Å |
| 342 | V | 88.5 | Confident | 88 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 4% | 0.036 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 104.2 | 174.4 | -176.3 | 0 | 0 | 0 | 0 | 109 | R344 C349 C351 N363 E364 F365 | V342-R344 WeakPolarHBondContact CG1-O 3.42Å; V342-C349 HydrophobicContact CG2-CB 3.91Å; V342-C351 WeakPolarHBondContact CG2-O 3.21Å; V342-N363 PolarHBondContact N-O 2.71Å; V342-E364 WeakPolarHBondContact O-CA 3.36Å; V342-F365 PolarHBondContact O-N 3.04Å |
| 343 | D | 85.2 | Confident | 87.8 | Confident | 26 Ų | 26 | 45 Ų | 45 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -28.6 | 178.4 | -63.9 | -22.2 | 0 | 0 | 0 | 112.2 | S101 I102 Q341 F347 F365 | S101-D343 WeakPolarHBondContact CB-OD2 3.3Å; I102-D343 PolarHBondContact N-OD2 3.07Å; Q341-D343 WeakPolarHBondContact CG-OD1 3.29Å; Q341-D343 PolarHBondContact NE2-OD1 3.43Å; D343-F347 WeakPolarHBondContact CA-O 3.39Å; D343-F347 HydrophobicContact CB-CD1 4.45Å; D343-F347 PolarHBondContact N-O 2.91Å; D343-F365 HydrophobicContact CB-CB 4.22Å |
| 344 | R | 80.5 | Confident | 87.4 | Confident | 135 Ų | 135 | 52.7 Ų | 52.7 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 173.2 | 170.2 | 56.9 | -171.3 | 172.7 | 85 | -6.6 | 109.8 | D104 V342 S346 F347 | D104-R344 IonicContact OD2-CZ 2.7Å; D104-R344 VanDerWaalsContact OD2-CZ 3.29Å; D104-R344 IonicContact OD2-NE 3.54Å; D104-R344 PolarHBondContact OD2-NE 3.36Å; D104-R344 IonicContact OD2-NH2 2.69Å; D104-R344 PolarHBondContact OD2-NH2 3.28Å; V342-R344 WeakPolarHBondContact CG1-O 3.42Å; R344-S346 PolarHBondContact O-N 2.77Å; R344-S346 VanDerWaalsContact O-N 3.1Å; R344-F347 HydrophobicContact CG-CB 3.86Å; R344-F347 HydrophobicContact CG-CD1 4.19Å; R344-F347 HydrophobicContact CG-CG 4.46Å; R344-F347 PolarHBondContact N-O 3.27Å; R344-F347 PolarHBondContact O-N 3.11Å |
| 345 | A | 78.3 | Confident | 87.1 | Confident | 87 Ų | 87 | 53.9 Ų | 53.9 | 72% | 0.719 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 120.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F347 | A345-F347 VanDerWaalsContact C-N 3.32Å; A345-F347 PolarHBondContact O-N 3.36Å |
| 346 | S | 81.5 | Confident | 87.1 | Confident | 92 Ų | 92 | 50.7 Ų | 50.7 | 64% | 0.643 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 23.1 | -176 | 60.7 | 0 | 0 | 0 | 0 | 117.4 | R344 C349 | R344-S346 PolarHBondContact O-N 2.77Å; R344-S346 VanDerWaalsContact O-N 3.1Å; S346-C349 CarbonylContact C-O 3.55Å |
| 347 | F | 83.6 | Confident | 87.1 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 5% | 0.053 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 133.7 | 175.5 | -178.8 | -95.4 | 0 | 0 | 0 | 113.2 | D104 R313 D343 R344 A345 C349 | D104-F347 HydrophobicContact CB-CE1 3.81Å; D104-F347 HydrophobicContact CB-CZ 3.77Å; R313-F347 VanDerWaalsContact O-CE2 3.23Å; R313-F347 WeakPolarHBondContact O-CE2 3.47Å; R313-F347 WeakPolarHBondContact O-CZ 3.28Å; D343-F347 WeakPolarHBondContact CA-O 3.39Å; D343-F347 HydrophobicContact CB-CD1 4.45Å; D343-F347 PolarHBondContact N-O 2.91Å; R344-F347 HydrophobicContact CG-CB 3.86Å; R344-F347 HydrophobicContact CG-CD1 4.19Å; R344-F347 HydrophobicContact CG-CG 4.46Å; R344-F347 PolarHBondContact N-O 3.27Å; R344-F347 PolarHBondContact O-N 3.11Å; A345-F347 VanDerWaalsContact C-N 3.32Å; A345-F347 PolarHBondContact O-N 3.36Å; F347-C349 PolarHBondContact N-O 3.07Å |
| 348 | P | 84.7 | Confident | 87.2 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 7% | 0.065 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | -59.8 | -48.5 | -13 | -25.9 | 35.3 | 0 | 0 | 0 | 112 | I102 V316 Q341 | I102-P348 HydrophobicContact CB-CG 4.32Å; V316-P348 CarbonylContact O-C 3.58Å; V316-P348 VanDerWaalsContact O-CA 3.22Å; V316-P348 WeakPolarHBondContact O-CA 3.3Å; V316-P348 WeakPolarHBondContact O-CB 3.19Å; V316-P348 VanDerWaalsContact O-O 3.05Å; Q341-P348 HydrophobicContact CG-CG 4.29Å; Q341-P348 WeakPolarHBondContact O-CD 3.31Å |
| 349 | C | 89.6 | Confident | 87.2 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.02 | 32% | 0.316 | C | S | . | . | | | trans | -82.5 | 146.2 | 178.8 | -65.6 | 0 | 0 | 0 | 0 | 112.7 | C318 C340 Q341 V342 S346 F347 C351 | C318-C349 HydrophobicContact CB-CB 4.2Å; C318-C349 PolarHBondContact N-SG 3.13Å; C318-C349 VanDerWaalsContact N-SG 3.38Å; C318-C349 WeakPolarHBondContact SG-CB 3.43Å; C340-C349 HydrophobicContact CB-CB 4.43Å; Q341-C349 WeakPolarHBondContact O-CB 3.33Å; Q341-C349 PolarHBondContact O-N 3.12Å; Q341-C349 PolarHBondContact O-SG 3.21Å; V342-C349 HydrophobicContact CG2-CB 3.91Å; S346-C349 CarbonylContact C-O 3.55Å; F347-C349 PolarHBondContact N-O 3.07Å; C349-C351 VanDerWaalsContact C-N 3.31Å; C349-C351 HydrophobicContact CB-CB 4.01Å |
| 350 | S | 88.3 | Confident | 87.2 | Confident | 40 Ų | 40 | 54.5 Ų | 54.5 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | | | trans | -90.1 | 4.5 | 163.8 | 48.1 | 0 | 0 | 0 | 0 | 114.1 | C318 C320 G321 A352 | C318-S350 PolarHBondContact O-N 3.29Å; C318-S350 PolarHBondContact O-OG 3.11Å; C320-S350 CarbonylContact O-C 3.33Å; C320-S350 WeakPolarHBondContact O-CA 3.35Å; C320-S350 WeakPolarHBondContact O-CB 3.49Å; C320-S350 PolarHBondContact O-OG 3.22Å; G321-S350 WeakPolarHBondContact CA-O 3.11Å; S350-A352 PolarHBondContact O-N 3.25Å; S350-A352 VanDerWaalsContact O-N 3.1Å |
| 351 | C | 89.9 | Confident | 87.2 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | | | trans | -62 | 103.9 | 178.4 | -70.2 | 0 | 0 | 0 | 0 | 111.1 | C318 C320 C326 C340 V342 C349 C356 R362 | C318-C351 WeakPolarHBondContact CB-SG 3.47Å; C318-C351 WeakPolarHBondContact SG-CB 3.21Å; C318-C351 PolarHBondContact SG-N 2.85Å; C318-C351 CovalentContact SG-SG 2.05Å; C318-C351 PolarHBondContact SG-SG 3.24Å; C320-C351 WeakPolarHBondContact O-CA 3.34Å; C320-C351 PolarHBondContact O-N 3.4Å; C326-C351 HydrophobicContact CB-CB 4.48Å; C340-C351 HydrophobicContact CB-CB 3.97Å; C340-C351 PolarHBondContact SG-SG 3.21Å; V342-C351 WeakPolarHBondContact CG2-O 3.21Å; C349-C351 VanDerWaalsContact C-N 3.31Å; C349-C351 HydrophobicContact CB-CB 4.01Å; C351-C356 HydrophobicContact CB-CB 4.49Å; C351-R362 PolarHBondContact O-NE 3.1Å |
| 352 | A | 87.2 | Confident | 87.2 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 38% | 0.38 | 34% | 0.337 | S | S | . | . | | | trans | -67.3 | 157.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S350 G355 C356 | S350-A352 PolarHBondContact O-N 3.25Å; S350-A352 VanDerWaalsContact O-N 3.1Å; A352-G355 PolarHBondContact O-N 3.49Å; A352-C356 VanDerWaalsContact O-CB 3.31Å; A352-C356 WeakPolarHBondContact O-CB 3.49Å; A352-C356 PolarHBondContact O-N 3.37Å; A352-C356 VanDerWaalsContact O-N 3.15Å |
| 353 | A | 86.1 | Confident | 87.2 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 44% | 0.438 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -59.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G355 | A353-G355 PolarHBondContact O-N 2.97Š|
| 354 | D | 84.9 | Confident | 87.4 | Confident | 170 Ų | 170 | 64.8 Ų | 64.8 | 91% | 0.909 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -9.9 | -175.5 | -38.1 | -74.3 | 0 | 0 | 0 | 113.4 | | |
| 355 | G | 85.3 | Confident | 87.5 | Confident | 37 Ų | 37 | 61.7 Ų | 61.7 | 38% | 0.381 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 0.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A352 A353 | A352-G355 PolarHBondContact O-N 3.49Å; A353-G355 PolarHBondContact O-N 2.97Å |
| 356 | C | 91.4 | Very high | 87.7 | Confident | 27 Ų | 27 | 59.3 Ų | 59.3 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -92.1 | 112.1 | -177.3 | -168.6 | 0 | 0 | 0 | 0 | 111.9 | C326 C351 A352 R362 | C326-C356 PolarHBondContact SG-SG 3.38Å; C351-C356 HydrophobicContact CB-CB 4.49Å; A352-C356 VanDerWaalsContact O-CB 3.31Å; A352-C356 WeakPolarHBondContact O-CB 3.49Å; A352-C356 PolarHBondContact O-N 3.37Å; A352-C356 VanDerWaalsContact O-N 3.15Å; C356-R362 HydrophobicContact CB-CB 4.17Å; C356-R362 HydrophobicContact CB-CG 4.39Å |
| 357 | R | 91.9 | Very high | 87.8 | Confident | 188 Ų | 188 | 62.2 Ų | 62.2 | 71% | 0.709 | 34% | 0.339 | S | S | * | . | | | trans | -108.8 | 30.7 | 174.2 | -48.7 | -175 | 174.1 | -153.3 | -3.6 | 112 | C326 P328 P359 | C326-R357 WeakPolarHBondContact O-CA 3.49Å; C326-R357 WeakPolarHBondContact O-CB 3.32Å; C326-R357 PolarHBondContact O-N 3.47Å; P328-R357 WeakPolarHBondContact CD-O 3.3Å; R357-P359 WeakPolarHBondContact O-CD 3.3Å |
| 358 | N | 91.8 | Very high | 87.7 | Confident | 10 Ų | 10 | 66.3 Ų | 66.3 | 5% | 0.053 | 36% | 0.358 | C | S | . | . | | | trans | -70.3 | 119.4 | 171.5 | -177.2 | -6.4 | 0 | 0 | 0 | 109.1 | A334 I338 C340 N360 G361 | A334-N358 WeakPolarHBondContact CA-OD1 3.4Å; A334-N358 HydrophobicContact CB-CB 4.34Å; I338-N358 PolarHBondContact O-ND2 2.83Å; C340-N358 PolarHBondContact N-ND2 3.39Å; C340-N358 PolarHBondContact SG-ND2 2.89Å; N358-N360 PolarHBondContact O-N 3.06Å; N358-N360 WeakPolarHBondContact OD1-CB 3.33Å; N358-N360 PolarHBondContact OD1-N 2.77Å; N358-N360 PolarHBondContact OD1-ND2 3.23Å; N358-G361 PolarHBondContact O-N 3.12Å |
| 359 | P | 91.4 | Very high | 87.5 | Confident | 99 Ų | 99 | 70.9 Ų | 70.9 | 64% | 0.643 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -23.2 | -179.9 | 27 | -35.9 | 0 | 0 | 0 | 112.9 | P328 R357 G361 | P328-P359 HydrophobicContact CG-CG 4.16Å; R357-P359 WeakPolarHBondContact O-CD 3.3Å; P359-G361 PolarHBondContact O-N 2.6Å |
| 360 | N | 91.1 | Very high | 87 | Confident | 70 Ų | 70 | 73.7 Ų | 73.7 | 37% | 0.374 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -0.7 | 174.8 | -48.3 | -67.4 | 0 | 0 | 0 | 112.7 | P339 N358 | P339-N360 WeakPolarHBondContact CB-O 3.47Å; N358-N360 PolarHBondContact O-N 3.06Å; N358-N360 WeakPolarHBondContact OD1-CB 3.33Å; N358-N360 PolarHBondContact OD1-N 2.77Å; N358-N360 PolarHBondContact OD1-ND2 3.23Å |
| 361 | G | 90.2 | Very high | 86.7 | Confident | 29 Ų | 29 | 78.8 Ų | 78.8 | 30% | 0.299 | 41% | 0.408 | S | S | . | . | | | trans | 91.8 | -179.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | P339 C340 N358 P359 | P339-G361 WeakPolarHBondContact CA-O 3.32Å; C340-G361 PolarHBondContact N-O 2.8Å; N358-G361 PolarHBondContact O-N 3.12Å; P359-G361 PolarHBondContact O-N 2.6Å |
| 362 | R | 90.5 | Very high | 86.3 | Confident | 60 Ų | 60 | 81.3 Ų | 81.3 | 23% | 0.226 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 124.8 | 175.3 | 179.8 | -178.3 | 170.2 | -84.6 | 0 | 108.9 | C340 C351 C356 E364 | C340-R362 HydrophobicContact CB-CB 4.44Å; C340-R362 HydrophobicContact CB-CG 4.34Å; C340-R362 WeakPolarHBondContact O-CA 3.45Å; C340-R362 WeakPolarHBondContact O-CG 3.4Å; C351-R362 PolarHBondContact O-NE 3.1Å; C356-R362 HydrophobicContact CB-CB 4.17Å; C356-R362 HydrophobicContact CB-CG 4.39Å; R362-E364 IonicContact CZ-OE2 3.19Å; R362-E364 IonicContact NH1-OE2 3.32Å; R362-E364 PolarHBondContact NH1-OE2 2.95Å; R362-E364 IonicContact NH2-OE1 3.24Å; R362-E364 PolarHBondContact NH2-OE1 3.1Å; R362-E364 IonicContact NH2-OE2 2.8Å; R362-E364 PolarHBondContact NH2-OE2 3.22Å |
| 363 | N | 88.6 | Confident | 86 | Confident | 76 Ų | 76 | 82.1 Ų | 82.1 | 41% | 0.406 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 133 | 178.4 | -68.7 | -7.3 | 0 | 0 | 0 | 109 | C340 V342 | C340-N363 PolarHBondContact O-N 2.93Å; V342-N363 PolarHBondContact N-O 2.71Å |
| 364 | E | 87.8 | Confident | 85.7 | Confident | 114 Ų | 114 | 82.7 Ų | 82.7 | 53% | 0.533 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 133.1 | 178.5 | -177.6 | 153.5 | -146.4 | 0 | 0 | 111.5 | V342 R362 S366 | V342-E364 WeakPolarHBondContact O-CA 3.36Å; R362-E364 IonicContact CZ-OE2 3.19Å; R362-E364 IonicContact NH1-OE2 3.32Å; R362-E364 PolarHBondContact NH1-OE2 2.95Å; R362-E364 IonicContact NH2-OE1 3.24Å; R362-E364 PolarHBondContact NH2-OE1 3.1Å; R362-E364 IonicContact NH2-OE2 2.8Å; R362-E364 PolarHBondContact NH2-OE2 3.22Å; E364-S366 PolarHBondContact O-N 2.75Å |
| 365 | F | 84.3 | Confident | 85.5 | Confident | 71 Ų | 71 | 80.4 Ų | 80.4 | 31% | 0.311 | 40% | 0.402 | S | S | . | . | | | trans | -77.5 | 100 | -176.9 | -178.7 | -101.3 | 0 | 0 | 0 | 111.6 | V342 D343 R367 V370 | V342-F365 PolarHBondContact O-N 3.04Å; D343-F365 HydrophobicContact CB-CB 4.22Å; F365-R367 HydrophobicContact CD1-CG 4.05Å; F365-R367 HydrophobicContact CE1-CG 3.84Å; F365-R367 PolarHBondContact O-N 3Å; F365-V370 HydrophobicContact CE2-CG2 3.68Å; F365-V370 HydrophobicContact CZ-CB 4.38Å; F365-V370 HydrophobicContact CZ-CG2 3.7Å |
| 366 | S | 82.5 | Confident | 85.4 | Confident | 36 Ų | 36 | 81.3 Ų | 81.3 | 25% | 0.252 | 40% | 0.396 | S | S | . | . | | | trans | -73.4 | 109.3 | 171.2 | -180 | 0 | 0 | 0 | 0 | 110.9 | E364 E368 Q369 V370 | E364-S366 PolarHBondContact O-N 2.75Å; S366-E368 PolarHBondContact O-N 2.98Å; S366-E368 PolarHBondContact OG-N 3.26Å; S366-Q369 PolarHBondContact O-N 2.83Å; S366-Q369 PolarHBondContact OG-N 3.09Å; S366-Q369 VanDerWaalsContact OG-N 3.12Å; S366-V370 PolarHBondContact O-N 3.23Å |
| 367 | R | 82.1 | Confident | 84.7 | Confident | 154 Ų | 154 | 82 Ų | 82 | 58% | 0.581 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.4 | -28.7 | 170.5 | -73.9 | -175.7 | -72.9 | -164.7 | -4.2 | 111.4 | F365 V370 R371 | F365-R367 HydrophobicContact CD1-CG 4.05Å; F365-R367 HydrophobicContact CE1-CG 3.84Å; F365-R367 PolarHBondContact O-N 3Å; R367-V370 PolarHBondContact O-N 3.49Å; R367-R371 WeakPolarHBondContact O-CB 3.45Å; R367-R371 WeakPolarHBondContact O-CD 3.12Å; R367-R371 WeakPolarHBondContact O-CG 3.48Å; R367-R371 PolarHBondContact O-N 3.44Å |
| 368 | E | 81.3 | Confident | 84.1 | Confident | 97 Ų | 97 | 75.4 Ų | 75.4 | 45% | 0.453 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -75.4 | -38.8 | -177.4 | -71 | 49 | -110.5 | 0 | 0 | 111.2 | S366 R371 T372 | S366-E368 PolarHBondContact O-N 2.98Å; S366-E368 PolarHBondContact OG-N 3.26Å; E368-R371 PolarHBondContact O-N 3.31Å; E368-R371 IonicContact OE1-CZ 2.46Å; E368-R371 IonicContact OE1-NH1 2.58Å; E368-R371 PolarHBondContact OE1-NH1 3.48Å; E368-T372 WeakPolarHBondContact O-CG2 3.47Å; E368-T372 PolarHBondContact O-N 3.38Å; E368-T372 PolarHBondContact O-OG1 3.48Å |
| 369 | Q | 80.5 | Confident | 83.5 | Confident | 106 Ų | 106 | 77.6 Ų | 77.6 | 50% | 0.495 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 169.3 | -71.2 | 173.3 | -5.2 | 0 | 0 | 111.5 | S366 T372 H373 | S366-Q369 PolarHBondContact O-N 2.83Å; S366-Q369 PolarHBondContact OG-N 3.09Å; S366-Q369 VanDerWaalsContact OG-N 3.12Å; Q369-T372 WeakPolarHBondContact CA-OG1 3.35Å; Q369-T372 PolarHBondContact O-OG1 3.06Å; Q369-T372 VanDerWaalsContact O-OG1 3.06Å; Q369-H373 VanDerWaalsContact O-CB 3.24Å; Q369-H373 WeakPolarHBondContact O-CB 3.18Å; Q369-H373 PolarHBondContact O-N 3.1Å |
| 370 | V | 80.2 | Confident | 82.6 | Confident | 63 Ų | 63 | 75.2 Ų | 75.2 | 38% | 0.382 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70 | -37.1 | 177.3 | 176.5 | 0 | 0 | 0 | 0 | 111.8 | F365 S366 R367 T374 | F365-V370 HydrophobicContact CE2-CG2 3.68Å; F365-V370 HydrophobicContact CZ-CB 4.38Å; F365-V370 HydrophobicContact CZ-CG2 3.7Å; S366-V370 PolarHBondContact O-N 3.23Å; R367-V370 PolarHBondContact O-N 3.49Å; V370-T374 WeakPolarHBondContact O-CB 3.22Å; V370-T374 PolarHBondContact O-N 3.17Å; V370-T374 PolarHBondContact O-OG1 3.45Å |
| 371 | R | 81.8 | Confident | 81.9 | Confident | 146 Ų | 146 | 76 Ų | 76 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.7 | -49.6 | 173.8 | -77.7 | 161.7 | 171.5 | 169 | -7.8 | 111.8 | R367 E368 T374 Q375 | R367-R371 WeakPolarHBondContact O-CB 3.45Å; R367-R371 WeakPolarHBondContact O-CD 3.12Å; R367-R371 WeakPolarHBondContact O-CG 3.48Å; R367-R371 PolarHBondContact O-N 3.44Å; E368-R371 PolarHBondContact O-N 3.31Å; E368-R371 IonicContact OE1-CZ 2.46Å; E368-R371 IonicContact OE1-NH1 2.58Å; E368-R371 PolarHBondContact OE1-NH1 3.48Å; R371-T374 WeakPolarHBondContact O-CB 3.4Å; R371-T374 PolarHBondContact O-N 2.76Å; R371-Q375 WeakPolarHBondContact O-CG 3.23Å; R371-Q375 PolarHBondContact O-N 3.27Å |
| 372 | T | 82 | Confident | 81.3 | Confident | 56 Ų | 56 | 78.4 Ų | 78.4 | 34% | 0.344 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 178 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | E368 Q369 T374 Q375 H376 | E368-T372 WeakPolarHBondContact O-CG2 3.47Å; E368-T372 PolarHBondContact O-N 3.38Å; E368-T372 PolarHBondContact O-OG1 3.48Å; Q369-T372 WeakPolarHBondContact CA-OG1 3.35Å; Q369-T372 PolarHBondContact O-OG1 3.06Å; Q369-T372 VanDerWaalsContact O-OG1 3.06Å; T372-T374 PolarHBondContact O-N 3.29Å; T372-Q375 PolarHBondContact O-N 2.96Å; T372-H376 VanDerWaalsContact O-CG 3.29Å; T372-H376 PolarHBondContact O-N 3.44Å; T372-H376 PolarHBondContact O-ND1 3.25Å |
| 373 | H | 80.1 | Confident | 80.1 | Confident | 63 Ų | 63 | 77.9 Ų | 77.9 | 29% | 0.292 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.5 | -45.8 | 170 | 178.7 | 79.6 | 0 | 0 | 0 | 112.1 | Q369 Q375 H376 V377 C411 | Q369-H373 VanDerWaalsContact O-CB 3.24Å; Q369-H373 WeakPolarHBondContact O-CB 3.18Å; Q369-H373 PolarHBondContact O-N 3.1Å; H373-Q375 VanDerWaalsContact C-N 3.33Å; H373-Q375 PolarHBondContact O-N 3.42Å; H373-H376 PolarHBondContact O-N 2.84Å; H373-V377 WeakPolarHBondContact O-CG2 3.35Å; H373-V377 PolarHBondContact O-N 2.92Å; H373-C411 VanDerWaalsContact CA-SG 3.51Å |
| 374 | T | 79.7 | Confident | 78.7 | Confident | 64 Ų | 64 | 79.6 Ų | 79.6 | 39% | 0.393 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 177 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | V370 R371 T372 V377 L378 | V370-T374 WeakPolarHBondContact O-CB 3.22Å; V370-T374 PolarHBondContact O-N 3.17Å; V370-T374 PolarHBondContact O-OG1 3.45Å; R371-T374 WeakPolarHBondContact O-CB 3.4Å; R371-T374 PolarHBondContact O-N 2.76Å; T372-T374 PolarHBondContact O-N 3.29Å; T374-V377 PolarHBondContact O-N 3.37Å; T374-L378 HydrophobicContact CG2-CD1 4.1Å; T374-L378 HydrophobicContact CG2-CG 4.47Å; T374-L378 WeakPolarHBondContact O-CB 3.4Å; T374-L378 VanDerWaalsContact O-CG 3.3Å; T374-L378 WeakPolarHBondContact O-CG 3.5Å; T374-L378 PolarHBondContact O-N 3.08Å |
| 375 | Q | 81.5 | Confident | 77.2 | Confident | 122 Ų | 122 | 84.1 Ų | 84.1 | 57% | 0.57 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.8 | -45.2 | 174.9 | -72.5 | 167.9 | -41.5 | 0 | 0 | 112 | R371 T372 H373 V377 L378 A379 | R371-Q375 WeakPolarHBondContact O-CG 3.23Å; R371-Q375 PolarHBondContact O-N 3.27Å; T372-Q375 PolarHBondContact O-N 2.96Å; H373-Q375 VanDerWaalsContact C-N 3.33Å; H373-Q375 PolarHBondContact O-N 3.42Å; Q375-V377 PolarHBondContact O-N 3.04Å; Q375-L378 PolarHBondContact O-N 3.27Å; Q375-A379 WeakPolarHBondContact O-CB 3.41Å; Q375-A379 PolarHBondContact O-N 3.47Å |
| 376 | H | 82.6 | Confident | 75.7 | Confident | 56 Ų | 56 | 85 Ų | 85 | 26% | 0.259 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 176.1 | -66 | 157.1 | 0 | 0 | 0 | 112.8 | T372 H373 R380 C411 | T372-H376 VanDerWaalsContact O-CG 3.29Å; T372-H376 PolarHBondContact O-N 3.44Å; T372-H376 PolarHBondContact O-ND1 3.25Å; H373-H376 PolarHBondContact O-N 2.84Å; H376-R380 WeakPolarHBondContact O-CD 3.43Å; H376-R380 VanDerWaalsContact O-CG 3.26Å; H376-R380 WeakPolarHBondContact O-CG 3.46Å; H376-R380 PolarHBondContact O-N 2.9Å; H376-R380 VanDerWaalsContact O-N 3.13Å; H376-C411 PolarHBondContact ND1-SG 2.94Å |
| 377 | V | 76.8 | Confident | 73.9 | Confident | 41 Ų | 41 | 89 Ų | 89 | 25% | 0.248 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 175.2 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | H373 T374 Q375 R380 L381 | H373-V377 WeakPolarHBondContact O-CG2 3.35Å; H373-V377 PolarHBondContact O-N 2.92Å; T374-V377 PolarHBondContact O-N 3.37Å; Q375-V377 PolarHBondContact O-N 3.04Å; V377-R380 PolarHBondContact O-N 3.28Å; V377-L381 HydrophobicContact CG1-CD1 3.93Å; V377-L381 VanDerWaalsContact O-CG 3.3Å; V377-L381 WeakPolarHBondContact O-CG 3.39Å; V377-L381 PolarHBondContact O-N 3.27Å |
| 378 | L | 79.1 | Confident | 71.9 | Confident | 50 Ų | 50 | 89.2 Ų | 89.2 | 26% | 0.262 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 175.7 | -71.5 | 172.4 | 0 | 0 | 0 | 111.9 | E276 L278 T374 Q375 R380 L381 T382 | E276-L378 WeakPolarHBondContact O-CD2 3.43Å; L278-L378 HydrophobicContact CG-CD2 4.46Å; T374-L378 HydrophobicContact CG2-CD1 4.1Å; T374-L378 HydrophobicContact CG2-CG 4.47Å; T374-L378 WeakPolarHBondContact O-CB 3.4Å; T374-L378 VanDerWaalsContact O-CG 3.3Å; T374-L378 WeakPolarHBondContact O-CG 3.5Å; T374-L378 PolarHBondContact O-N 3.08Å; Q375-L378 PolarHBondContact O-N 3.27Å; L378-R380 VanDerWaalsContact C-N 3.34Å; L378-R380 PolarHBondContact O-N 2.92Å; L378-L381 PolarHBondContact O-N 3.47Å; L378-T382 PolarHBondContact O-N 3.32Å; L378-T382 PolarHBondContact O-OG1 2.78Å |
| 379 | A | 78.8 | Confident | 69.8 | Low | 56 Ų | 56 | 89.9 Ų | 89.9 | 46% | 0.463 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.7 | -38.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q375 T382 S383 | Q375-A379 WeakPolarHBondContact O-CB 3.41Å; Q375-A379 PolarHBondContact O-N 3.47Å; A379-T382 PolarHBondContact O-N 3.01Å; A379-T382 PolarHBondContact O-OG1 2.7Å; A379-S383 PolarHBondContact O-N 3.04Å; A379-S383 PolarHBondContact O-OG 3.15Å |
| 380 | R | 73.2 | Confident | 67.9 | Low | 50 Ų | 50 | 90.2 Ų | 90.2 | 19% | 0.189 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -63.6 | -50.9 | 172.1 | -69.4 | 161.8 | 179.3 | -150.3 | -11.3 | 111.1 | H376 V377 L378 T382 S383 D384 L401 S402 C408 | H376-R380 WeakPolarHBondContact O-CD 3.43Å; H376-R380 VanDerWaalsContact O-CG 3.26Å; H376-R380 WeakPolarHBondContact O-CG 3.46Å; H376-R380 PolarHBondContact O-N 2.9Å; H376-R380 VanDerWaalsContact O-N 3.13Å; V377-R380 PolarHBondContact O-N 3.28Å; L378-R380 VanDerWaalsContact C-N 3.34Å; L378-R380 PolarHBondContact O-N 2.92Å; R380-T382 PolarHBondContact O-N 3.21Å; R380-T382 VanDerWaalsContact O-N 3.09Å; R380-S383 WeakPolarHBondContact CA-OG 3.31Å; R380-S383 PolarHBondContact O-N 3.33Å; R380-S383 VanDerWaalsContact O-N 3.08Å; R380-S383 PolarHBondContact O-OG 2.81Å; R380-D384 PolarHBondContact O-N 2.69Å; R380-D384 VanDerWaalsContact O-N 3.11Å; R380-L401 VanDerWaalsContact CZ-O 3.23Å; R380-L401 PolarHBondContact NH1-O 3.36Å; R380-L401 PolarHBondContact NH2-O 2.95Å; R380-S402 PolarHBondContact NH1-OG 3.06Å; R380-C408 VanDerWaalsContact CZ-SG 3.58Å; R380-C408 PolarHBondContact NH2-SG 3.11Å |
| 381 | L | 76.5 | Confident | 66 | Low | 85 Ų | 85 | 97 Ų | 97 | 45% | 0.445 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -18.4 | 179 | -68.5 | 172 | 0 | 0 | 0 | 113.8 | V377 L378 Y385 | V377-L381 HydrophobicContact CG1-CD1 3.93Å; V377-L381 VanDerWaalsContact O-CG 3.3Å; V377-L381 WeakPolarHBondContact O-CG 3.39Å; V377-L381 PolarHBondContact O-N 3.27Å; L378-L381 PolarHBondContact O-N 3.47Å; L381-Y385 WeakPolarHBondContact O-CD2 3.17Å |
| 382 | T | 77.2 | Confident | 63.9 | Low | 81 Ų | 81 | 93.9 Ų | 93.9 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -92.8 | -33.3 | 170.5 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | L378 A379 R380 D384 Y385 | L378-T382 PolarHBondContact O-N 3.32Å; L378-T382 PolarHBondContact O-OG1 2.78Å; A379-T382 PolarHBondContact O-N 3.01Å; A379-T382 PolarHBondContact O-OG1 2.7Å; R380-T382 PolarHBondContact O-N 3.21Å; R380-T382 VanDerWaalsContact O-N 3.09Å; T382-D384 VanDerWaalsContact C-N 3.31Å; T382-D384 PolarHBondContact O-N 2.83Å; T382-Y385 PolarHBondContact O-N 2.92Å |
| 383 | S | 65 | Low | 61.6 | Low | 48 Ų | 48 | 97.5 Ų | 97.5 | 34% | 0.336 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.3 | -33.2 | 175.5 | 57.9 | 0 | 0 | 0 | 0 | 113.2 | A379 R380 Y385 S386 N387 | A379-S383 PolarHBondContact O-N 3.04Å; A379-S383 PolarHBondContact O-OG 3.15Å; R380-S383 WeakPolarHBondContact CA-OG 3.31Å; R380-S383 PolarHBondContact O-N 3.33Å; R380-S383 VanDerWaalsContact O-N 3.08Å; R380-S383 PolarHBondContact O-OG 2.81Å; S383-Y385 PolarHBondContact O-N 3.01Å; S383-Y385 VanDerWaalsContact O-N 3.13Å; S383-S386 PolarHBondContact O-N 2.86Å; S383-S386 PolarHBondContact O-OG 3.23Å; S383-S386 VanDerWaalsContact O-OG 3.07Å; S383-N387 PolarHBondContact O-ND2 2.93Å |
| 384 | D | 59 | Low | 59.6 | Low | 113 Ų | 113 | 102.3 Ų | 102.3 | 60% | 0.604 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -10.8 | -176.6 | -58.2 | -13.1 | 0 | 0 | 0 | 112.7 | R380 T382 | R380-D384 PolarHBondContact O-N 2.69Å; R380-D384 VanDerWaalsContact O-N 3.11Å; T382-D384 VanDerWaalsContact C-N 3.31Å; T382-D384 PolarHBondContact O-N 2.83Å |
| 385 | Y | 56.1 | Low | 57.4 | Low | 208 Ų | 208 | 107.3 Ų | 107.3 | 82% | 0.816 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -7.6 | 176.1 | -79.9 | -95.8 | 0 | 0 | 0 | 114.5 | L381 T382 S383 | L381-Y385 WeakPolarHBondContact O-CD2 3.17Å; T382-Y385 PolarHBondContact O-N 2.92Å; S383-Y385 PolarHBondContact O-N 3.01Å; S383-Y385 VanDerWaalsContact O-N 3.13Å |
| 386 | S | 53.8 | Low | 55.4 | Low | 89 Ų | 89 | 108.7 Ų | 108.7 | 62% | 0.622 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -17.8 | -179.2 | 63.4 | 0 | 0 | 0 | 0 | 114.1 | S383 Q388 | S383-S386 PolarHBondContact O-N 2.86Å; S383-S386 PolarHBondContact O-OG 3.23Å; S383-S386 VanDerWaalsContact O-OG 3.07Å; S386-Q388 PolarHBondContact O-N 3.36Å |
| 387 | N | 43.7 | Very low | 53.5 | Low | 121 Ų | 121 | 108.9 Ų | 108.9 | 65% | 0.647 | 59% | 0.59 | S | S | * | * | | | trans | -78.1 | 102.1 | 178.7 | -75.4 | -65.4 | 0 | 0 | 0 | 112 | S383 | S383-N387 PolarHBondContact O-ND2 2.93Š|
| 388 | Q | 40.1 | Very low | 52.2 | Low | 158 Ų | 158 | 116 Ų | 116 | 74% | 0.738 | 62% | 0.621 | S | S | * | * | | | trans | -47.5 | 149.5 | 152 | -73.9 | -82.8 | -2.2 | 0 | 0 | 110 | S386 V390 | S386-Q388 PolarHBondContact O-N 3.36Å; Q388-V390 PolarHBondContact O-N 2.8Å |
| 389 | P | 38.5 | Very low | 50.8 | Low | 112 Ų | 112 | 117.4 Ų | 117.4 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | | | trans | -70.2 | 86.5 | -176.9 | 28.7 | -35.2 | 0 | 0 | 0 | 112.2 | K391 | P389-K391 PolarHBondContact O-N 3.24Š|
| 390 | V | 40.6 | Very low | 49.4 | Very low | 113 Ų | 113 | 120.8 Ų | 120.8 | 69% | 0.685 | 65% | 0.646 | S | S | * | * | | | trans | -67.7 | 114.7 | 173.6 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | Q388 S392 | Q388-V390 PolarHBondContact O-N 2.8Å; V390-S392 VanDerWaalsContact C-N 3.28Å; V390-S392 PolarHBondContact O-N 2.77Å |
| 391 | K | 40.7 | Very low | 48.5 | Very low | 206 Ų | 206 | 122.6 Ų | 122.6 | 90% | 0.896 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -78.7 | 62.1 | -173 | -63.6 | -179.8 | 179.2 | 176.8 | 0 | 113.4 | P389 | P389-K391 PolarHBondContact O-N 3.24Š|
| 392 | S | 36 | Very low | 47.4 | Very low | 79 Ų | 79 | 121 Ų | 121 | 55% | 0.552 | 65% | 0.654 | S | S | * | * | | | trans | -163 | 98.2 | 170.6 | 54.7 | 0 | 0 | 0 | 0 | 112.4 | V390 L394 | V390-S392 VanDerWaalsContact C-N 3.28Å; V390-S392 PolarHBondContact O-N 2.77Å; S392-L394 PolarHBondContact O-N 2.9Å |
| 393 | P | 34 | Very low | 46.5 | Very low | 133 Ų | 133 | 119.2 Ų | 119.2 | 86% | 0.864 | 64% | 0.644 | S | S | * | * | | | trans | -79.4 | 103.1 | 174 | -4.9 | 22.6 | 0 | 0 | 0 | 110.3 | | |
| 394 | L | 38.8 | Very low | 45.9 | Very low | 164 Ų | 164 | 122.1 Ų | 122.1 | 86% | 0.859 | 66% | 0.661 | S | S | * | * | | | trans | -130.6 | 100.7 | 165.9 | -76.8 | 179.4 | 0 | 0 | 0 | 111.2 | S392 | S392-L394 PolarHBondContact O-N 2.9Š|
| 395 | H | 34.4 | Very low | 45.8 | Very low | 168 Ų | 168 | 124 Ų | 124 | 78% | 0.778 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 59.4 | 67.6 | 144.9 | -155.5 | -80.8 | 0 | 0 | 0 | 118.7 | | |
| 396 | M | 39.4 | Very low | 45.9 | Very low | 151 Ų | 151 | 116.4 Ų | 116.4 | 74% | 0.744 | 66% | 0.656 | S | S | * | * | | | trans | -134 | 121.8 | 142.7 | -79.8 | -74.2 | 99.4 | 0 | 0 | 107.8 | | |
| 397 | S | 41.5 | Very low | 46.4 | Very low | 61 Ų | 61 | 113.7 Ų | 113.7 | 43% | 0.427 | 64% | 0.639 | S | S | . | * | | | trans | -87.8 | 141.1 | -179.6 | 48.2 | 0 | 0 | 0 | 0 | 111 | A399 E400 | S397-A399 PolarHBondContact O-N 3.29Å; S397-E400 PolarHBondContact O-N 3.04Å; S397-E400 VanDerWaalsContact O-N 3.14Å |
| 398 | E | 49.5 | Very low | 47.7 | Very low | 191 Ų | 191 | 108 Ų | 108 | 89% | 0.893 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -59.5 | -19.5 | 179 | -64.4 | 177.3 | 109.7 | 0 | 0 | 113.2 | E400 | E398-E400 VanDerWaalsContact C-N 3.31Å; E398-E400 PolarHBondContact O-N 3.49Å |
| 399 | A | 49.4 | Very low | 49 | Very low | 78 Ų | 78 | 101.6 Ų | 101.6 | 65% | 0.645 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -64.2 | -27.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S397 | S397-A399 PolarHBondContact O-N 3.29Š|
| 400 | E | 50.7 | Low | 50.5 | Low | 128 Ų | 128 | 100.8 Ų | 100.8 | 60% | 0.598 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -76.9 | -26.4 | -176.2 | -70.9 | -65.1 | 116.7 | 0 | 0 | 113.2 | S397 E398 S409 | S397-E400 PolarHBondContact O-N 3.04Å; S397-E400 VanDerWaalsContact O-N 3.14Å; E398-E400 VanDerWaalsContact C-N 3.31Å; E398-E400 PolarHBondContact O-N 3.49Å; E400-S409 PolarHBondContact O-OG 3.02Å |
| 401 | L | 52.7 | Low | 51.9 | Low | 88 Ų | 88 | 96.3 Ų | 96.3 | 46% | 0.461 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -20.7 | -167 | -88 | 66.9 | 0 | 0 | 0 | 114.2 | R380 S409 | R380-L401 VanDerWaalsContact CZ-O 3.23Å; R380-L401 PolarHBondContact NH1-O 3.36Å; R380-L401 PolarHBondContact NH2-O 2.95Å; L401-S409 PolarHBondContact O-N 3.29Å; L401-S409 PolarHBondContact O-OG 3.38Å |
| 402 | S | 54.9 | Low | 53.2 | Low | 50 Ų | 50 | 89.6 Ų | 89.6 | 35% | 0.35 | 52% | 0.517 | S | S | . | . | B | Isolated β-bridge | trans | -149.1 | 136.2 | 172.7 | -47 | 0 | 0 | 0 | 0 | 110.8 | R380 | R380-S402 PolarHBondContact NH1-OG 3.06Å |
| 403 | T | 58.1 | Low | 54.6 | Low | 45 Ų | 45 | 89.6 Ų | 89.6 | 28% | 0.276 | 51% | 0.511 | S | S | . | . | | | trans | -60.8 | 155.8 | 167.3 | 52.8 | 0 | 0 | 0 | 0 | 111 | N405 G406 A407 L412 | T403-N405 PolarHBondContact O-N 3.48Å; T403-G406 PolarHBondContact O-N 3.36Å; T403-A407 PolarHBondContact N-O 2.84Å; T403-A407 WeakPolarHBondContact OG1-CB 3.15Å; T403-A407 PolarHBondContact OG1-N 3.22Å; T403-A407 PolarHBondContact OG1-O 3.47Å; T403-L412 HydrophobicContact CG2-CD2 3.8Å |
| 404 | P | 52.6 | Low | 55.8 | Low | 109 Ų | 109 | 87.2 Ų | 87.2 | 71% | 0.708 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -11.2 | 176.8 | 23.6 | -35.1 | 0 | 0 | 0 | 114.5 | G406 | P404-G406 VanDerWaalsContact C-N 3.32Š|
| 405 | N | 55.3 | Low | 56.7 | Low | 153 Ų | 153 | 82 Ų | 82 | 82% | 0.818 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 2.9 | 173.2 | -63.4 | -14.5 | 0 | 0 | 0 | 113.2 | T403 A407 | T403-N405 PolarHBondContact O-N 3.48Å; N405-A407 VanDerWaalsContact C-N 3.32Å; N405-A407 PolarHBondContact O-N 3.2Å |
| 406 | G | 59.4 | Low | 57.7 | Low | 47 Ų | 47 | 80 Ų | 80 | 49% | 0.485 | 46% | 0.463 | S | S | . | . | S | Bend | trans | 80.7 | 2.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | T403 P404 C408 | T403-G406 PolarHBondContact O-N 3.36Å; P404-G406 VanDerWaalsContact C-N 3.32Å; G406-C408 PolarHBondContact O-N 3.38Å |
| 407 | A | 64.3 | Low | 58.2 | Low | 33 Ų | 33 | 77.4 Ų | 77.4 | 27% | 0.273 | 46% | 0.456 | S | S | . | . | | | trans | -77.8 | 123.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T403 N405 L412 | T403-A407 PolarHBondContact N-O 2.84Å; T403-A407 WeakPolarHBondContact OG1-CB 3.15Å; T403-A407 PolarHBondContact OG1-N 3.22Å; T403-A407 PolarHBondContact OG1-O 3.47Å; N405-A407 VanDerWaalsContact C-N 3.32Å; N405-A407 PolarHBondContact O-N 3.2Å; A407-L412 HydrophobicContact CB-CD1 3.69Å |
| 408 | C | 71.1 | Confident | 58.5 | Low | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 47% | 0.47 | C | S | . | . | B | Isolated β-bridge | trans | -62 | 125.9 | 176.5 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | R380 G406 L410 C411 L412 | R380-C408 VanDerWaalsContact CZ-SG 3.58Å; R380-C408 PolarHBondContact NH2-SG 3.11Å; G406-C408 PolarHBondContact O-N 3.38Å; C408-L410 VanDerWaalsContact C-N 3.29Å; C408-L410 PolarHBondContact O-N 2.98Å; C408-C411 HydrophobicContact CB-CB 4.25Å; C408-C411 WeakPolarHBondContact O-CA 3.42Å; C408-C411 WeakPolarHBondContact O-CB 3.42Å; C408-C411 PolarHBondContact O-N 2.88Å; C408-L412 PolarHBondContact O-N 2.96Å; C408-L412 VanDerWaalsContact O-N 3.07Å |
| 409 | S | 67.5 | Low | 58.2 | Low | 25 Ų | 25 | 76.6 Ų | 76.6 | 18% | 0.175 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -55 | -42.9 | -177.4 | -43.4 | 0 | 0 | 0 | 0 | 112.4 | E400 L401 C411 L412 D413 | E400-S409 PolarHBondContact O-OG 3.02Å; L401-S409 PolarHBondContact O-N 3.29Å; L401-S409 PolarHBondContact O-OG 3.38Å; S409-C411 VanDerWaalsContact C-N 3.26Å; S409-C411 PolarHBondContact O-N 3.36Å; S409-L412 WeakPolarHBondContact O-CA 3.48Å; S409-L412 VanDerWaalsContact O-CB 3.25Å; S409-L412 WeakPolarHBondContact O-CB 3.35Å; S409-L412 PolarHBondContact O-N 3.1Å; S409-D413 PolarHBondContact O-N 3.13Å |
| 410 | L | 68.9 | Low | 57.5 | Low | 95 Ų | 95 | 79.9 Ų | 79.9 | 50% | 0.497 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.4 | -33.3 | 175.9 | -55.6 | 175.5 | 0 | 0 | 0 | 113.4 | C408 C414 | C408-L410 VanDerWaalsContact C-N 3.29Å; C408-L410 PolarHBondContact O-N 2.98Å; L410-C414 PolarHBondContact O-N 2.91Å; L410-C414 PolarHBondContact O-SG 3.39Å |
| 411 | C | 69.8 | Low | 56.5 | Low | 19 Ų | 19 | 78.5 Ų | 78.5 | 13% | 0.128 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -76.8 | -33.4 | 173.7 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | H373 H376 C408 S409 S415 | H373-C411 VanDerWaalsContact CA-SG 3.51Å; H376-C411 PolarHBondContact ND1-SG 2.94Å; C408-C411 HydrophobicContact CB-CB 4.25Å; C408-C411 WeakPolarHBondContact O-CA 3.42Å; C408-C411 WeakPolarHBondContact O-CB 3.42Å; C408-C411 PolarHBondContact O-N 2.88Å; S409-C411 VanDerWaalsContact C-N 3.26Å; S409-C411 PolarHBondContact O-N 3.36Å; C411-S415 WeakPolarHBondContact O-CB 3.41Å; C411-S415 PolarHBondContact O-N 3.5Å; C411-S415 VanDerWaalsContact O-N 3.13Å; C411-S415 PolarHBondContact O-OG 3.25Å |
| 412 | L | 69.3 | Low | 55.6 | Low | 64 Ų | 64 | 80.2 Ų | 80.2 | 34% | 0.335 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 179.3 | -131.2 | 71.4 | 0 | 0 | 0 | 111.1 | T403 A407 C408 S409 S415 K416 | T403-L412 HydrophobicContact CG2-CD2 3.8Å; A407-L412 HydrophobicContact CB-CD1 3.69Å; C408-L412 PolarHBondContact O-N 2.96Å; C408-L412 VanDerWaalsContact O-N 3.07Å; S409-L412 WeakPolarHBondContact O-CA 3.48Å; S409-L412 VanDerWaalsContact O-CB 3.25Å; S409-L412 WeakPolarHBondContact O-CB 3.35Å; S409-L412 PolarHBondContact O-N 3.1Å; L412-S415 WeakPolarHBondContact O-CB 3.31Å; L412-S415 PolarHBondContact O-N 3.15Å; L412-K416 WeakPolarHBondContact O-CG 3.48Å; L412-K416 PolarHBondContact O-N 3.23Å |
| 413 | D | 64.1 | Low | 54.5 | Low | 80 Ų | 80 | 84.7 Ų | 84.7 | 43% | 0.428 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -75.4 | -40.2 | -177.9 | -61.7 | -41.3 | 0 | 0 | 0 | 112.3 | S409 S415 K416 T417 | S409-D413 PolarHBondContact O-N 3.13Å; D413-S415 PolarHBondContact O-N 3.16Å; D413-S415 VanDerWaalsContact O-N 3.17Å; D413-K416 PolarHBondContact O-N 3.01Å; D413-K416 IonicContact OD1-NZ 3.01Å; D413-K416 PolarHBondContact OD1-NZ 3.05Å; D413-T417 PolarHBondContact O-N 3.37Å |
| 414 | C | 59.2 | Low | 53.3 | Low | 82 Ų | 82 | 87.3 Ų | 87.3 | 55% | 0.554 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.7 | -21.3 | 168.4 | -70.8 | 0 | 0 | 0 | 0 | 113.4 | L410 T417 V418 | L410-C414 PolarHBondContact O-N 2.91Å; L410-C414 PolarHBondContact O-SG 3.39Å; C414-T417 PolarHBondContact O-OG1 2.98Å; C414-V418 WeakPolarHBondContact O-CG2 3.43Å |
| 415 | S | 59.7 | Low | 52.4 | Low | 55 Ų | 55 | 87.9 Ų | 87.9 | 39% | 0.385 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -81.6 | -21.7 | 174.8 | -58.7 | 0 | 0 | 0 | 0 | 112.8 | C411 L412 D413 | C411-S415 WeakPolarHBondContact O-CB 3.41Å; C411-S415 PolarHBondContact O-N 3.5Å; C411-S415 VanDerWaalsContact O-N 3.13Å; C411-S415 PolarHBondContact O-OG 3.25Å; L412-S415 WeakPolarHBondContact O-CB 3.31Å; L412-S415 PolarHBondContact O-N 3.15Å; D413-S415 PolarHBondContact O-N 3.16Å; D413-S415 VanDerWaalsContact O-N 3.17Å |
| 416 | K | 55.1 | Low | 51.3 | Low | 126 Ų | 126 | 87.5 Ų | 87.5 | 55% | 0.548 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -83.5 | -24.6 | 178.5 | -63.8 | 165.7 | -165.2 | 164.8 | 0 | 113.1 | L412 D413 T419 | L412-K416 WeakPolarHBondContact O-CG 3.48Å; L412-K416 PolarHBondContact O-N 3.23Å; D413-K416 PolarHBondContact O-N 3.01Å; D413-K416 IonicContact OD1-NZ 3.01Å; D413-K416 PolarHBondContact OD1-NZ 3.05Å; K416-T419 PolarHBondContact O-OG1 2.95Å |
| 417 | T | 48.6 | Very low | 49.9 | Very low | 97 Ų | 97 | 94.4 Ų | 94.4 | 60% | 0.595 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -87.1 | -13.5 | -174.6 | 51.3 | 0 | 0 | 0 | 0 | 114.5 | D413 C414 | D413-T417 PolarHBondContact O-N 3.37Å; C414-T417 PolarHBondContact O-OG1 2.98Å |
| 418 | V | 49.2 | Very low | 48.5 | Very low | 120 Ų | 120 | 100.2 Ų | 100.2 | 73% | 0.727 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -10 | -175.7 | 175 | 0 | 0 | 0 | 0 | 113.4 | C414 M420 | C414-V418 WeakPolarHBondContact O-CG2 3.43Å; V418-M420 PolarHBondContact O-N 3.49Å |
| 419 | T | 41.6 | Very low | 46.8 | Very low | 114 Ų | 114 | 105.2 Ų | 105.2 | 70% | 0.699 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 14.2 | 178.1 | 46.9 | 0 | 0 | 0 | 0 | 114.5 | K416 | K416-T419 PolarHBondContact O-OG1 2.95Š|
| 420 | M | 36.3 | Very low | 45 | Very low | 148 Ų | 148 | 108.9 Ų | 108.9 | 73% | 0.729 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -94 | 145.6 | 179.6 | -69 | -68.9 | 96.3 | 0 | 0 | 113.1 | V418 | V418-M420 PolarHBondContact O-N 3.49Š|
| 421 | S | 29.2 | Very low | 43.3 | Very low | 98 Ų | 98 | 108.5 Ų | 108.5 | 69% | 0.685 | 63% | 0.626 | S | S | * | * | | | trans | -58 | 137.3 | -165.2 | -165.9 | 0 | 0 | 0 | 0 | 114.3 | N423 | S421-N423 PolarHBondContact O-N 3.37Š|
| 422 | P | 32.5 | Very low | 41.7 | Very low | 124 Ų | 124 | 118.1 Ų | 118.1 | 81% | 0.805 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -79.2 | 57.6 | -175.4 | 34.9 | -38.2 | 0 | 0 | 0 | 112.8 | | |
| 423 | N | 32.2 | Very low | 40.1 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 77% | 0.77 | 68% | 0.682 | S | S | * | * | | | trans | -153.8 | 49.6 | -179.1 | -95.3 | -43.6 | 0 | 0 | 0 | 113.5 | S421 | S421-N423 PolarHBondContact O-N 3.37Š|
| 424 | S | 33.9 | Very low | 39.1 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | | | trans | -165.1 | 116.7 | 162.9 | -84.9 | 0 | 0 | 0 | 0 | 112.7 | M426 | S424-M426 PolarHBondContact O-N 3.32Š|
| 425 | P | 33.4 | Very low | 37.8 | Very low | 122 Ų | 122 | 124 Ų | 124 | 79% | 0.792 | 67% | 0.674 | S | S | * | * | | | trans | -80.4 | 80.7 | 171.4 | 33 | -33.2 | 0 | 0 | 0 | 110.6 | F427 | P425-F427 PolarHBondContact O-N 2.93Š|
| 426 | M | 31.7 | Very low | 36.8 | Very low | 144 Ų | 144 | 126.8 Ų | 126.8 | 71% | 0.709 | 68% | 0.684 | S | S | * | * | | | trans | -70.4 | 99.3 | 172.6 | -80.3 | -114.4 | 64.1 | 0 | 0 | 110.9 | S424 L428 | S424-M426 PolarHBondContact O-N 3.32Å; M426-L428 PolarHBondContact O-N 2.96Å |
| 427 | F | 30.9 | Very low | 36.1 | Very low | 192 Ų | 192 | 125.5 Ų | 125.5 | 84% | 0.842 | 69% | 0.686 | S | S | * | * | | | trans | -63.3 | 100.2 | 160.1 | -80.2 | -99.8 | 0 | 0 | 0 | 109 | P425 | P425-F427 PolarHBondContact O-N 2.93Š|
| 428 | L | 35.2 | Very low | 35.7 | Very low | 156 Ų | 156 | 127.3 Ų | 127.3 | 82% | 0.817 | 69% | 0.688 | S | S | * | * | | | trans | -100.6 | 111.5 | 167.1 | -88.8 | 168.1 | 0 | 0 | 0 | 109.6 | M426 | M426-L428 PolarHBondContact O-N 2.96Š|
| 429 | S | 34.7 | Very low | 35.2 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | | | trans | -70.2 | 136.8 | -170.6 | -50.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 430 | S | 29.5 | Very low | 35 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 71% | 0.713 | 69% | 0.685 | S | S | * | * | | | trans | 45.6 | 128.9 | 135.5 | -56.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 431 | N | 32.5 | Very low | 35.1 | Very low | 87 Ų | 87 | 128.6 Ų | 128.6 | 47% | 0.465 | 69% | 0.685 | S | S | . | * | | | trans | 67.2 | 102.6 | 137.2 | -57.9 | 19.6 | 0 | 0 | 0 | 118.5 | S434 E435 | N431-S434 PolarHBondContact OD1-OG 2.77Å; N431-E435 PolarHBondContact ND2-OE2 3.18Å |
| 432 | R | 36.7 | Very low | 35.3 | Very low | 221 Ų | 221 | 131.2 Ų | 131.2 | 83% | 0.834 | 69% | 0.69 | S | S | * | * | S | Bend | | -146.8 | -12.3 | 128.9 | -127.9 | -179.9 | -70.2 | -158 | 2.8 | 115.6 | | |
| 433 | Y | 35.7 | Very low | 35.3 | Very low | 202 Ų | 202 | 130.6 Ų | 130.6 | 79% | 0.792 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -122.4 | -4.9 | -178.7 | -71.8 | -81.4 | 0 | 0 | 0 | 115.6 | | |
| 434 | S | 42.6 | Very low | 35.6 | Very low | 52 Ų | 52 | 132 Ų | 132 | 36% | 0.364 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -76.7 | -46.1 | 176.3 | 39 | 0 | 0 | 0 | 0 | 113.1 | N431 V437 Q438 | N431-S434 PolarHBondContact OD1-OG 2.77Å; S434-V437 PolarHBondContact O-N 3.23Å; S434-Q438 PolarHBondContact O-N 3.34Å |
| 435 | E | 33.3 | Very low | 35.5 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 45% | 0.449 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -65 | -43.2 | -173 | -90.1 | 172.3 | 107.2 | 0 | 0 | 113.8 | N431 V437 Q438 Q439 | N431-E435 PolarHBondContact ND2-OE2 3.18Å; E435-V437 PolarHBondContact O-N 3.46Å; E435-Q438 PolarHBondContact O-N 2.05Å; E435-Q438 VanDerWaalsContact O-N 3.07Å; E435-Q439 WeakPolarHBondContact O-CG 3.21Å; E435-Q439 PolarHBondContact O-N 3.27Å |
| 436 | L | 37.9 | Very low | 35.6 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 60% | 0.597 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -66.8 | -19.2 | -176.8 | -65.6 | 175.9 | 0 | 0 | 0 | 113.6 | | |
| 437 | V | 40.9 | Very low | 35.8 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 60% | 0.6 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -89.3 | -24.5 | 175.3 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | S434 E435 N441 | S434-V437 PolarHBondContact O-N 3.23Å; E435-V437 PolarHBondContact O-N 3.46Å; V437-N441 PolarHBondContact O-ND2 3.45Å; V437-N441 VanDerWaalsContact O-ND2 3.11Å |
| 438 | Q | 39.6 | Very low | 35.9 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 63% | 0.631 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -84.5 | -29.8 | 177.5 | -71.8 | 175.2 | -32.7 | 0 | 0 | 112.3 | S434 E435 L440 N441 | S434-Q438 PolarHBondContact O-N 3.34Å; E435-Q438 PolarHBondContact O-N 2.05Å; E435-Q438 VanDerWaalsContact O-N 3.07Å; Q438-L440 PolarHBondContact O-N 3.23Å; Q438-N441 PolarHBondContact O-N 3.38Å |
| 439 | Q | 38 | Very low | 35.8 | Very low | 121 Ų | 121 | 134 Ų | 134 | 57% | 0.565 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -13.5 | 177 | -71.2 | 167.6 | -2.5 | 0 | 0 | 114.3 | E435 | E435-Q439 WeakPolarHBondContact O-CG 3.21Å; E435-Q439 PolarHBondContact O-N 3.27Å |
| 440 | L | 38.4 | Very low | 35.7 | Very low | 154 Ų | 154 | 134 Ų | 134 | 81% | 0.806 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 3.7 | 175.3 | -76.2 | 169.8 | 0 | 0 | 0 | 114.7 | Q438 | Q438-L440 PolarHBondContact O-N 3.23Š|
| 441 | N | 38.1 | Very low | 35.9 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -112.7 | 15.9 | -177.9 | -77.4 | -77.4 | 0 | 0 | 0 | 114.2 | V437 Q438 | V437-N441 PolarHBondContact O-ND2 3.45Å; V437-N441 VanDerWaalsContact O-ND2 3.11Å; Q438-N441 PolarHBondContact O-N 3.38Å |
| 442 | L | 33 | Very low | 36 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 80% | 0.801 | 71% | 0.707 | S | S | * | * | | | trans | -118.5 | 61.3 | -174.2 | -76 | 165.5 | 0 | 0 | 0 | 113.1 | | |
| 443 | S | 33.2 | Very low | 35.9 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | | | trans | -168.2 | 81 | 160.2 | -169.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 444 | L | 37.8 | Very low | 35.8 | Very low | 175 Ų | 175 | 128.3 Ų | 128.3 | 92% | 0.916 | 71% | 0.706 | S | S | * | * | | | trans | -161.8 | 51.7 | 155.7 | -144.6 | 74.4 | 0 | 0 | 0 | 114.3 | | |
| 445 | D | 33.4 | Very low | 35.4 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | | | trans | -67.9 | 134.7 | 168.3 | -71.2 | -62.4 | 0 | 0 | 0 | 111.6 | | |
| 446 | N | 34.9 | Very low | 35.4 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | | | | 172.1 | 128.6 | 109 | -93.2 | -74.3 | 0 | 0 | 0 | 113.6 | | |
| 447 | Q | 36 | Very low | 35.4 | Very low | 145 Ų | 145 | 134 Ų | 134 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | | | trans | 54 | 118.6 | 139.4 | -57.4 | 174.3 | 47.5 | 0 | 0 | 120.6 | | |
| 448 | F | 32.6 | Very low | 34.9 | Very low | 191 Ų | 191 | 137 Ų | 137 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | | | | -165.7 | 153.7 | 98.3 | -104.9 | -74.7 | 0 | 0 | 0 | 111.3 | | |
| 449 | L | 32.3 | Very low | 34.5 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | | | trans | -80.8 | 170.6 | -177 | -62.3 | 61.2 | 0 | 0 | 0 | 110.5 | | |
| 450 | S | 33.2 | Very low | 34.4 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | cis | -142.7 | -167.7 | 14.5 | -59.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 451 | T | 32.9 | Very low | 34 | Very low | 131 Ų | 131 | 137 Ų | 137 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | cis | -159.9 | 150.1 | 10.8 | -27.1 | 0 | 0 | 0 | 0 | 109 | | |
| 452 | P | 34.7 | Very low | 34 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | -104.4 | 166.6 | -179.9 | 39.2 | -34.7 | 0 | 0 | 0 | 114.8 | | |
| 453 | C | 35.6 | Very low | 33.9 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 90% | 0.899 | 76% | 0.764 | S | S | * | * | | | trans | -135.4 | 136.6 | 159.5 | -67.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 454 | T | 32.6 | Very low | 33.8 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | | | trans | -119.3 | 163.3 | 169.7 | 49.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 455 | D | 34.8 | Very low | 33.9 | Very low | 138 Ų | 138 | 140 Ų | 140 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | | 171.7 | 116.5 | 117.8 | -80.9 | -0.8 | 0 | 0 | 0 | 109.6 | | |
| 456 | V | 34.3 | Very low | 34 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | | | | 91.8 | 140.8 | 71.7 | -172.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 457 | T | 36.1 | Very low | 33.9 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | | | trans | 83.3 | 158.8 | 171.8 | 74.3 | 0 | 0 | 0 | 0 | 120 | | |
| 458 | H | 31.6 | Very low | 33.6 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 75% | 0.75 | 76% | 0.76 | S | S | * | * | | | | -171.1 | 150 | -58.6 | -139.5 | -80.5 | 0 | 0 | 0 | 109.8 | | |
| 459 | T | 30.5 | Very low | 33.4 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 66% | 0.663 | 75% | 0.75 | S | S | * | * | | | trans | 64.4 | 163 | 167.9 | 72.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 460 | K | 35.8 | Very low | 33.4 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | | | cis | -149 | 163.7 | 5.8 | -140.3 | 147.9 | -165.8 | 173.5 | 0 | 112 | | |
| 461 | D | 30 | Very low | 33.2 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | | | trans | -83.3 | 153.2 | -172.4 | -31.5 | -97.4 | 0 | 0 | 0 | 112.8 | | |
| 462 | Y | 38.7 | Very low | 33.2 | Very low | 239 Ų | 239 | 136.5 Ų | 136.5 | 94% | 0.937 | 76% | 0.76 | S | S | * | * | | | trans | -155.4 | 137.7 | 153.4 | -84.3 | -63 | 0 | 0 | 0 | 111.3 | | |
| 463 | D | 31.5 | Very low | 33 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | -112.9 | 147.6 | -168 | -90.9 | -65.3 | 0 | 0 | 0 | 114.5 | | |
| 464 | M | 31.2 | Very low | 32.8 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | | | trans | 58.8 | 177.2 | 145.6 | -68 | -65.2 | 106.5 | 0 | 0 | 118.8 | | |
| 465 | P | 38.3 | Very low | 32.7 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | | | cis | -121.5 | 176.9 | -13.9 | 39.5 | -25.7 | 0 | 0 | 0 | 114.2 | | |
| 466 | P | 36.6 | Very low | 32.4 | Very low | 115 Ų | 115 | 142 Ų | 142 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | | | trans | -104 | 131.8 | 172 | 36.2 | -28.9 | 0 | 0 | 0 | 114.4 | | |
| 467 | I | 32.8 | Very low | 32.4 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 82% | 0.821 | 76% | 0.763 | S | S | * | * | | | trans | -156.3 | 153.3 | 175.4 | -52.5 | -180 | 0 | 0 | 0 | 108.4 | | |
| 468 | D | 28.7 | Very low | 32.6 | Very low | 132 Ų | 132 | 143.6 Ų | 143.6 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | cis | -167.7 | 166.5 | -44.7 | -162.7 | 6.7 | 0 | 0 | 0 | 108.7 | | |
| 469 | T | 28.6 | Very low | 32.9 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 63% | 0.632 | 76% | 0.762 | S | S | * | * | | | trans | 28.8 | 122 | 162.3 | 52.9 | 0 | 0 | 0 | 0 | 122 | | |
| 470 | T | 32.6 | Very low | 33.1 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | | 164.7 | 111.4 | 115.9 | 34.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 471 | E | 28.5 | Very low | 33.2 | Very low | 199 Ų | 199 | 137.6 Ų | 137.6 | 93% | 0.93 | 76% | 0.76 | S | S | * | * | | | | 63 | 111 | 78.5 | -69.2 | -141 | 177.7 | 0 | 0 | 115 | | |
| 472 | G | 34.3 | Very low | 33.6 | Very low | 75 Ų | 75 | 139.7 Ų | 139.7 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | -179.7 | 116.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 473 | N | 29.4 | Very low | 33.6 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | | | trans | -64.5 | 172.2 | 166.2 | -83.7 | -30.5 | 0 | 0 | 0 | 109.6 | | |
| 474 | W | 31.3 | Very low | 33.7 | Very low | 245 Ų | 245 | 134 Ų | 134 | 93% | 0.928 | 75% | 0.754 | S | S | * | * | | | | -165 | 166.6 | 62.7 | -84 | 77.7 | 0 | 0 | 0 | 112 | | |
| 475 | S | 30.1 | Very low | 34.1 | Very low | 97 Ų | 97 | 137 Ų | 137 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | trans | -63 | -178.1 | 173.7 | -36.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 476 | D | 30.5 | Very low | 33.8 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 66% | 0.658 | 77% | 0.767 | S | S | * | * | | | cis | -168.8 | -178.8 | 21.4 | -140.2 | -47.8 | 0 | 0 | 0 | 113.7 | | |
| 477 | H | 34 | Very low | 33.8 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | 80.1 | 130.3 | 147.1 | -65.3 | -8.7 | 0 | 0 | 0 | 122.2 | | |
| 478 | S | 39.6 | Very low | 33.7 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | trans | -125.3 | 153.2 | 157.7 | 172.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 479 | P | 38.4 | Very low | 34 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | -139.7 | 151 | 134.3 | 29.6 | -12.9 | 0 | 0 | 0 | 112.6 | | |
| 480 | C | 34.2 | Very low | 34 | Very low | 92 Ų | 92 | 146 Ų | 146 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | | | cis | 101.6 | 113.7 | 24.5 | -172.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 481 | S | 37.5 | Very low | 33.9 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | trans | -178.5 | 143.8 | 142.4 | -82.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 482 | K | 39.1 | Very low | 34 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | cis | 128.2 | 159.3 | 6.8 | -90.2 | 171.1 | -177.6 | 173.8 | 0 | 108.4 | | |
| 483 | P | 38.4 | Very low | 34.2 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 69% | 0.688 | 76% | 0.76 | S | S | * | * | | | cis | -146.1 | 160.5 | -37.2 | 41 | -23.3 | 0 | 0 | 0 | 117.3 | | |
| 484 | L | 33.3 | Very low | 34.4 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | | | trans | 43.4 | 133 | 138.1 | -66.9 | 166.3 | 0 | 0 | 0 | 125.1 | | |
| 485 | K | 38.9 | Very low | 34.4 | Very low | 218 Ų | 218 | 141.1 Ų | 141.1 | 95% | 0.948 | 75% | 0.751 | S | S | * | * | | | | -152.4 | 164 | 125.8 | -113.1 | 170.6 | -175.6 | 176.3 | 0 | 111.7 | | |
| 486 | R | 33.3 | Very low | 34.4 | Very low | 203 Ų | 203 | 141.9 Ų | 141.9 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | trans | -163.8 | 130.2 | -148.6 | -177.1 | -169 | -162.9 | 179.4 | 7.9 | 117.4 | | |
| 487 | S | 35.9 | Very low | 34.7 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | | | trans | -168.3 | 134.4 | 155.8 | 48.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 488 | R | 31.2 | Very low | 34.7 | Very low | 197 Ų | 197 | 138.3 Ų | 138.3 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | | 62.7 | 133.1 | 56.9 | -65.5 | -173.8 | 173.6 | -174.2 | -2.8 | 111.6 | | |
| 489 | L | 35.1 | Very low | 34.4 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | | | cis | -120.8 | -132.7 | 33.6 | -75.7 | 167.7 | 0 | 0 | 0 | 117.3 | | |
| 490 | I | 27.9 | Very low | 34 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | | | | -159.6 | 166.9 | -128.9 | -88 | 164.8 | 0 | 0 | 0 | 112.9 | | |
| 491 | S | 31.8 | Very low | 33.7 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | | | trans | 69.7 | 128.9 | 169.3 | 45.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 492 | N | 31 | Very low | 33.5 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | | | cis | 84.1 | 113.4 | 46.9 | -68.1 | 11.3 | 0 | 0 | 0 | 114.1 | | |
| 493 | H | 37.8 | Very low | 33.1 | Very low | 171 Ų | 171 | 145 Ų | 145 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | | | | 177.8 | 171.4 | 110.8 | -98.7 | -70.7 | 0 | 0 | 0 | 113.8 | | |
| 494 | N | 32.2 | Very low | 32.6 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | trans | -93.9 | -178 | -161.3 | -48.5 | -26.7 | 0 | 0 | 0 | 114.2 | | |
| 495 | N | 33.3 | Very low | 32.6 | Very low | 158 Ų | 158 | 145.9 Ų | 145.9 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | | | trans | 80.4 | 153.9 | 161.9 | -50.8 | -18.2 | 0 | 0 | 0 | 115.8 | | |
| 496 | S | 29.6 | Very low | 32.2 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | | | cis | -171.2 | 167.3 | -28.5 | -169.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 497 | A | 35.8 | Very low | 32.1 | Very low | 71 Ų | 71 | 138 Ų | 138 | 59% | 0.587 | 76% | 0.761 | S | S | * | * | | | trans | 73.9 | 111.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 498 | D | 34.1 | Very low | 31.7 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | | | | 64.9 | 109.5 | 122 | -45.5 | -21.8 | 0 | 0 | 0 | 121.5 | | |
| 499 | N | 33.5 | Very low | 31.5 | Very low | 152 Ų | 152 | 134 Ų | 134 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | | 173 | 108.2 | 112.7 | -89.7 | -74.4 | 0 | 0 | 0 | 107.7 | | |
| 500 | E | 29.4 | Very low | 31.2 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | | | | 79.9 | 135 | 85.7 | -101.9 | -76.6 | 82.4 | 0 | 0 | 114.3 | | |
| 501 | V | 29.3 | Very low | 31.1 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | | | trans | 67.7 | 126.5 | 167.6 | 178.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 502 | L | 32.5 | Very low | 31.1 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | | | cis | -156.1 | 144.3 | 14.4 | -125.5 | 165.2 | 0 | 0 | 0 | 113.6 | | |
| 503 | Q | 31.7 | Very low | 31.2 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | | | trans | 55.2 | 111.6 | 151.8 | -89.2 | 164 | 23.3 | 0 | 0 | 124.6 | | |
| 504 | N | 28 | Very low | 31 | Very low | 153 Ų | 153 | 129.1 Ų | 129.1 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | -40.3 | 144.7 | 158 | -49.3 | -31 | 0 | 0 | 0 | 117 | | |
| 505 | S | 31.7 | Very low | 31.3 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 121.4 | 157 | 54.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 506 | V | 32.2 | Very low | 31.4 | Very low | 122 Ų | 122 | 121.7 Ų | 121.7 | 74% | 0.739 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 124.6 | 179.2 | 177.7 | 0 | 0 | 0 | 0 | 109.8 | S508 | V506-S508 PolarHBondContact O-N 3.39Š|
| 507 | V | 29.9 | Very low | 31.7 | Very low | 135 Ų | 135 | 116.7 Ų | 116.7 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 116 | 173.1 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | S509 | V507-S509 PolarHBondContact O-N 3.1Š|
| 508 | S | 28.4 | Very low | 31.6 | Very low | 103 Ų | 103 | 116.3 Ų | 116.3 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | | | trans | -67.3 | 114.4 | -173.7 | -64.3 | 0 | 0 | 0 | 0 | 113.6 | V506 V510 | V506-S508 PolarHBondContact O-N 3.39Å; S508-V510 PolarHBondContact O-N 2.95Å; S508-V510 VanDerWaalsContact O-N 3.15Å |
| 509 | S | 27.1 | Very low | 31.9 | Very low | 117 Ų | 117 | 111.7 Ų | 111.7 | 82% | 0.818 | 66% | 0.655 | S | S | * | * | | | trans | -61.4 | 110 | 172.5 | -49.6 | 0 | 0 | 0 | 0 | 111.8 | V507 S511 | V507-S509 PolarHBondContact O-N 3.1Å; S509-S511 PolarHBondContact O-N 3.36Å |
| 510 | V | 28.1 | Very low | 32.1 | Very low | 129 Ų | 129 | 107.5 Ų | 107.5 | 78% | 0.782 | 63% | 0.633 | S | S | * | * | | | trans | -72.3 | 94.9 | -177 | -77.6 | 0 | 0 | 0 | 0 | 112.8 | S508 F512 | S508-V510 PolarHBondContact O-N 2.95Å; S508-V510 VanDerWaalsContact O-N 3.15Å; V510-F512 PolarHBondContact O-N 3.31Å |
| 511 | S | 26.6 | Very low | 32.4 | Very low | 113 Ų | 113 | 104 Ų | 104 | 79% | 0.79 | 62% | 0.619 | S | S | * | * | | | trans | -75.9 | 109.4 | 179.5 | 49.8 | 0 | 0 | 0 | 0 | 112.6 | S509 S513 | S509-S511 PolarHBondContact O-N 3.36Å; S511-S513 PolarHBondContact O-N 2.96Å |
| 512 | F | 31.9 | Very low | 32.8 | Very low | 199 Ų | 199 | 103.5 Ų | 103.5 | 87% | 0.873 | 62% | 0.616 | S | S | * | * | | | trans | -69 | 101.3 | 176.8 | -92.7 | -94.8 | 0 | 0 | 0 | 112.1 | V510 G514 | V510-F512 PolarHBondContact O-N 3.31Å; F512-G514 PolarHBondContact O-N 3.35Å |
| 513 | S | 31.7 | Very low | 33 | Very low | 119 Ų | 119 | 104.1 Ų | 104.1 | 83% | 0.832 | 62% | 0.62 | S | S | * | * | | | trans | -73.9 | 63.8 | 177 | 51 | 0 | 0 | 0 | 0 | 113.3 | S511 S515 | S511-S513 PolarHBondContact O-N 2.96Å; S513-S515 PolarHBondContact O-N 2.84Å; S513-S515 VanDerWaalsContact O-N 3.09Å |
| 514 | G | 33.6 | Very low | 33.3 | Very low | 42 Ų | 42 | 101 Ų | 101 | 43% | 0.433 | 62% | 0.617 | S | S | . | * | | | trans | -66.8 | 103.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F512 | F512-G514 PolarHBondContact O-N 3.35Š|
| 515 | S | 38 | Very low | 34 | Very low | 79 Ų | 79 | 99.4 Ų | 99.4 | 55% | 0.552 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 152.4 | 179.2 | -33.4 | 0 | 0 | 0 | 0 | 113.2 | R95 S513 | R95-S515 WeakPolarHBondContact CD-O 3.48Å; R95-S515 VanDerWaalsContact CG-O 3.29Å; R95-S515 WeakPolarHBondContact CG-O 3.33Å; R95-S515 PolarHBondContact NE-O 3.42Å; R95-S515 VanDerWaalsContact NE-O 3.12Å; R95-S515 PolarHBondContact NH1-O 2.91Å; S513-S515 PolarHBondContact O-N 2.84Å; S513-S515 VanDerWaalsContact O-N 3.09Å |
| 516 | P | 36.9 | Very low | 34.3 | Very low | 54 Ų | 54 | 101.7 Ų | 101.7 | 35% | 0.351 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -57 | 156.7 | -176.1 | 15.2 | -28.3 | 0 | 0 | 0 | 115.7 | F93 R95 F117 | F93-P516 WeakPolarHBondContact O-CA 3.46Å; R95-P516 PolarHBondContact NH1-O 3.22Å; F117-P516 HydrophobicContact CE1-CB 3.81Å; F117-P516 HydrophobicContact CE1-CG 4.47Å; F117-P516 HydrophobicContact CZ-CB 3.69Å; F117-P516 HydrophobicContact CZ-CG 3.87Å |
| 517 | L | 34.8 | Very low | 34.5 | Very low | 10 Ų | 10 | 99.5 Ų | 99.5 | 5% | 0.052 | 62% | 0.621 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.2 | 133.6 | 150.6 | -104.7 | 158 | 0 | 0 | 0 | 107.9 | F93 M112 H623 R625 | F93-L517 PolarHBondContact N-O 3.18Å; F93-L517 PolarHBondContact O-N 3.49Å; M112-L517 HydrophobicContact CG-CB 4.15Å; M112-L517 HydrophobicContact CG-CD1 3.69Å; M112-L517 HydrophobicContact SD-CB 4.06Å; M112-L517 HydrophobicContact SD-CD1 4.18Å; L517-H623 WeakPolarHBondContact CD1-ND1 3.3Å; L517-R625 HydrophobicContact CD1-CG 4.36Å; L517-R625 HydrophobicContact CG-CG 4.47Å |
| 518 | M | 34 | Very low | 34.7 | Very low | 63 Ų | 63 | 102.2 Ų | 102.2 | 31% | 0.31 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.1 | 174.1 | -70.9 | -56 | -134.9 | 0 | 0 | 109.4 | V90 Y91 S92 | V90-M518 HydrophobicContact CB-CE 4.11Å; V90-M518 HydrophobicContact CB-SD 4.46Å; V90-M518 HydrophobicContact CG1-CB 3.74Å; V90-M518 HydrophobicContact CG1-CE 3.63Å; V90-M518 HydrophobicContact CG1-CG 3.86Å; V90-M518 HydrophobicContact CG1-SD 3.55Å; V90-M518 VanDerWaalsContact CG1-SD 3.55Å; Y91-M518 WeakPolarHBondContact O-CA 2.96Å; S92-M518 VanDerWaalsContact CA-SD 3.6Å; S92-M518 WeakPolarHBondContact OG-CE 3.19Å; S92-M518 PolarHBondContact OG-SD 2.61Å |
| 519 | I | 40.1 | Very low | 35 | Very low | 45 Ų | 45 | 103.2 Ų | 103.2 | 23% | 0.231 | 63% | 0.629 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.3 | 166.6 | -58.3 | -177.8 | 0 | 0 | 0 | 107.8 | Y91 M112 L521 | Y91-I519 PolarHBondContact N-O 3Å; Y91-I519 PolarHBondContact O-N 2.79Å; M112-I519 HydrophobicContact CE-CD1 3.74Å; M112-I519 HydrophobicContact SD-CD1 3.79Å; M112-I519 HydrophobicContact SD-CG1 4.39Å; I519-L521 HydrophobicContact CG2-CD2 4.12Å; I519-L521 HydrophobicContact CG2-CG 4.01Å |
| 520 | D | 37.1 | Very low | 35.5 | Very low | 65 Ų | 65 | 104.5 Ų | 104.5 | 35% | 0.348 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 114.3 | 169.1 | -69.5 | -39.8 | 0 | 0 | 0 | 107.8 | V88 V90 H127 | V88-D520 HydrophobicContact CG1-CB 4.2Å; V88-D520 WeakPolarHBondContact CG1-OD1 3.44Å; V90-D520 WeakPolarHBondContact CG1-OD1 3.36Å; V90-D520 WeakPolarHBondContact CG2-OD1 3.23Å; H127-D520 IonicContact CE1-OD1 2.71Å; H127-D520 PolarHBondContact CE1-OD1 3.34Å; H127-D520 IonicContact CE1-OD2 3.76Å; H127-D520 PolarHBondContact CE1-OD2 2.8Å; H127-D520 VanDerWaalsContact NE2-CG 3.27Å; H127-D520 IonicContact NE2-OD1 3.16Å; H127-D520 IonicContact NE2-OD2 2.75Å; H127-D520 PolarHBondContact NE2-OD2 3.03Å |
| 521 | L | 37.7 | Very low | 35.9 | Very low | 90 Ų | 90 | 105 Ų | 105 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.6 | 116.1 | 171.4 | -70.5 | 175.7 | 0 | 0 | 0 | 109.4 | I519 L523 | I519-L521 HydrophobicContact CG2-CD2 4.12Å; I519-L521 HydrophobicContact CG2-CG 4.01Å; L521-L523 PolarHBondContact O-N 2.97Å |
| 522 | T | 36.8 | Very low | 36.3 | Very low | 102 Ų | 102 | 106.2 Ų | 106.2 | 63% | 0.626 | 62% | 0.622 | S | S | * | * | | | trans | -88.4 | 98.5 | 174.2 | 51.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 523 | L | 35.6 | Very low | 36.4 | Very low | 149 Ų | 149 | 102 Ų | 102 | 78% | 0.78 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 142.7 | 169.9 | -71.6 | 162.7 | 0 | 0 | 0 | 110.3 | L521 | L521-L523 PolarHBondContact O-N 2.97Š|
| 524 | S | 38.2 | Very low | 36.6 | Very low | 111 Ų | 111 | 102.3 Ų | 102.3 | 78% | 0.776 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 154.2 | 168.8 | -75.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 525 | P | 43.4 | Very low | 36.9 | Very low | 120 Ų | 120 | 110.2 Ų | 110.2 | 78% | 0.779 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 143 | -168.6 | 29.5 | -36.1 | 0 | 0 | 0 | 113.9 | | |
| 526 | D | 38.5 | Very low | 37 | Very low | 168 Ų | 168 | 111.7 Ų | 111.7 | 90% | 0.898 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 136.3 | 166.9 | -70.3 | -69.9 | 0 | 0 | 0 | 112 | | |
| 527 | G | 36.2 | Very low | 37 | Very low | 77 Ų | 77 | 115.5 Ų | 115.5 | 79% | 0.794 | 67% | 0.671 | S | S | * | * | | | trans | -127.6 | 58.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 528 | K | 34.6 | Very low | 37.4 | Very low | 191 Ų | 191 | 120.9 Ų | 120.9 | 83% | 0.83 | 71% | 0.707 | S | S | * | * | | | trans | -119.1 | 95.1 | 171.9 | -74.1 | -172.6 | 177.8 | -180 | 0 | 111 | | |
| 529 | S | 34.7 | Very low | 37.6 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | | | trans | -80.5 | 121.4 | 159.3 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 530 | L | 36.5 | Very low | 37.4 | Very low | 143 Ų | 143 | 133.6 Ų | 133.6 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | | | trans | -142.7 | 101.5 | 173.7 | -108.7 | 168.5 | 0 | 0 | 0 | 108.6 | | |
| 531 | N | 37.3 | Very low | 37.4 | Very low | 140 Ų | 140 | 138 Ų | 138 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | -159.4 | 95.1 | 159.7 | -100.7 | -37.4 | 0 | 0 | 0 | 109.9 | | |
| 532 | N | 34.8 | Very low | 37.2 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | | | trans | 52.5 | 102.2 | 136.4 | -44.4 | -26.3 | 0 | 0 | 0 | 118.4 | | |
| 533 | S | 34.7 | Very low | 37.2 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | | 167.8 | 134.4 | 89.2 | -165.9 | 0 | 0 | 0 | 0 | 111 | | |
| 534 | P | 35.6 | Very low | 37.3 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | | | trans | -77.2 | 144.8 | 177.5 | 32.3 | -34.3 | 0 | 0 | 0 | 111.8 | | |
| 535 | K | 39 | Very low | 37.3 | Very low | 209 Ų | 209 | 142.3 Ų | 142.3 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | trans | -135.5 | 132 | 161.9 | -132.2 | 173.3 | -173.6 | 177.9 | 0 | 109.8 | | |
| 536 | S | 39.6 | Very low | 37.1 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 157.3 | -172.3 | 41.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 537 | T | 38.8 | Very low | 37.1 | Very low | 134 Ų | 134 | 142 Ų | 142 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 129.4 | 171.9 | 44.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 538 | P | 43.2 | Very low | 37.3 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 144.7 | 152.7 | 33.8 | -30.6 | 0 | 0 | 0 | 109.7 | | |
| 539 | D | 38.1 | Very low | 37.5 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 173.2 | -179.6 | -142.5 | -40.8 | 0 | 0 | 0 | 112.6 | | |
| 540 | R | 34.9 | Very low | 37.8 | Very low | 220 Ų | 220 | 142.3 Ų | 142.3 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 136.6 | 177.4 | -79.9 | 170.6 | 147.8 | 176.9 | -6.6 | 112.7 | | |
| 541 | N | 36.7 | Very low | 37.8 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | trans | 146.9 | 147.3 | 141.4 | -79.9 | -39.4 | 0 | 0 | 0 | 109.8 | | |
| 542 | R | 33.5 | Very low | 37.7 | Very low | 213 Ų | 213 | 140 Ų | 140 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | cis | -170.2 | 147.5 | -18 | 179.8 | -165 | -179.6 | -152.6 | 1.4 | 105.4 | | |
| 543 | S | 36.4 | Very low | 38 | Very low | 88 Ų | 88 | 141.8 Ų | 141.8 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | | | trans | 64 | 151.4 | 165.6 | 31.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 544 | T | 38.3 | Very low | 38 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | cis | -167.1 | 154.3 | -7.9 | 16 | 0 | 0 | 0 | 0 | 107.2 | | |
| 545 | N | 38.5 | Very low | 38.1 | Very low | 127 Ų | 127 | 146.5 Ų | 146.5 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | | | trans | 63.3 | 152 | 151.7 | -68.1 | 45 | 0 | 0 | 0 | 115.3 | | |
| 546 | D | 39.7 | Very low | 38 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | cis | 178.5 | 166.6 | 1.4 | -93.3 | -11 | 0 | 0 | 0 | 102.4 | | |
| 547 | E | 37.4 | Very low | 38.1 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | | | cis | -167.1 | 170.8 | -4.7 | 156.6 | 170.3 | 88.7 | 0 | 0 | 107.8 | | |
| 548 | Q | 41.6 | Very low | 37.7 | Very low | 151 Ų | 151 | 150 Ų | 150 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | 66.8 | 83 | 161.9 | -79.8 | 156 | 38.2 | 0 | 0 | 121 | | |
| 549 | T | 37.6 | Very low | 37.2 | Very low | 136 Ų | 136 | 153.3 Ų | 153.3 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | | | | 13.8 | 168.4 | 106.8 | 22.9 | 0 | 0 | 0 | 0 | 122 | | |
| 550 | P | 42.4 | Very low | 37 | Very low | 112 Ų | 112 | 153.1 Ų | 153.1 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -128.5 | -174.1 | -135.5 | 46.6 | -33.2 | 0 | 0 | 0 | 116.2 | | |
| 551 | L | 36.3 | Very low | 37.2 | Very low | 163 Ų | 163 | 147.8 Ų | 147.8 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | trans | -164 | 166.3 | 157.6 | -88.5 | 135.5 | 0 | 0 | 0 | 108.4 | | |
| 552 | S | 34.4 | Very low | 37.2 | Very low | 72 Ų | 72 | 149.9 Ų | 149.9 | 50% | 0.503 | 76% | 0.762 | S | S | . | * | | | cis | -174.6 | 168.3 | -44.7 | 66.3 | 0 | 0 | 0 | 0 | 108 | | |
| 553 | K | 40.5 | Very low | 37.3 | Very low | 177 Ų | 177 | 145.4 Ų | 145.4 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | 72.2 | 115.8 | 165.8 | -57.5 | 153.5 | -167.9 | 171.2 | 0 | 115.1 | | |
| 554 | K | 35.8 | Very low | 37.7 | Very low | 203 Ų | 203 | 147 Ų | 147 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | | | | 78.4 | 108.4 | 71.5 | -77.8 | -177.1 | 176.8 | -177.4 | 0 | 115 | | |
| 555 | S | 37.9 | Very low | 37.5 | Very low | 131 Ų | 131 | 149.5 Ų | 149.5 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | | | trans | -172.7 | 176.1 | 132.6 | 56.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 556 | R | 36.1 | Very low | 37.4 | Very low | 243 Ų | 243 | 148.9 Ų | 148.9 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | | | trans | -119.9 | 165.9 | -171 | -112.2 | -168.8 | 167.2 | -155.3 | -2 | 111.8 | | |
| 557 | P | 41.4 | Very low | 37.2 | Very low | 114 Ų | 114 | 150.9 Ų | 150.9 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | | | trans | -93 | 169.7 | -166.3 | 38.4 | -38.2 | 0 | 0 | 0 | 114.8 | | |
| 558 | M | 29.9 | Very low | 36.8 | Very low | 170 Ų | 170 | 149.2 Ų | 149.2 | 84% | 0.837 | 78% | 0.779 | S | S | * | * | | | trans | -163.8 | 164.4 | 161.7 | -113.8 | -77.1 | -101.6 | 0 | 0 | 113.6 | | |
| 559 | Y | 33.3 | Very low | 36.4 | Very low | 191 Ų | 191 | 146.7 Ų | 146.7 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | | | trans | 88.6 | 139.5 | 159.5 | -118.3 | -93.9 | 0 | 0 | 0 | 122.8 | | |
| 560 | I | 34.9 | Very low | 36.4 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | trans | -144.1 | 133.8 | 177 | -63.1 | 172.6 | 0 | 0 | 0 | 110.1 | | |
| 561 | P | 38.2 | Very low | 36.1 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | | | trans | -123.8 | 161 | 153.6 | 37.5 | -25.9 | 0 | 0 | 0 | 111.7 | | |
| 562 | K | 36.3 | Very low | 36.1 | Very low | 202 Ų | 202 | 144 Ų | 144 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | | | cis | -160.5 | -175.3 | -19.7 | -130.2 | -174.3 | -178.7 | -175.6 | 0 | 108.3 | | |
| 563 | V | 36.3 | Very low | 36.1 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | trans | -137.5 | 158.8 | 171.6 | -158.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 564 | P | 45.6 | Very low | 35.8 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | trans | -128.4 | 155.5 | 142 | 36.9 | -27 | 0 | 0 | 0 | 114 | | |
| 565 | H | 32.9 | Very low | 35.5 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | | | trans | -95.1 | 169.3 | 171.3 | -62.1 | -121.4 | 0 | 0 | 0 | 110.2 | | |
| 566 | T | 36.5 | Very low | 35.2 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | | | | 168.5 | 139.1 | 107.9 | 41 | 0 | 0 | 0 | 0 | 113.2 | | |
| 567 | E | 35.8 | Very low | 34.9 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | 63.7 | 163 | 139.8 | -70.6 | 168.6 | -172.5 | 0 | 0 | 121 | | |
| 568 | C | 28.4 | Very low | 34.4 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | | | cis | -168.1 | 156.9 | -44 | -111.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 569 | A | 34.9 | Very low | 34.4 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | 62.9 | 162.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 570 | S | 36.5 | Very low | 34.6 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | | | cis | -169.4 | 161.7 | -29.4 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 571 | L | 37.1 | Very low | 34.6 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | | | trans | 79.1 | 136.6 | 154.9 | -68.2 | 161.7 | 0 | 0 | 0 | 121.1 | | |
| 572 | D | 36.4 | Very low | 34.4 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | | | trans | 69.7 | 94.3 | 141.4 | -57.3 | -25.7 | 0 | 0 | 0 | 124.5 | | |
| 573 | N | 32.6 | Very low | 34.1 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | | 41 | 113.2 | 106.2 | -55.9 | -47.7 | 0 | 0 | 0 | 119.3 | | |
| 574 | N | 35.3 | Very low | 34.1 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | | | | -172.7 | 153.4 | 111 | -95.5 | -32.7 | 0 | 0 | 0 | 113.1 | | |
| 575 | C | 29.3 | Very low | 33.5 | Very low | 121 Ų | 121 | 134 Ų | 134 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -90.3 | 158.7 | 174.2 | -64.6 | 0 | 0 | 0 | 0 | 112 | | |
| 576 | I | 31.2 | Very low | 33.4 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | | | trans | -153.7 | 162.5 | 148.9 | -101.1 | 146.1 | 0 | 0 | 0 | 108.2 | | |
| 577 | T | 29.8 | Very low | 33.5 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | trans | -107.7 | 164.7 | -148.4 | 46.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 578 | I | 30.6 | Very low | 33.1 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | | | trans | -29 | 137 | 166.6 | -61.5 | 157.4 | 0 | 0 | 0 | 115.6 | | |
| 579 | S | 31 | Very low | 33.3 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | | | trans | -159.8 | 160.2 | 134.9 | -121.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 580 | D | 36.8 | Very low | 33.1 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | trans | 78.5 | 111.5 | 155.7 | -56.1 | -27 | 0 | 0 | 0 | 123.6 | | |
| 581 | I | 34.8 | Very low | 32.8 | Very low | 151 Ų | 151 | 144 Ų | 144 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | | | | 77.3 | 132.2 | 128.7 | -65.1 | 171.1 | 0 | 0 | 0 | 119.6 | | |
| 582 | P | 34.8 | Very low | 32.4 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | | | cis | -133.7 | 175.5 | -24.4 | 36.6 | -17.6 | 0 | 0 | 0 | 114.9 | | |
| 583 | E | 30.1 | Very low | 32 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | -79.1 | 159.8 | 167.5 | -72.9 | -172.1 | 102.2 | 0 | 0 | 113.5 | | |
| 584 | A | 35 | Very low | 31.9 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | | | trans | -129.8 | 152.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 585 | P | 33.5 | Very low | 31.6 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -86 | 151.4 | -142.1 | 31 | -37.4 | 0 | 0 | 0 | 116.5 | | |
| 586 | R | 31.6 | Very low | 31.8 | Very low | 223 Ų | 223 | 142.9 Ų | 142.9 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 128.9 | 163.6 | -57.7 | -177.6 | -173.7 | -151.4 | 3.5 | 109.6 | C588 | R586-C588 PolarHBondContact O-N 3.09Š|
| 587 | P | 37.3 | Very low | 31.9 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -80 | 119.9 | 173.6 | 30.4 | -31.8 | 0 | 0 | 0 | 111.1 | | |
| 588 | C | 27.5 | Very low | 31.8 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 75% | 0.75 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 133.2 | 166.7 | -58.1 | 0 | 0 | 0 | 0 | 109.3 | R586 | R586-C588 PolarHBondContact O-N 3.09Š|
| 589 | F | 32.7 | Very low | 31.8 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 91% | 0.912 | 80% | 0.804 | S | S | * | * | | | trans | -145.7 | 137.8 | 157.1 | -85.1 | -66.4 | 0 | 0 | 0 | 111.7 | | |
| 590 | T | 31.2 | Very low | 31.8 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | | | trans | -112.4 | 164.6 | 174.1 | 47.4 | 0 | 0 | 0 | 0 | 110 | | |
| 591 | N | 29.1 | Very low | 31.3 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | | | trans | -46.9 | 135.5 | -177.1 | -55 | -12.9 | 0 | 0 | 0 | 114 | | |
| 592 | G | 29.9 | Very low | 30.9 | Very low | 76 Ų | 76 | 142.3 Ų | 142.3 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | | | trans | -154.4 | 145.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 593 | I | 27.2 | Very low | 30.4 | Very low | 180 Ų | 180 | 141.8 Ų | 141.8 | 92% | 0.923 | 81% | 0.811 | S | S | * | * | | | trans | -104.4 | 121.3 | -175.5 | -59 | 164.1 | 0 | 0 | 0 | 109.3 | | |
| 594 | S | 31.9 | Very low | 30.3 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | | | trans | -163.7 | 147 | 155.7 | 53.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 595 | N | 28.8 | Very low | 29.8 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | | | trans | -79.8 | 164.1 | 157.2 | -52 | -58.7 | 0 | 0 | 0 | 108.3 | | |
| 596 | D | 32.8 | Very low | 29.7 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | | | trans | 158 | 129.9 | 130.3 | -74.5 | -8.5 | 0 | 0 | 0 | 112.2 | | |
| 597 | D | 32.3 | Very low | 29.6 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | | | trans | 44.8 | 96.4 | 143.7 | -63.5 | 2.2 | 0 | 0 | 0 | 122.8 | | |
| 598 | S | 28.2 | Very low | 29.1 | Very low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | | | | 36.9 | 116.5 | 118.9 | 64.1 | 0 | 0 | 0 | 0 | 122 | | |
| 599 | L | 30.7 | Very low | 29.2 | Very low | 173 Ų | 173 | 142.5 Ų | 142.5 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | | | trans | -148.1 | 146.2 | 140 | -75.5 | 179.5 | 0 | 0 | 0 | 108.4 | | |
| 600 | S | 31.2 | Very low | 29.1 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | | | cis | -178.2 | 134.4 | -25.8 | 48.4 | 0 | 0 | 0 | 0 | 106 | | |
| 601 | D | 25.5 | Very low | 29.3 | Very low | 163 Ų | 163 | 139.7 Ų | 139.7 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | | | trans | -64.9 | 149.5 | -174.5 | -64.2 | -78.3 | 0 | 0 | 0 | 114.7 | | |
| 602 | I | 27.4 | Very low | 29.3 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | | | trans | -120.6 | 102.2 | 157.6 | -61.7 | -179.8 | 0 | 0 | 0 | 107.8 | I604 | I602-I604 HydrophobicContact CG2-CG1 4.41Š|
| 603 | S | 23.7 | Very low | 29.4 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -85.7 | 135.8 | 169.3 | 50.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 604 | I | 28.1 | Very low | 29.6 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | trans | -119.3 | 116.1 | 167.1 | -63.4 | -178.4 | 0 | 0 | 0 | 107.7 | I602 I606 | I602-I604 HydrophobicContact CG2-CG1 4.41Å; I604-I606 HydrophobicContact CG2-CG1 4.46Å |
| 605 | I | 24.9 | Very low | 29.7 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | | | trans | -77.5 | 122.8 | 177.1 | -59.1 | 166.4 | 0 | 0 | 0 | 108.4 | | |
| 606 | I | 31.8 | Very low | 29.6 | Very low | 157 Ų | 157 | 149 Ų | 149 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | | | trans | -128.6 | 134 | 157.2 | -60.9 | -176.4 | 0 | 0 | 0 | 107.1 | I604 | I604-I606 HydrophobicContact CG2-CG1 4.46Š|
| 607 | N | 29.9 | Very low | 29.6 | Very low | 144 Ų | 144 | 146.9 Ų | 146.9 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | trans | -70.9 | 158.2 | -162.4 | -68.7 | -24.7 | 0 | 0 | 0 | 114.4 | N609 | N607-N609 PolarHBondContact O-N 3.15Š|
| 608 | N | 26.9 | Very low | 29.5 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | trans | -51.6 | 134.9 | 164 | -55 | -44.4 | 0 | 0 | 0 | 111 | | |
| 609 | N | 29.3 | Very low | 29.6 | Very low | 144 Ų | 144 | 148 Ų | 148 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | | -175.7 | 162.6 | 106.3 | -89.3 | -11.8 | 0 | 0 | 0 | 112.5 | N607 | N607-N609 PolarHBondContact O-N 3.15Š|
| 610 | D | 31 | Very low | 29.6 | Very low | 139 Ų | 139 | 148.9 Ų | 148.9 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | trans | 76.4 | 115.5 | 154.9 | -71.3 | -41.6 | 0 | 0 | 0 | 122.7 | | |
| 611 | I | 33.8 | Very low | 29.6 | Very low | 145 Ų | 145 | 148 Ų | 148 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | | | trans | 86.6 | 94.7 | 143.4 | -57.9 | 160.4 | 0 | 0 | 0 | 117.7 | | |
| 612 | N | 29.5 | Very low | 29.8 | Very low | 154 Ų | 154 | 146.5 Ų | 146.5 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | -57 | 140.5 | 151.1 | -74.2 | -59.7 | 0 | 0 | 0 | 111.8 | | |
| 613 | K | 33.3 | Very low | 30 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | | | trans | -166.6 | 100.4 | 145.3 | -110.7 | 156.1 | -173 | 171.7 | 0 | 113.4 | | |
| 614 | D | 31.2 | Very low | 30.5 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | | | trans | 19.7 | 112.7 | 145.8 | -42.7 | -42.1 | 0 | 0 | 0 | 119.5 | | |
| 615 | F | 32.9 | Very low | 30.9 | Very low | 204 Ų | 204 | 142.4 Ų | 142.4 | 90% | 0.895 | 72% | 0.716 | S | S | * | * | | | trans | -145.3 | 94.9 | 150.6 | -83.2 | -71 | 0 | 0 | 0 | 111.7 | | |
| 616 | Q | 28.3 | Very low | 31.2 | Very low | 200 Ų | 200 | 140.7 Ų | 140.7 | 94% | 0.935 | 70% | 0.7 | S | S | * | * | | | trans | -71 | 138.4 | 161.6 | -68.4 | -175.3 | -4.1 | 0 | 0 | 109.7 | | |
| 617 | S | 31.2 | Very low | 31.4 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | | | trans | -142.6 | 131.8 | 170.3 | 65.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 618 | V | 30.2 | Very low | 31.6 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | | | trans | -89.7 | 114 | -172.3 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 619 | I | 31.2 | Very low | 32 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 70% | 0.703 | 68% | 0.684 | S | S | * | * | | | trans | -88.2 | 125.8 | 177.6 | -57.3 | 177.7 | 0 | 0 | 0 | 110.3 | V621 | I619-V621 HydrophobicContact CG2-CG2 3.95Š|
| 620 | K | 29.7 | Very low | 32.3 | Very low | 190 Ų | 190 | 134 Ų | 134 | 83% | 0.826 | 69% | 0.686 | S | S | * | * | | | trans | -112.3 | 114.1 | 169 | -76.3 | 179.4 | 177.3 | 171.8 | 0 | 110.1 | | |
| 621 | V | 31 | Very low | 32.4 | Very low | 76 Ų | 76 | 134.2 Ų | 134.2 | 46% | 0.461 | 69% | 0.687 | S | S | . | * | | | trans | -95.9 | 131.8 | 179.3 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | I619 | I619-V621 HydrophobicContact CG2-CG2 3.95Š|
| 622 | I | 31.3 | Very low | 32.4 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 68% | 0.682 | 69% | 0.693 | S | S | * | * | | | trans | -126.9 | 111.6 | 171.2 | -59.6 | 179.3 | 0 | 0 | 0 | 108.4 | | |
| 623 | H | 31.6 | Very low | 32.8 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 40% | 0.398 | 69% | 0.694 | S | S | . | * | | | trans | -85.2 | 139.5 | 179.5 | -76.3 | -50.6 | 0 | 0 | 0 | 113 | L517 | L517-H623 WeakPolarHBondContact CD1-ND1 3.3Š|
| 624 | R | 32.8 | Very low | 32.9 | Very low | 178 Ų | 178 | 128.9 Ų | 128.9 | 67% | 0.672 | 70% | 0.698 | S | S | * | * | | | trans | -132.4 | 126.9 | 158 | -84.2 | 177.6 | 154.8 | 148.7 | -6.7 | 108.5 | V295 | V295-R624 VanDerWaalsContact CG2-NH2 3.29Š|
| 625 | R | 37.1 | Very low | 32.9 | Very low | 53 Ų | 53 | 127.8 Ų | 127.8 | 20% | 0.2 | 70% | 0.701 | C | S | . | * | | | trans | -121.9 | 148.9 | 169 | -71.1 | -170.3 | 179 | -174.2 | 6.9 | 109 | R95 Q96 L110 G111 L517 | R95-R625 VanDerWaalsContact CG-CZ 3.44Å; Q96-R625 PolarHBondContact O-NH1 3.2Å; L110-R625 VanDerWaalsContact C-NH2 3.34Å; L110-R625 VanDerWaalsContact O-CZ 3.29Å; L110-R625 PolarHBondContact O-NH2 3.31Å; G111-R625 PolarHBondContact O-NH2 3.39Å; L517-R625 HydrophobicContact CD1-CG 4.36Å; L517-R625 HydrophobicContact CG-CG 4.47Å |
| 626 | R | 31.8 | Very low | 33.3 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 42% | 0.415 | 69% | 0.694 | S | S | . | * | | | trans | -119.2 | 139.6 | 166.2 | -133.7 | -179.2 | -167.6 | -150.6 | 9.8 | 106.8 | Q138 | Q138-R626 PolarHBondContact O-NH1 3.15Å; Q138-R626 PolarHBondContact O-NH2 2.91Å; Q138-R626 VanDerWaalsContact O-NH2 3.13Å |
| 627 | S | 35.8 | Very low | 33.5 | Very low | 116 Ų | 116 | 119.6 Ų | 119.6 | 81% | 0.811 | 68% | 0.682 | S | S | * | * | | | trans | -110.8 | 152 | 175 | -57.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 628 | R | 33.8 | Very low | 33.6 | Very low | 140 Ų | 140 | 121 Ų | 121 | 53% | 0.528 | 68% | 0.681 | S | S | . | * | | | trans | -140.7 | 140.5 | 162.1 | -95.7 | -175.1 | 152.9 | -113.6 | -8.1 | 107.6 | L141 | L141-R628 PolarHBondContact O-NE 3.38Å; L141-R628 PolarHBondContact O-NH2 2.93Å |
| 629 | S | 35.9 | Very low | 33.9 | Very low | 97 Ų | 97 | 122 Ų | 122 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | | | trans | -71.6 | 160.2 | 170.5 | 46.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 630 | A | 34.4 | Very low | 33.9 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 81% | 0.81 | 68% | 0.682 | S | S | * | * | | | trans | -111.6 | 134.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 631 | D | 34.4 | Very low | 34 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 78% | 0.775 | 69% | 0.686 | S | S | * | * | | | trans | -100.8 | 132.4 | 175.7 | -56.2 | -48.6 | 0 | 0 | 0 | 108.3 | | |
| 632 | T | 33.5 | Very low | 33.9 | Very low | 142 Ų | 142 | 124.4 Ų | 124.4 | 87% | 0.871 | 70% | 0.699 | S | S | * | * | | | trans | -100.1 | 118.8 | 179.4 | 50.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 633 | T | 37.8 | Very low | 33.8 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 85% | 0.847 | 71% | 0.712 | S | S | * | * | | | trans | -105 | 131.1 | 165.9 | 50.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 634 | G | 34.2 | Very low | 33.6 | Very low | 80 Ų | 80 | 131.1 Ų | 131.1 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | | | trans | -68.8 | 161.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 635 | S | 32 | Very low | 33.3 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | | | trans | -86.6 | 137.6 | 174.3 | -172.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 636 | S | 41 | Very low | 33.1 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | trans | -149.3 | 98.2 | 159.8 | 60.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 637 | N | 33.6 | Very low | 33 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | | | trans | 35.5 | 131.2 | 142.2 | -74.5 | 58 | 0 | 0 | 0 | 121.4 | | |
| 638 | D | 32.4 | Very low | 33 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | trans | 55.5 | 109.6 | 137.4 | -41.2 | -31.6 | 0 | 0 | 0 | 116.4 | | |
| 639 | D | 36.8 | Very low | 32.9 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | | | | -165.3 | 177.8 | 74.7 | -129.9 | -38.4 | 0 | 0 | 0 | 114.8 | | |
| 640 | N | 32 | Very low | 32.9 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | -70 | 150 | 179.7 | -76.2 | -83.2 | 0 | 0 | 0 | 114.9 | | |
| 641 | F | 30.7 | Very low | 32.7 | Very low | 209 Ų | 209 | 143.7 Ų | 143.7 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | | | | 173 | 135.9 | 120.8 | -96.9 | -66.7 | 0 | 0 | 0 | 112.3 | | |
| 642 | P | 29.1 | Very low | 33 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | | | trans | -105 | 143.9 | 177.5 | 37.1 | -31.3 | 0 | 0 | 0 | 114.4 | | |
| 643 | M | 28.9 | Very low | 33.2 | Very low | 192 Ų | 192 | 140.9 Ų | 140.9 | 95% | 0.946 | 77% | 0.774 | S | S | * | * | | | trans | -158.3 | 175.9 | 148.2 | -139.3 | -165.8 | -87.1 | 0 | 0 | 112.1 | | |
| 644 | E | 28.5 | Very low | 33.3 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | -103.9 | 155.1 | -149.5 | -61.3 | -172.4 | 108 | 0 | 0 | 117.6 | | |
| 645 | M | 26.2 | Very low | 33.4 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | | | trans | 29.3 | 116.8 | 141.1 | -66.7 | 179.7 | 43.9 | 0 | 0 | 120.8 | | |
| 646 | I | 33.1 | Very low | 33.8 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 88% | 0.877 | 75% | 0.745 | S | S | * | * | | | | -126.6 | 118.3 | 123.6 | -60.2 | -176.9 | 0 | 0 | 0 | 108.8 | | |
| 647 | N | 29.8 | Very low | 33.9 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 66% | 0.658 | 73% | 0.728 | S | S | * | * | | | trans | -84 | 145.1 | 175.9 | -106.3 | -53.2 | 0 | 0 | 0 | 111.2 | | |
| 648 | N | 34.5 | Very low | 34.2 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | | | trans | -162.9 | 122.4 | 143.6 | -106.5 | -42.5 | 0 | 0 | 0 | 115.3 | | |
| 649 | H | 32.6 | Very low | 34.6 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 82% | 0.819 | 72% | 0.72 | S | S | * | * | | | trans | 39 | 112.6 | 157.2 | -81.2 | -89.8 | 0 | 0 | 0 | 121.9 | | |
| 650 | S | 34.6 | Very low | 34.9 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | | | | -169 | 74.6 | 98 | -165.7 | 0 | 0 | 0 | 0 | 113.4 | N652 | S650-N652 PolarHBondContact O-N 2.97Å; S650-N652 VanDerWaalsContact O-N 3.1Å |
| 651 | K | 30.7 | Very low | 35.2 | Very low | 198 Ų | 198 | 139.2 Ų | 139.2 | 86% | 0.861 | 70% | 0.704 | S | S | * | * | | | trans | -76 | 89.7 | 174.5 | -66.2 | -177.4 | 179.3 | -178.4 | 0 | 110.9 | | |
| 652 | N | 40.1 | Very low | 35.8 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 68% | 0.679 | 69% | 0.692 | S | S | * | * | | | trans | -160.1 | 19.2 | 173.9 | -124.7 | -30.2 | 0 | 0 | 0 | 117.3 | S650 | S650-N652 PolarHBondContact O-N 2.97Å; S650-N652 VanDerWaalsContact O-N 3.1Å |
| 653 | V | 39.1 | Very low | 36.1 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 61% | 0.612 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -125.3 | -38.6 | -178.9 | -176.7 | 0 | 0 | 0 | 0 | 113.2 | I656 L657 | V653-I656 PolarHBondContact O-N 2.89Å; V653-L657 HydrophobicContact CG1-CD1 4.39Å; V653-L657 PolarHBondContact O-N 3.2Å |
| 654 | E | 38.4 | Very low | 36.2 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 65% | 0.65 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -70.8 | -41.5 | -175.1 | -70.7 | 157.4 | 133.8 | 0 | 0 | 112.9 | I656 L657 N658 | E654-I656 PolarHBondContact O-N 2.82Å; E654-I656 VanDerWaalsContact O-N 3.12Å; E654-L657 PolarHBondContact O-N 3.33Å; E654-N658 PolarHBondContact O-N 2.93Å |
| 655 | N | 37.9 | Very low | 36.4 | Very low | 133 Ų | 133 | 131 Ų | 131 | 71% | 0.711 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -58.6 | -29.5 | 177.9 | -66.9 | 23.2 | 0 | 0 | 0 | 113 | H659 | N655-H659 WeakPolarHBondContact O-CB 3.24Å; N655-H659 PolarHBondContact O-N 3.01Å |
| 656 | I | 40.1 | Very low | 36.7 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 53% | 0.533 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -79 | -29.5 | 177.8 | -61.5 | 175 | 0 | 0 | 0 | 111.3 | V653 E654 I660 | V653-I656 PolarHBondContact O-N 2.89Å; E654-I656 PolarHBondContact O-N 2.82Å; E654-I656 VanDerWaalsContact O-N 3.12Å; I656-I660 HydrophobicContact CG2-CD1 4.19Å; I656-I660 WeakPolarHBondContact O-CD1 3.39Å; I656-I660 VanDerWaalsContact O-CG1 3.29Å; I656-I660 WeakPolarHBondContact O-CG1 3.41Å |
| 657 | L | 43 | Very low | 36.5 | Very low | 76 Ų | 76 | 126 Ų | 126 | 40% | 0.398 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -73.1 | -47.9 | 174.9 | -75.9 | 163.4 | 0 | 0 | 0 | 110.9 | V653 E654 H659 I660 F661 | V653-L657 HydrophobicContact CG1-CD1 4.39Å; V653-L657 PolarHBondContact O-N 3.2Å; E654-L657 PolarHBondContact O-N 3.33Å; L657-H659 VanDerWaalsContact C-N 3.32Å; L657-H659 PolarHBondContact O-N 3.31Å; L657-I660 PolarHBondContact O-N 2.78Å; L657-F661 HydrophobicContact CD2-CE2 4.32Å; L657-F661 VanDerWaalsContact O-CD2 3.31Å; L657-F661 WeakPolarHBondContact O-CD2 3.17Å; L657-F661 PolarHBondContact O-N 3.14Å |
| 658 | N | 40 | Very low | 36.6 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 55% | 0.551 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -58.9 | -44.4 | 179.6 | -66.4 | -2.5 | 0 | 0 | 0 | 111.2 | E654 I660 F661 S662 | E654-N658 PolarHBondContact O-N 2.93Å; N658-I660 PolarHBondContact O-N 2.89Å; N658-F661 PolarHBondContact O-N 3.12Å; N658-S662 PolarHBondContact O-N 3.01Å; N658-S662 PolarHBondContact O-OG 3.1Å |
| 659 | H | 41.3 | Very low | 36.2 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 68% | 0.676 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -68.1 | -7.7 | 179.3 | -141.9 | -45.2 | 0 | 0 | 0 | 114.9 | N655 L657 | N655-H659 WeakPolarHBondContact O-CB 3.24Å; N655-H659 PolarHBondContact O-N 3.01Å; L657-H659 VanDerWaalsContact C-N 3.32Å; L657-H659 PolarHBondContact O-N 3.31Å |
| 660 | I | 41.2 | Very low | 36.3 | Very low | 94 Ų | 94 | 124.1 Ų | 124.1 | 48% | 0.482 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -100.6 | -21.6 | 173.4 | -69.6 | 172.1 | 0 | 0 | 0 | 111.8 | I656 L657 N658 | I656-I660 HydrophobicContact CG2-CD1 4.19Å; I656-I660 WeakPolarHBondContact O-CD1 3.39Å; I656-I660 VanDerWaalsContact O-CG1 3.29Å; I656-I660 WeakPolarHBondContact O-CG1 3.41Å; L657-I660 PolarHBondContact O-N 2.78Å; N658-I660 PolarHBondContact O-N 2.89Å |
| 661 | F | 39.6 | Very low | 36 | Very low | 163 Ų | 163 | 124.1 Ų | 124.1 | 72% | 0.715 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -98.2 | -16.1 | 178.2 | -75.4 | -67.7 | 0 | 0 | 0 | 114.4 | L657 N658 L663 | L657-F661 HydrophobicContact CD2-CE2 4.32Å; L657-F661 VanDerWaalsContact O-CD2 3.31Å; L657-F661 WeakPolarHBondContact O-CD2 3.17Å; L657-F661 PolarHBondContact O-N 3.14Å; N658-F661 PolarHBondContact O-N 3.12Å; F661-L663 PolarHBondContact O-N 3.29Å |
| 662 | S | 42.5 | Very low | 36.1 | Very low | 95 Ų | 95 | 124.1 Ų | 124.1 | 66% | 0.664 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -81.2 | 22.1 | 175.7 | -57.1 | 0 | 0 | 0 | 0 | 114.9 | N658 | N658-S662 PolarHBondContact O-N 3.01Å; N658-S662 PolarHBondContact O-OG 3.1Å |
| 663 | L | 35.7 | Very low | 35.7 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -133 | 51.3 | -176 | -72 | 176.5 | 0 | 0 | 0 | 112.7 | F661 | F661-L663 PolarHBondContact O-N 3.29Š|
| 664 | D | 31.8 | Very low | 35.2 | Very low | 159 Ų | 159 | 124.7 Ų | 124.7 | 85% | 0.85 | 71% | 0.711 | S | S | * | * | | | trans | -156.1 | 61.8 | 164.7 | -99.1 | -34.8 | 0 | 0 | 0 | 110.9 | | |
| 665 | S | 31.5 | Very low | 35 | Very low | 123 Ų | 123 | 123.6 Ų | 123.6 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | | | trans | -136.6 | 65.7 | 172.8 | -68.9 | 0 | 0 | 0 | 0 | 111.2 | G667 | S665-G667 PolarHBondContact O-N 3.13Š|
| 666 | V | 33.8 | Very low | 34.7 | Very low | 130 Ų | 130 | 122 Ų | 122 | 79% | 0.788 | 72% | 0.718 | S | S | * | * | | | trans | -87.7 | 94.6 | 170.3 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 667 | G | 29.2 | Very low | 34.3 | Very low | 73 Ų | 73 | 122.8 Ų | 122.8 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | | | trans | -73.8 | 125.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S665 | S665-G667 PolarHBondContact O-N 3.13Š|
| 668 | C | 31.5 | Very low | 33.8 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | | | trans | -100.6 | 86.5 | 174.6 | -70.6 | 0 | 0 | 0 | 0 | 110.3 | V670 | C668-V670 PolarHBondContact O-N 2.79Š|
| 669 | D | 26.5 | Very low | 33.3 | Very low | 151 Ų | 151 | 127.8 Ų | 127.8 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | | | trans | -66.9 | 118.6 | 166.3 | -97.1 | -51.2 | 0 | 0 | 0 | 110.7 | | |
| 670 | V | 34 | Very low | 32.9 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | | | trans | -135.6 | 93.3 | 159.6 | -175 | 0 | 0 | 0 | 0 | 108.3 | C668 | C668-V670 PolarHBondContact O-N 2.79Š|
| 671 | T | 28.9 | Very low | 32.4 | Very low | 105 Ų | 105 | 128 Ų | 128 | 64% | 0.644 | 76% | 0.762 | S | S | * | * | | | trans | -93 | 160.9 | 171 | 55.3 | 0 | 0 | 0 | 0 | 111 | | |
| 672 | K | 32.9 | Very low | 32.1 | Very low | 198 Ų | 198 | 129.3 Ų | 129.3 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | | | trans | 74.2 | 98.6 | 170.9 | -50.1 | 172.1 | -174.6 | 175.2 | 0 | 116.9 | | |
| 673 | S | 31.9 | Very low | 31.4 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | | | | -157.6 | 151.6 | 106.3 | 38.1 | 0 | 0 | 0 | 0 | 110 | | |
| 674 | S | 27.2 | Very low | 31.3 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | -142.4 | 174 | -176.2 | 56.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 675 | S | 34.2 | Very low | 31.1 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | trans | 94.5 | 145.4 | -172.6 | 80.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 676 | S | 31.5 | Very low | 30.9 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | cis | -172.5 | 179.8 | -18.8 | 48.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 677 | V | 33 | Very low | 30.7 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | 75.9 | 108.5 | 167.3 | -172 | 0 | 0 | 0 | 0 | 113.6 | | |
| 678 | N | 32.7 | Very low | 30.6 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | | | | 68.9 | 145.5 | 67.6 | -65.6 | -34.4 | 0 | 0 | 0 | 113.2 | | |
| 679 | Q | 29.5 | Very low | 30.6 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 73% | 0.729 | 78% | 0.784 | S | S | * | * | | | cis | -164.2 | -167.6 | -12 | -115.4 | 173.7 | 51.5 | 0 | 0 | 107.9 | | |
| 680 | L | 31.5 | Very low | 30.8 | Very low | 162 Ų | 162 | 138 Ų | 138 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | | | trans | 82.3 | 146.2 | 173 | -54.7 | 153.4 | 0 | 0 | 0 | 116.3 | | |
| 681 | S | 30.2 | Very low | 30.6 | Very low | 81 Ų | 81 | 141.1 Ų | 141.1 | 57% | 0.566 | 78% | 0.784 | S | S | * | * | | | | 178.9 | 153.8 | -55.5 | 48.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 682 | Q | 34.3 | Very low | 31 | Very low | 191 Ų | 191 | 141.2 Ų | 141.2 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | | | trans | 77.7 | 130.2 | 159.4 | -67.9 | 161.8 | 22.1 | 0 | 0 | 118.7 | | |
| 683 | V | 26.9 | Very low | 31.2 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | | | trans | -96.9 | 162.9 | 172.8 | -148.6 | 0 | 0 | 0 | 0 | 108 | | |
| 684 | P | 34.8 | Very low | 31.5 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | | | | -147.6 | 170.4 | 94.9 | 37.4 | -20 | 0 | 0 | 0 | 115.9 | | |
| 685 | N | 26.8 | Very low | 31.9 | Very low | 162 Ų | 162 | 137 Ų | 137 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | | | trans | -70.4 | 155.3 | -175.9 | -51.6 | -21.8 | 0 | 0 | 0 | 113.9 | | |
| 686 | G | 27.3 | Very low | 31.8 | Very low | 69 Ų | 69 | 136.5 Ų | 136.5 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | trans | 176.4 | 132.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 687 | F | 30.4 | Very low | 31.8 | Very low | 212 Ų | 212 | 136.1 Ų | 136.1 | 93% | 0.93 | 77% | 0.767 | S | S | * | * | | | trans | 70.1 | 108.6 | 159.6 | -77.6 | -87.3 | 0 | 0 | 0 | 122.2 | | |
| 688 | E | 27.6 | Very low | 31.7 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | -54.8 | -177.4 | 155.8 | -172.2 | 179.5 | -161.4 | 0 | 0 | 114.8 | | |
| 689 | Y | 29.9 | Very low | 31.6 | Very low | 213 Ų | 213 | 137 Ų | 137 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | | | trans | 90.7 | 140.5 | -178.7 | -75.3 | -106.1 | 0 | 0 | 0 | 115.2 | | |
| 690 | A | 31.6 | Very low | 31.5 | Very low | 92 Ų | 92 | 135.3 Ų | 135.3 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | cis | -144.2 | 163.7 | 3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 691 | K | 29.9 | Very low | 31.5 | Very low | 204 Ų | 204 | 136 Ų | 136 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | | | trans | -74.8 | 149.7 | 176.2 | -56.9 | 158.6 | 178.4 | 168 | 0 | 113.4 | | |
| 692 | S | 37.5 | Very low | 31.8 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | -178.5 | 143.6 | 137.3 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 693 | N | 36.9 | Very low | 31.5 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | | | cis | -156.1 | 126.6 | 0.5 | -117.8 | 14.4 | 0 | 0 | 0 | 109.7 | | |
| 694 | T | 38.9 | Very low | 32 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 68% | 0.681 | 81% | 0.806 | S | S | * | * | | | | 68.8 | 138.7 | 104.7 | 61.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 695 | C | 34.3 | Very low | 31.9 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 70% | 0.703 | 81% | 0.806 | S | S | * | * | | | cis | -149.7 | 150.2 | 1.7 | -105.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 696 | S | 32.4 | Very low | 32.3 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | | 70.8 | 144.4 | 62.3 | -42.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 697 | A | 32.5 | Very low | 32.7 | Very low | 91 Ų | 91 | 143.1 Ų | 143.1 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | cis | -138.8 | 152.7 | 5.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 698 | V | 29.4 | Very low | 32.7 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | | | cis | 75 | 106.3 | 42 | -178.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 699 | T | 31.9 | Very low | 32.8 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | | | | -164.8 | 144.5 | 127.7 | 12.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 700 | S | 27.2 | Very low | 32.9 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -127.9 | 144 | 176.5 | -54.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 701 | I | 31.7 | Very low | 32.8 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | | | trans | -131.6 | 152.5 | 167.6 | -63.5 | -174.9 | 0 | 0 | 0 | 109.7 | | |
| 702 | M | 34.9 | Very low | 32.9 | Very low | 185 Ų | 185 | 133 Ų | 133 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | | | trans | -76.5 | 169.9 | -156.7 | -65.3 | 167.4 | 155.6 | 0 | 0 | 117.2 | | |
| 703 | N | 28.8 | Very low | 32.6 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | | | trans | -57.7 | 145.8 | 170.8 | -54.1 | -31.1 | 0 | 0 | 0 | 114 | | |
| 704 | A | 36.4 | Very low | 32.4 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | | | trans | -151.9 | 154.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 705 | N | 34.6 | Very low | 31.9 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | | | trans | -89 | 165.4 | -167.8 | -60.3 | -55 | 0 | 0 | 0 | 114.8 | | |
| 706 | N | 34.3 | Very low | 32.1 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | 81.8 | 124.1 | 141.9 | -85.3 | -33.9 | 0 | 0 | 0 | 122 | | |
| 707 | K | 34.6 | Very low | 32 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 71% | 0.709 | 81% | 0.813 | S | S | * | * | | | trans | 84.5 | 114.8 | 132.7 | -66.9 | 179.3 | -179.1 | -174.3 | 0 | 122 | | |
| 708 | D | 31.1 | Very low | 32 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | | | | 62.6 | 86.2 | 120.2 | -46.5 | -24.9 | 0 | 0 | 0 | 120.6 | | |
| 709 | C | 31.1 | Very low | 32.4 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | | | trans | -159.4 | 105 | 139 | -133.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 710 | L | 30.4 | Very low | 32.2 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | | | | 66.4 | 121.9 | 73.9 | -68.5 | 179.2 | 0 | 0 | 0 | 114.8 | | |
| 711 | L | 29.8 | Very low | 32.3 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | | | trans | 65.9 | 137.5 | 178.9 | -73.6 | 64.3 | 0 | 0 | 0 | 113.8 | | |
| 712 | S | 32.6 | Very low | 32.3 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | cis | -130 | 168.3 | 24.9 | -71.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 713 | K | 30.9 | Very low | 32.1 | Very low | 202 Ų | 202 | 136.9 Ų | 136.9 | 88% | 0.878 | 76% | 0.762 | S | S | * | * | | | trans | -97.5 | 134 | -171.3 | -50.9 | 161.2 | -176.1 | 170.9 | 0 | 111.7 | | |
| 714 | S | 32.5 | Very low | 32.2 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 88% | 0.881 | 76% | 0.757 | S | S | * | * | | | trans | -169.1 | 104.3 | 144.5 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 715 | A | 29 | Very low | 31.9 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | | | trans | -150.5 | 173.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 716 | P | 37.5 | Very low | 31.7 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | | | cis | -109.5 | -166.2 | -35.8 | 38.7 | -25.5 | 0 | 0 | 0 | 109.6 | | |
| 717 | N | 30 | Very low | 31.6 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | | | | -178.8 | 118.4 | 128.7 | -93 | -17.8 | 0 | 0 | 0 | 114.3 | | |
| 718 | S | 33.6 | Very low | 31.3 | Very low | 106 Ų | 106 | 139.8 Ų | 139.8 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | | | trans | -81.6 | -179.5 | 138.8 | -142.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 719 | P | 37.2 | Very low | 31.2 | Very low | 98 Ų | 98 | 136 Ų | 136 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | | | cis | -144.4 | -149.8 | 14.8 | 43.8 | -21.5 | 0 | 0 | 0 | 114 | | |
| 720 | Y | 28.1 | Very low | 30.9 | Very low | 204 Ų | 204 | 142.1 Ų | 142.1 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | | | trans | 71.7 | 156.8 | 162.2 | -89.4 | -147.2 | 0 | 0 | 0 | 116.7 | | |
| 721 | L | 30.3 | Very low | 30.8 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 59% | 0.586 | 75% | 0.748 | S | S | * | * | | | cis | -161.4 | 179.9 | -34.4 | -106.8 | -172.8 | 0 | 0 | 0 | 104.3 | | |
| 722 | Q | 31.8 | Very low | 30.6 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 58% | 0.575 | 75% | 0.747 | S | S | * | * | | | cis | -157.5 | 160.2 | 14.7 | -144.5 | 167.4 | 72.1 | 0 | 0 | 110.5 | | |
| 723 | K | 29.4 | Very low | 30.6 | Very low | 145 Ų | 145 | 140 Ų | 140 | 63% | 0.63 | 74% | 0.74 | S | S | * | * | | | trans | 41 | 129.3 | 152.2 | -74 | 155.9 | -168 | 164.5 | 0 | 120.2 | | |
| 724 | N | 32.4 | Very low | 30.4 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | | | | -157.9 | 88.6 | 108.2 | -97.5 | -29.6 | 0 | 0 | 0 | 110.6 | | |
| 725 | D | 29.1 | Very low | 30.3 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | | | trans | -70.5 | 121.4 | 163.1 | -61.7 | -78.8 | 0 | 0 | 0 | 109.3 | | |
| 726 | Y | 30.3 | Very low | 30.5 | Very low | 175 Ų | 175 | 151.9 Ų | 151.9 | 69% | 0.686 | 74% | 0.74 | S | S | * | * | | | trans | -140.5 | 113.9 | 171.2 | -99.7 | -74.9 | 0 | 0 | 0 | 112.3 | Y728 | Y726-Y728 AromaticContact CD1-CE2 3.82Å; Y726-Y728 HydrophobicContact CD1-CE2 3.82Å |
| 727 | P | 31.4 | Very low | 30.1 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | trans | -89.1 | 114.7 | 177.7 | 33.1 | -31.2 | 0 | 0 | 0 | 111.4 | | |
| 728 | Y | 29.5 | Very low | 30.4 | Very low | 191 Ų | 191 | 150.9 Ų | 150.9 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | | | trans | -133.9 | 138.6 | 163.3 | -74.1 | -83.2 | 0 | 0 | 0 | 109.5 | Y726 | Y726-Y728 AromaticContact CD1-CE2 3.82Å; Y726-Y728 HydrophobicContact CD1-CE2 3.82Å |
| 729 | G | 27.6 | Very low | 30.4 | Very low | 60 Ų | 60 | 151 Ų | 151 | 62% | 0.619 | 74% | 0.738 | S | S | * | * | | | cis | 127.3 | 122.5 | 7.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | I731 | G729-I731 PolarHBondContact O-N 3.47Š|
| 730 | R | 26.2 | Very low | 30.4 | Very low | 248 Ų | 248 | 158 Ų | 158 | 94% | 0.936 | 75% | 0.752 | S | S | * | * | | | trans | -60.9 | 105.5 | -175.1 | -74.1 | 176.6 | 170.7 | 165.5 | -4.4 | 111.6 | | |
| 731 | I | 28 | Very low | 30.8 | Very low | 130 Ų | 130 | 153.3 Ų | 153.3 | 67% | 0.667 | 75% | 0.745 | S | S | * | * | | | trans | -104.8 | 99.7 | 168.3 | -66.1 | 178.7 | 0 | 0 | 0 | 109.5 | G729 L733 | G729-I731 PolarHBondContact O-N 3.47Å; I731-L733 HydrophobicContact CG2-CD1 4.17Å; I731-L733 HydrophobicContact CG2-CG 3.94Å; I731-L733 PolarHBondContact O-N 3.29Å |
| 732 | S | 26.3 | Very low | 30.8 | Very low | 109 Ų | 109 | 153.9 Ų | 153.9 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | | | trans | -81.5 | 76.8 | -179.5 | -170.2 | 0 | 0 | 0 | 0 | 111.6 | R734 | S732-R734 PolarHBondContact O-N 3.42Š|
| 733 | L | 30.7 | Very low | 30.9 | Very low | 134 Ų | 134 | 155.6 Ų | 155.6 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | | | trans | -78.1 | 88 | 175.1 | -86.1 | 170.7 | 0 | 0 | 0 | 111.6 | I731 R735 | I731-L733 HydrophobicContact CG2-CD1 4.17Å; I731-L733 HydrophobicContact CG2-CG 3.94Å; I731-L733 PolarHBondContact O-N 3.29Å; L733-R735 PolarHBondContact O-N 2.63Å |
| 734 | R | 27.4 | Very low | 31.1 | Very low | 221 Ų | 221 | 155.9 Ų | 155.9 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | -62.8 | 69.3 | 165 | -74.9 | 176.8 | 163.2 | 164.5 | -5.3 | 112 | S732 R736 | S732-R734 PolarHBondContact O-N 3.42Å; R734-R736 VanDerWaalsContact C-N 3.29Å; R734-R736 PolarHBondContact O-N 2.87Å |
| 735 | R | 31 | Very low | 31.5 | Very low | 228 Ų | 228 | 155.2 Ų | 155.2 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | -74.2 | 88.1 | 162.8 | -74.1 | -166.4 | 174.1 | -161.9 | -1.3 | 108.7 | L733 A737 | L733-R735 PolarHBondContact O-N 2.63Å; R735-A737 PolarHBondContact O-N 2.92Å |
| 736 | R | 33.3 | Very low | 31.9 | Very low | 227 Ų | 227 | 153.5 Ų | 153.5 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 126.9 | 172.4 | -68.9 | 175.8 | 173.4 | 162.4 | -3.1 | 109.1 | R734 I738 | R734-R736 VanDerWaalsContact C-N 3.29Å; R734-R736 PolarHBondContact O-N 2.87Å; R736-I738 PolarHBondContact O-N 3.27Å |
| 737 | A | 29.2 | Very low | 32.1 | Very low | 99 Ų | 99 | 152.4 Ų | 152.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62 | 119.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | R735 P739 | R735-A737 PolarHBondContact O-N 2.92Å; A737-P739 VanDerWaalsContact O-CD 3.32Å; A737-P739 WeakPolarHBondContact O-CD 3.37Å |
| 738 | I | 36.1 | Very low | 32.3 | Very low | 149 Ų | 149 | 155.7 Ų | 155.7 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 116 | 173.6 | -61 | 172.6 | 0 | 0 | 0 | 106.9 | R736 R740 | R736-I738 PolarHBondContact O-N 3.27Å; I738-R740 PolarHBondContact O-N 3.47Å; I738-R740 VanDerWaalsContact O-N 3.11Å |
| 739 | P | 33.7 | Very low | 32.5 | Very low | 107 Ų | 107 | 159 Ų | 159 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | | | trans | -69.7 | 110.6 | 175.1 | 29 | -32.4 | 0 | 0 | 0 | 108.6 | A737 T741 | A737-P739 VanDerWaalsContact O-CD 3.32Å; A737-P739 WeakPolarHBondContact O-CD 3.37Å; P739-T741 VanDerWaalsContact C-N 3.32Å; P739-T741 PolarHBondContact O-N 3.3Å |
| 740 | R | 36.4 | Very low | 32.9 | Very low | 245 Ų | 245 | 164.8 Ų | 164.8 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | | | trans | -76.8 | 86 | 171.1 | -78.1 | -174.9 | 169 | 134.6 | -3.3 | 109.6 | I738 | I738-R740 PolarHBondContact O-N 3.47Å; I738-R740 VanDerWaalsContact O-N 3.11Å |
| 741 | T | 37.6 | Very low | 33.3 | Very low | 107 Ų | 107 | 159.5 Ų | 159.5 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | | | trans | -65 | 149 | 161 | 43.7 | 0 | 0 | 0 | 0 | 110.1 | P739 | P739-T741 VanDerWaalsContact C-N 3.32Å; P739-T741 PolarHBondContact O-N 3.3Å |
| 742 | P | 30.3 | Very low | 33.6 | Very low | 124 Ų | 124 | 159.6 Ų | 159.6 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | | | trans | -76.8 | 134.8 | 177.3 | 31.5 | -33.4 | 0 | 0 | 0 | 110.3 | | |
| 743 | I | 33.5 | Very low | 34 | Very low | 159 Ų | 159 | 160.4 Ų | 160.4 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | | | trans | -125.4 | 127.8 | 166 | -62.6 | -176.5 | 0 | 0 | 0 | 108.2 | | |
| 744 | I | 34.2 | Very low | 34.3 | Very low | 150 Ų | 150 | 159.2 Ų | 159.2 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | -83.9 | 144.8 | -175.6 | -65.6 | 164.9 | 0 | 0 | 0 | 109.1 | | |
| 745 | T | 40 | Very low | 34.8 | Very low | 130 Ų | 130 | 153.4 Ų | 153.4 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | | | trans | -71.9 | 147.6 | 177.1 | 52.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 746 | P | 36.7 | Very low | 35 | Very low | 112 Ų | 112 | 149.6 Ų | 149.6 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -116 | 139.3 | 153.1 | -0.3 | 22 | 0 | 0 | 0 | 115 | | |
| 747 | L | 36.1 | Very low | 35.4 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | 52 | 99 | 144.5 | -82.8 | 61.2 | 0 | 0 | 0 | 121.7 | | |
| 748 | K | 33.8 | Very low | 35.7 | Very low | 189 Ų | 189 | 150.5 Ų | 150.5 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | | 33.1 | 123.8 | 104.2 | -59.3 | 170.5 | -178.9 | 168.7 | 0 | 118 | | |
| 749 | R | 35.6 | Very low | 35.8 | Very low | 260 Ų | 260 | 150.3 Ų | 150.3 | 98% | 0.981 | 78% | 0.781 | S | S | * | * | | | trans | -120.3 | 141.4 | 136.8 | -103.4 | -175.5 | 166.4 | 111.2 | -1.8 | 109.5 | | |
| 750 | K | 34.2 | Very low | 36.1 | Very low | 181 Ų | 181 | 151 Ų | 151 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | | | trans | -105.2 | 126.7 | 175.6 | -72.8 | 179 | 176 | 177.8 | 0 | 110 | | |
| 751 | V | 36.2 | Very low | 36.2 | Very low | 137 Ų | 137 | 147 Ų | 147 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | | | trans | -148.8 | 103.5 | 151 | -174 | 0 | 0 | 0 | 0 | 104.7 | | |
| 752 | L | 32.8 | Very low | 36.3 | Very low | 132 Ų | 132 | 149.5 Ų | 149.5 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | | 79.2 | 122 | 72.1 | -96.5 | 84.1 | 0 | 0 | 0 | 115.9 | | |
| 753 | T | 35.2 | Very low | 36.7 | Very low | 127 Ų | 127 | 150.3 Ų | 150.3 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | | | trans | 80.5 | 161.1 | 150.8 | 67.7 | 0 | 0 | 0 | 0 | 118 | | |
| 754 | P | 38 | Very low | 36.8 | Very low | 108 Ų | 108 | 150.2 Ų | 150.2 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | | -142.1 | -158.6 | -84.3 | 39.7 | -18.1 | 0 | 0 | 0 | 114.2 | | |
| 755 | S | 36.8 | Very low | 36.7 | Very low | 100 Ų | 100 | 148.3 Ų | 148.3 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | | | trans | 76.7 | 158.4 | 163.8 | 86.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 756 | N | 36 | Very low | 36.4 | Very low | 147 Ų | 147 | 148.6 Ų | 148.6 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | | | cis | -164.5 | 134.2 | -30 | -106.6 | -17.7 | 0 | 0 | 0 | 107.8 | | |
| 757 | H | 40.5 | Very low | 36 | Very low | 185 Ų | 185 | 150.1 Ų | 150.1 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | | | | -168.6 | 168.2 | 124.8 | -118.8 | -98.6 | 0 | 0 | 0 | 112 | | |
| 758 | H | 35.8 | Very low | 35.9 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | | | trans | -129 | -163.1 | -161.1 | -158.7 | 55 | 0 | 0 | 0 | 111.5 | | |
| 759 | I | 38.7 | Very low | 35.7 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | | | trans | 91.9 | 126.3 | 173.5 | -55.6 | 165.3 | 0 | 0 | 0 | 114 | | |
| 760 | H | 39.4 | Very low | 35.7 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 56% | 0.56 | 74% | 0.741 | S | S | * | * | | | cis | -171.3 | 137 | -21.4 | -143.8 | 176.3 | 0 | 0 | 0 | 111.2 | | |
| 761 | K | 39.4 | Very low | 35.6 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 70% | 0.704 | 74% | 0.742 | S | S | * | * | | | trans | 62.3 | 155.2 | 149.1 | -78.7 | 167.8 | -178.1 | 157.8 | 0 | 118.3 | | |
| 762 | K | 39.4 | Very low | 35.7 | Very low | 159 Ų | 159 | 139 Ų | 139 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | | | cis | -147.3 | 138.8 | 4.1 | -121.6 | -179.1 | 178.2 | -171.1 | 0 | 108.2 | | |
| 763 | Q | 39.4 | Very low | 35.9 | Very low | 140 Ų | 140 | 141 Ų | 141 | 65% | 0.654 | 74% | 0.742 | S | S | * | * | | | | 56.9 | 136.9 | 110.1 | -64.1 | -177.4 | -38.3 | 0 | 0 | 116.3 | | |
| 764 | F | 34.1 | Very low | 35.9 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 69% | 0.689 | 74% | 0.738 | S | S | * | * | | | cis | -164.2 | 154.6 | 10 | -133.6 | -152.3 | 0 | 0 | 0 | 111.6 | | |
| 765 | N | 33.7 | Very low | 35.8 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 59% | 0.588 | 74% | 0.74 | S | S | * | * | | | | 40.3 | 151 | 130 | -66 | 9.5 | 0 | 0 | 0 | 122.4 | | |
| 766 | L | 31.9 | Very low | 35.8 | Very low | 136 Ų | 136 | 144.6 Ų | 144.6 | 71% | 0.712 | 75% | 0.746 | S | S | * | * | | | cis | -163.2 | 171 | -0.3 | -115.6 | 168.6 | 0 | 0 | 0 | 112 | | |
| 767 | L | 29.1 | Very low | 35.8 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | | | trans | -12.1 | 144.1 | 162.1 | -97.8 | 56.6 | 0 | 0 | 0 | 120.4 | | |
| 768 | S | 33.1 | Very low | 35.6 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | | | | -165.3 | 153.6 | 107.6 | -82.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 769 | T | 31 | Very low | 35.6 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | | | trans | -110.3 | 156.1 | -177.5 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 770 | C | 35 | Very low | 35.6 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 90% | 0.899 | 73% | 0.725 | S | S | * | * | | | trans | -148.8 | 120.1 | 156.8 | -92.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 771 | N | 32.2 | Very low | 35.5 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 82% | 0.824 | 73% | 0.728 | S | S | * | * | | | trans | -103.2 | 154.4 | 165.2 | -80.2 | -38.4 | 0 | 0 | 0 | 109.7 | | |
| 772 | N | 38.5 | Very low | 35.3 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | | | trans | -165.5 | 115.7 | 148.6 | -91.8 | -37.9 | 0 | 0 | 0 | 109.2 | | |
| 773 | K | 37.2 | Very low | 35.1 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | | | | 81.5 | 95.3 | 83.6 | -79.8 | -171.4 | -174.3 | 170.2 | 0 | 113.5 | | |
| 774 | T | 35.5 | Very low | 35 | Very low | 114 Ų | 114 | 133 Ų | 133 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | | | | 73.1 | 123.5 | 84.8 | 57.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 775 | N | 35.6 | Very low | 35.2 | Very low | 139 Ų | 139 | 129.7 Ų | 129.7 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | | | | -178 | 148.5 | 109.4 | -105.6 | -46.4 | 0 | 0 | 0 | 116.9 | | |
| 776 | L | 36.2 | Very low | 35.3 | Very low | 156 Ų | 156 | 132 Ų | 132 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | | | trans | 59.1 | 156.7 | 151.9 | -59.8 | 160.2 | 0 | 0 | 0 | 120.5 | | |
| 777 | S | 35.3 | Very low | 35.4 | Very low | 95 Ų | 95 | 129.1 Ų | 129.1 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | | | cis | -178.2 | 150.3 | -33.8 | -169.9 | 0 | 0 | 0 | 0 | 106.7 | | |
| 778 | I | 36.9 | Very low | 35.6 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | | | | 173 | 135.4 | 84.6 | -90.9 | -175.6 | 0 | 0 | 0 | 108.8 | | |
| 779 | H | 37.1 | Very low | 35.6 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | | | trans | 59.6 | 150.5 | 153.6 | -73.3 | -138.1 | 0 | 0 | 0 | 120.7 | | |
| 780 | E | 38.7 | Very low | 35.4 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 62% | 0.621 | 71% | 0.714 | S | S | * | * | | | cis | -161.6 | 155 | -10.1 | -120.9 | 180 | 140.4 | 0 | 0 | 113 | | |
| 781 | N | 35.3 | Very low | 35.2 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 63% | 0.631 | 70% | 0.704 | S | S | * | * | | | trans | 47.3 | 146.5 | 137.7 | -64.2 | -9.2 | 0 | 0 | 0 | 122.8 | | |
| 782 | L | 37 | Very low | 35.3 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | | | cis | -155.8 | 161.1 | 2 | -118.3 | 162.7 | 0 | 0 | 0 | 111.2 | | |
| 783 | S | 34.2 | Very low | 35.1 | Very low | 88 Ų | 88 | 129.2 Ų | 129.2 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | | | trans | -11.6 | 133.3 | 165.5 | 58.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 784 | S | 37.6 | Very low | 35.1 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | | | | -179 | 170.3 | 75.6 | -91.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 785 | S | 39.2 | Very low | 35 | Very low | 87 Ų | 87 | 129.8 Ų | 129.8 | 61% | 0.608 | 72% | 0.716 | S | S | * | * | | | cis | 178.9 | 155.6 | -24.2 | -85.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 786 | I | 35.5 | Very low | 35 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 82% | 0.821 | 72% | 0.721 | S | S | * | * | | | trans | 60.8 | 125.1 | 150.5 | -67.8 | 165.1 | 0 | 0 | 0 | 117.5 | | |
| 787 | S | 34 | Very low | 34.9 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 52% | 0.517 | 72% | 0.715 | S | S | . | * | | | cis | -170.5 | 154.1 | 1.4 | -115.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 788 | Q | 33.6 | Very low | 34.9 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | | | trans | 57.6 | 151.7 | 135.6 | -63.5 | 166.6 | -70.7 | 0 | 0 | 120.1 | | |
| 789 | L | 32.5 | Very low | 34.7 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 70% | 0.702 | 72% | 0.721 | S | S | * | * | | | cis | -153.5 | 152.8 | -15.6 | -95.5 | 158.6 | 0 | 0 | 0 | 104.1 | | |
| 790 | C | 27.7 | Very low | 34.7 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 63% | 0.628 | 72% | 0.72 | S | S | * | * | | | | 43.8 | 135.2 | 77.9 | -59.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 791 | D | 30.2 | Very low | 34.7 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | | | cis | -160.4 | -164.4 | -11.4 | -102.8 | -41.7 | 0 | 0 | 0 | 107.1 | | |
| 792 | D | 34 | Very low | 34.8 | Very low | 157 Ų | 157 | 128 Ų | 128 | 84% | 0.84 | 72% | 0.723 | S | S | * | * | | | trans | 79 | 152.1 | 155.8 | -57.2 | -45 | 0 | 0 | 0 | 120.8 | | |
| 793 | D | 33.5 | Very low | 34.8 | Very low | 154 Ų | 154 | 127.6 Ų | 127.6 | 82% | 0.824 | 72% | 0.722 | S | S | * | * | | | trans | -75.1 | 156.4 | 178.6 | -61.6 | -87.8 | 0 | 0 | 0 | 112.2 | | |
| 794 | D | 38.5 | Very low | 34.8 | Very low | 167 Ų | 167 | 130.1 Ų | 130.1 | 89% | 0.893 | 73% | 0.727 | S | S | * | * | | | | -156.6 | 154.5 | 118.2 | -124.4 | -32.3 | 0 | 0 | 0 | 113.4 | | |
| 795 | N | 32.5 | Very low | 34.8 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | | | trans | -119.5 | 123.1 | 178.6 | 158.4 | 105 | 0 | 0 | 0 | 109 | | |
| 796 | D | 36.7 | Very low | 34.5 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 86% | 0.861 | 73% | 0.725 | S | S | * | * | | | trans | -148.8 | 161.6 | 159 | -137.4 | -22.4 | 0 | 0 | 0 | 115 | | |
| 797 | N | 32.9 | Very low | 34.6 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 68% | 0.679 | 72% | 0.721 | S | S | * | * | | | trans | -141 | 114.5 | -160.4 | 164.5 | 50.1 | 0 | 0 | 0 | 111.9 | | |
| 798 | T | 34.7 | Very low | 34.6 | Very low | 134 Ų | 134 | 132 Ų | 132 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | | | trans | -149.5 | 130.9 | 158.6 | 32.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 799 | N | 33.7 | Very low | 34.7 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | | | cis | 88.1 | 106.5 | 42.2 | -174.2 | 37.2 | 0 | 0 | 0 | 114 | | |
| 800 | S | 37.9 | Very low | 35 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | | | trans | -178.5 | 116.2 | 154.9 | -87.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 801 | N | 38.8 | Very low | 35.4 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | | | | 78.2 | 136.9 | 92.4 | -63.9 | -33.4 | 0 | 0 | 0 | 113.9 | | |
| 802 | N | 35.9 | Very low | 36.1 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 68% | 0.684 | 73% | 0.729 | S | S | * | * | | | cis | -164.8 | 170.6 | -8.4 | -116.1 | -19.4 | 0 | 0 | 0 | 113.4 | | |
| 803 | N | 38.2 | Very low | 36.2 | Very low | 136 Ų | 136 | 131 Ų | 131 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | | | trans | 75.2 | 126.5 | 162.2 | -59 | -15 | 0 | 0 | 0 | 118.2 | | |
| 804 | L | 34 | Very low | 36.3 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | | | cis | 85.6 | 117.4 | 43.1 | -159.5 | 87.5 | 0 | 0 | 0 | 110.7 | | |
| 805 | I | 37 | Very low | 36.3 | Very low | 139 Ų | 139 | 126 Ų | 126 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | | | | -170.6 | 117.7 | 82.9 | -86.4 | 174.4 | 0 | 0 | 0 | 106.1 | | |
| 806 | T | 33.7 | Very low | 36.5 | Very low | 99 Ų | 99 | 123.7 Ų | 123.7 | 61% | 0.607 | 71% | 0.71 | S | S | * | * | | | | 51 | 147.1 | 95.2 | 59.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 807 | E | 36.6 | Very low | 36.6 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | | | cis | -174 | -179.7 | -9.5 | -106.7 | -163.5 | 71.6 | 0 | 0 | 107.9 | | |
| 808 | S | 34.4 | Very low | 36.8 | Very low | 71 Ų | 71 | 123.8 Ų | 123.8 | 50% | 0.497 | 71% | 0.709 | S | S | . | * | | | cis | -171.4 | 173.6 | -30.9 | 55.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 809 | H | 35.3 | Very low | 36.9 | Very low | 167 Ų | 167 | 123 Ų | 123 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | | | trans | 63.2 | 156.2 | 160.8 | -71.4 | -60.2 | 0 | 0 | 0 | 119.7 | | |
| 810 | S | 38.2 | Very low | 37.1 | Very low | 94 Ų | 94 | 120 Ų | 120 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | | | cis | -164.5 | 151.5 | -8.8 | -111.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 811 | Q | 36 | Very low | 37.1 | Very low | 178 Ų | 178 | 120.9 Ų | 120.9 | 83% | 0.832 | 71% | 0.714 | S | S | * | * | | | trans | 50.1 | 156.2 | 145.5 | -71.1 | -73.4 | -55.3 | 0 | 0 | 124.1 | | |
| 812 | P | 46 | Very low | 37.2 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | | | trans | -123.6 | 163.2 | -179.5 | 42.5 | -29.7 | 0 | 0 | 0 | 116.4 | | |
| 813 | S | 35 | Very low | 37.2 | Very low | 109 Ų | 109 | 119.1 Ų | 119.1 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | | | trans | -166.8 | 126.9 | 157.6 | 58.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 814 | S | 36.3 | Very low | 37.1 | Very low | 102 Ų | 102 | 118.1 Ų | 118.1 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | | | trans | 59.8 | 140.6 | 135.8 | 66.9 | 0 | 0 | 0 | 0 | 125.6 | | |
| 815 | S | 38.9 | Very low | 37.4 | Very low | 114 Ų | 114 | 115.8 Ų | 115.8 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | | | trans | 78.8 | 159.4 | 147.4 | 86.9 | 0 | 0 | 0 | 0 | 119 | | |
| 816 | S | 35.9 | Very low | 37.5 | Very low | 86 Ų | 86 | 115.1 Ų | 115.1 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | | | cis | -173.1 | 168.2 | -35.2 | 59.6 | 0 | 0 | 0 | 0 | 110 | | |
| 817 | K | 39.3 | Very low | 38 | Very low | 195 Ų | 195 | 114.4 Ų | 114.4 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | | | trans | 70.8 | 160.5 | 167.9 | -57.4 | 170.7 | -174.8 | 177.6 | 0 | 116.6 | | |
| 818 | S | 36.9 | Very low | 38.1 | Very low | 96 Ų | 96 | 111.8 Ų | 111.8 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | | | cis | -169.3 | 153.8 | -31.1 | 56.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 819 | S | 36.3 | Very low | 38.4 | Very low | 118 Ų | 118 | 115.9 Ų | 115.9 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | | | trans | 53.4 | 124.8 | 142.1 | 62.9 | 0 | 0 | 0 | 0 | 123.6 | | |
| 820 | G | 39.1 | Very low | 38.5 | Very low | 65 Ų | 65 | 112 Ų | 112 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | | | trans | 167 | 118.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 821 | S | 37.6 | Very low | 38.7 | Very low | 114 Ų | 114 | 113.4 Ų | 113.4 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | | | | 60.6 | 127.9 | 57.9 | 79.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 822 | S | 40.1 | Very low | 39.3 | Very low | 105 Ų | 105 | 114.6 Ų | 114.6 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | cis | -152 | 177.9 | 29.3 | -59.6 | 0 | 0 | 0 | 0 | 115 | | |
| 823 | S | 36.3 | Very low | 38.9 | Very low | 105 Ų | 105 | 115 Ų | 115 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | -46 | 171.9 | 161.2 | 50.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 824 | T | 37.1 | Very low | 39.1 | Very low | 116 Ų | 116 | 115.3 Ų | 115.3 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | | | cis | -160.1 | 177.2 | 44.7 | 51.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 825 | S | 40.5 | Very low | 39.3 | Very low | 91 Ų | 91 | 116 Ų | 116 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | | | trans | 54.3 | 105.4 | 141.4 | 58.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 826 | S | 37.3 | Very low | 39.3 | Very low | 125 Ų | 125 | 116.1 Ų | 116.1 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | | 77.3 | 117.6 | 68.3 | 74.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 827 | G | 44.9 | Very low | 39.5 | Very low | 84 Ų | 84 | 118 Ų | 118 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | | | trans | -166.4 | 124.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 828 | S | 39.5 | Very low | 39.5 | Very low | 105 Ų | 105 | 112.9 Ų | 112.9 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | -119.3 | -174.6 | -173.4 | 55 | 0 | 0 | 0 | 0 | 111.5 | | |
| 829 | L | 39.1 | Very low | 39.7 | Very low | 157 Ų | 157 | 114.1 Ų | 114.1 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | 73.6 | 149.6 | -179.8 | -56.8 | 111.9 | 0 | 0 | 0 | 116.1 | | |
| 830 | S | 38.9 | Very low | 40 | Very low | 84 Ų | 84 | 113.8 Ų | 113.8 | 59% | 0.587 | 80% | 0.797 | S | S | * | * | | | cis | -178.1 | 167.3 | -45.9 | 50 | 0 | 0 | 0 | 0 | 108.8 | | |
| 831 | T | 41.8 | Very low | 40.1 | Very low | 124 Ų | 124 | 117.8 Ų | 117.8 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | | | trans | 54.4 | 93.2 | 153.6 | 48.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 832 | S | 47.6 | Very low | 40.3 | Very low | 204 Ų | 204 | 118.2 Ų | 118.2 | 100% | 1.427 | 81% | 0.808 | S | S | * | * | | | | -147.4 | 0 | 117.5 | -71.5 | 0 | 0 | 0 | 0 | 108.5 | | |