| 1 | M | 39 | Very low | 41.1 | Very low | 227 Ų | 227 | 150.5 Ų | 150.5 | 100% | 1.118 | 82% | 0.824 | S | S | * | * | | | | 0 | 111.7 | 0 | -60 | 164 | -172.8 | 0 | 0 | 104.8 | | |
| 2 | Y | 38.4 | Very low | 40.7 | Very low | 215 Ų | 215 | 148 Ų | 148 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | | | | 57.8 | 121.8 | 72.3 | -72.8 | -56.4 | 0 | 0 | 0 | 110.5 | | |
| 3 | Q | 41.7 | Very low | 40.4 | Very low | 173 Ų | 173 | 146.4 Ų | 146.4 | 81% | 0.808 | 83% | 0.831 | S | S | * | * | | | cis | -103.9 | -177.1 | -2.7 | -125.2 | 55.8 | -13.6 | 0 | 0 | 110.2 | | |
| 4 | G | 39.2 | Very low | 39.9 | Very low | 64 Ų | 64 | 143.9 Ų | 143.9 | 66% | 0.66 | 83% | 0.827 | S | S | * | * | | | cis | -175 | -159.3 | 5.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 5 | I | 50.7 | Low | 40 | Very low | 146 Ų | 146 | 149.1 Ų | 149.1 | 75% | 0.749 | 83% | 0.83 | S | S | * | * | | | trans | -149.4 | 140.6 | -165.8 | -65.4 | 162.6 | 0 | 0 | 0 | 107.3 | | |
| 6 | M | 41.8 | Very low | 39.6 | Very low | 181 Ų | 181 | 150.9 Ų | 150.9 | 89% | 0.892 | 83% | 0.83 | S | S | * | * | | | trans | -156.9 | 126.6 | 135.7 | -88.6 | -43.5 | 159.5 | 0 | 0 | 111.8 | | |
| 7 | T | 44.5 | Very low | 39.5 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | | | trans | -96.8 | 152.6 | 165.9 | 49 | 0 | 0 | 0 | 0 | 110 | | |
| 8 | S | 40.7 | Very low | 39.1 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | | | trans | -150.1 | 138.1 | 162.6 | -77 | 0 | 0 | 0 | 0 | 110.4 | | |
| 9 | N | 43 | Very low | 38.9 | Very low | 150 Ų | 150 | 144.2 Ų | 144.2 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | | | trans | -146.5 | 88.2 | -169.6 | -179.9 | 31.3 | 0 | 0 | 0 | 110.7 | | |
| 10 | H | 41.5 | Very low | 39 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | | | trans | -147.4 | 144.7 | 172.8 | -54.3 | -74.3 | 0 | 0 | 0 | 107.8 | | |
| 11 | G | 31.7 | Very low | 39.1 | Very low | 74 Ų | 74 | 146 Ų | 146 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | | | cis | -171.2 | 165.8 | -5.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 12 | S | 35.7 | Very low | 38.7 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | trans | -83.9 | 126.3 | -178.3 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | S14 | S12-S14 PolarHBondContact O-N 3.21Š|
| 13 | S | 37.2 | Very low | 38.7 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | | | trans | -81.4 | 110.7 | 163.9 | -69.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 14 | S | 33.1 | Very low | 38.6 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -93.7 | 149.1 | 163.2 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | S12 | S12-S14 PolarHBondContact O-N 3.21Š|
| 15 | Y | 42.3 | Very low | 38.6 | Very low | 222 Ų | 222 | 134.6 Ų | 134.6 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | | | trans | -140.2 | 122.6 | 157 | 65.7 | -93.3 | 0 | 0 | 0 | 111.6 | | |
| 16 | E | 33.2 | Very low | 38 | Very low | 178 Ų | 178 | 132.2 Ų | 132.2 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -76.5 | 176.7 | 163.6 | -85.7 | -164.3 | 87 | 0 | 0 | 110.8 | | |
| 17 | A | 38 | Very low | 38 | Very low | 81 Ų | 81 | 129.7 Ų | 129.7 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | | | cis | -170.7 | 171.5 | -29.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 18 | G | 31.5 | Very low | 37.5 | Very low | 66 Ų | 66 | 129 Ų | 129 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | | | trans | 152.2 | 81.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 19 | F | 36.2 | Very low | 38.2 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | | 50.6 | 105.1 | 91 | -78.3 | -80.9 | 0 | 0 | 0 | 115.2 | | |
| 20 | L | 40.6 | Very low | 38.4 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | | | | -169.4 | 171.2 | 97 | -97.5 | 174.4 | 0 | 0 | 0 | 112 | | |
| 21 | H | 40.7 | Very low | 38.2 | Very low | 164 Ų | 164 | 129 Ų | 129 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | | | trans | -92.8 | 158.1 | -172 | -60.7 | -117.1 | 0 | 0 | 0 | 113.3 | | |
| 22 | N | 32 | Very low | 38.8 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | | -147.2 | 140.7 | 129.3 | -166.7 | 16.4 | 0 | 0 | 0 | 111 | | |
| 23 | A | 37.9 | Very low | 39.4 | Very low | 95 Ų | 95 | 130.3 Ų | 130.3 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -156.7 | 95.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 24 | S | 40.3 | Very low | 39.6 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | | | trans | -163.4 | 123.6 | 165.2 | 41.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 25 | A | 38.4 | Very low | 40.2 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | | | | 71.9 | 122.2 | 68.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 26 | A | 37.9 | Very low | 40.3 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | | | cis | -141.2 | -134.9 | -7.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 27 | T | 41.6 | Very low | 40.8 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | cis | -150.7 | 141.1 | 16 | 50.8 | 0 | 0 | 0 | 0 | 113 | | |
| 28 | S | 34.1 | Very low | 40.7 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | trans | 67.4 | 121.5 | 145.9 | -151.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 29 | P | 55.8 | Low | 41.1 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | trans | -97.1 | 150 | 160.9 | 37.2 | -30.7 | 0 | 0 | 0 | 112.7 | | |
| 30 | V | 47.2 | Very low | 42.4 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | trans | -122.9 | 97.7 | -177.6 | -176 | 0 | 0 | 0 | 0 | 113.5 | | |
| 31 | Y | 36.4 | Very low | 42.3 | Very low | 198 Ų | 198 | 130.3 Ų | 130.3 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | trans | 57.4 | 139.2 | 133.5 | -139.4 | -104.8 | 0 | 0 | 0 | 123.2 | P33 | Y31-P33 HydrophobicContact CD1-CG 4.47Å; Y31-P33 HydrophobicContact CE1-CG 4.15Å |
| 32 | V | 45.7 | Very low | 42.7 | Very low | 122 Ų | 122 | 130 Ų | 130 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | | | trans | -140.1 | 134.2 | 171.5 | 176.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 33 | P | 48.1 | Very low | 42.8 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | | | trans | -134.3 | 126 | 142.7 | 34.6 | -20.9 | 0 | 0 | 0 | 111.4 | Y31 | Y31-P33 HydrophobicContact CD1-CG 4.47Å; Y31-P33 HydrophobicContact CE1-CG 4.15Å |
| 34 | T | 40.6 | Very low | 42.8 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | | | | 85 | 97.5 | 65.2 | -63.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 35 | T | 46.4 | Very low | 43 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | 64 | 158.9 | 162.6 | 65 | 0 | 0 | 0 | 0 | 115.9 | | |
| 36 | R | 43.2 | Very low | 43.8 | Very low | 233 Ų | 233 | 132.8 Ų | 132.8 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | | | cis | -153.5 | 168 | 48.7 | -47 | -177.2 | -171.1 | -149.5 | -5.2 | 112.2 | | |
| 37 | V | 44.3 | Very low | 43.6 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | | | trans | -83.1 | 144 | 167.5 | 174.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 38 | V | 35.1 | Very low | 43.6 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | 178.1 | 125.8 | 140.7 | 144.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 39 | T | 40.8 | Very low | 43.8 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | -107.2 | 162.7 | 149.1 | 41.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 40 | P | 63.7 | Low | 42.8 | Very low | 96 Ų | 96 | 139.6 Ų | 139.6 | 62% | 0.623 | 77% | 0.766 | S | S | * | * | | | cis | -124.3 | -160.6 | 18.9 | 25.7 | 0.5 | 0 | 0 | 0 | 112.6 | | |
| 41 | M | 38.7 | Very low | 43.4 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | | | | -165.2 | 171 | 85.9 | -77 | -57.5 | -178.5 | 0 | 0 | 113.2 | | |
| 42 | I | 47.9 | Very low | 43.3 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | trans | -106.9 | 154 | -162.1 | -39.1 | 163.7 | 0 | 0 | 0 | 112.8 | | |
| 43 | S | 35.1 | Very low | 42.8 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -172.6 | 148.9 | 145.1 | -82.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 44 | A | 37 | Very low | 42.4 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | cis | -143.8 | -176.7 | 7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 45 | L | 44.4 | Very low | 42.5 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -116.7 | -155.9 | -177.2 | -53 | 169.5 | 0 | 0 | 0 | 109.6 | | |
| 46 | P | 54.9 | Low | 41.9 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | | | cis | -136.3 | -177.3 | -18.5 | 41.5 | -24.1 | 0 | 0 | 0 | 115.1 | | |
| 47 | Y | 33.7 | Very low | 41.3 | Very low | 187 Ų | 187 | 130.2 Ų | 130.2 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | | 169.5 | 106.1 | 116.2 | -163.4 | -99.3 | 0 | 0 | 0 | 115.6 | | |
| 48 | L | 42.9 | Very low | 40.8 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 61% | 0.613 | 78% | 0.78 | S | S | * | * | | | trans | 53.3 | 159.8 | 150.6 | -86.3 | 62.9 | 0 | 0 | 0 | 121.9 | | |
| 49 | Q | 37.2 | Very low | 42 | Very low | 166 Ų | 166 | 128.5 Ų | 128.5 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | cis | -146.1 | 171.9 | 10.4 | -148.2 | 151.1 | -13.1 | 0 | 0 | 115.6 | | |
| 50 | T | 34.6 | Very low | 41.6 | Very low | 126 Ų | 126 | 128.3 Ų | 128.3 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | -89.1 | -171.2 | -174.9 | 21.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 51 | P | 59.8 | Low | 40.1 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | | | cis | -125.1 | -165.7 | 2.3 | 44.2 | -28.2 | 0 | 0 | 0 | 113.8 | | |
| 52 | G | 35.9 | Very low | 39.8 | Very low | 73 Ų | 73 | 125.2 Ų | 125.2 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | cis | 123.9 | 110.6 | -11.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 53 | A | 34.9 | Very low | 39 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | | | trans | -160.6 | 161.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 54 | S | 40.2 | Very low | 38.8 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | trans | -161.3 | -174.1 | 176.7 | 66.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 55 | Q | 40.8 | Very low | 38.9 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | | | trans | 77.7 | 150.3 | -172.7 | -45.4 | -68.5 | 14.4 | 0 | 0 | 114.1 | | |
| 56 | Q | 34.8 | Very low | 38.3 | Very low | 173 Ų | 173 | 130.3 Ų | 130.3 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | | | cis | -163.6 | 164.4 | -5.5 | -123.8 | 163.9 | 36.4 | 0 | 0 | 110.9 | | |
| 57 | G | 31.1 | Very low | 37.7 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | 119.1 | 138.3 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 58 | S | 33.8 | Very low | 37.9 | Very low | 120 Ų | 120 | 127 Ų | 127 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | | | trans | -138.8 | -167.7 | 174.7 | -37.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 59 | P | 60 | Low | 38.2 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | cis | -133.1 | -143.5 | -17 | 39.9 | -18.7 | 0 | 0 | 0 | 112.2 | | |
| 60 | V | 31.8 | Very low | 38 | Very low | 121 Ų | 121 | 122.6 Ų | 122.6 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | trans | 85.5 | 125 | 177.1 | -179.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 61 | S | 33.1 | Very low | 38 | Very low | 105 Ų | 105 | 120.8 Ų | 120.8 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | cis | 96.9 | 152.9 | 20.5 | -161.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 62 | S | 31.4 | Very low | 37 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | trans | 75.8 | 162.3 | -176.5 | -30.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 63 | H | 32.1 | Very low | 37.7 | Very low | 170 Ų | 170 | 124.2 Ų | 124.2 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | | | cis | -171.1 | 151.1 | -42.2 | -108.6 | -75.4 | 0 | 0 | 0 | 108.2 | | |
| 64 | S | 30.5 | Very low | 37.8 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | trans | 63.8 | 158.1 | 160.8 | -55.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 65 | V | 38.9 | Very low | 38.1 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | | | cis | 85.2 | 84.4 | 17 | -171.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 66 | W | 31.5 | Very low | 37.8 | Very low | 243 Ų | 243 | 123.5 Ų | 123.5 | 92% | 0.92 | 76% | 0.763 | S | S | * | * | | | trans | -172.1 | 139 | 145.4 | -106.5 | -4.6 | 0 | 0 | 0 | 107.2 | | |
| 67 | A | 42 | Very low | 38 | Very low | 72 Ų | 72 | 125.7 Ų | 125.7 | 60% | 0.595 | 77% | 0.766 | S | S | * | * | | | cis | 83.5 | 136.3 | 10.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 68 | Q | 39.5 | Very low | 38.1 | Very low | 160 Ų | 160 | 129 Ų | 129 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | 104.4 | 156.6 | 157 | -58.4 | -55.1 | -28.4 | 0 | 0 | 117.6 | | |
| 69 | P | 48.3 | Very low | 38.1 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | | | cis | -130.1 | 176.4 | -5.7 | 22.8 | 1.3 | 0 | 0 | 0 | 116.5 | | |
| 70 | G | 32.6 | Very low | 36.9 | Very low | 67 Ų | 67 | 130.7 Ų | 130.7 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | | | trans | 125.2 | 96 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 71 | A | 35.3 | Very low | 37.7 | Very low | 88 Ų | 88 | 130.5 Ų | 130.5 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | cis | 64.5 | 122.9 | 40.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 72 | D | 38.3 | Very low | 38 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | | | cis | -147.2 | -141.8 | -15.5 | -87.7 | -52.2 | 0 | 0 | 0 | 108.8 | | |
| 73 | P | 51.3 | Low | 38.3 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | | | | -121.2 | 178.8 | -105.2 | 39.1 | -22.6 | 0 | 0 | 0 | 118.1 | | |
| 74 | V | 37.1 | Very low | 39.2 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | | | trans | -35.8 | 172.4 | 169.7 | -81.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 75 | P | 46.6 | Very low | 39.6 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | cis | -139.6 | 168.1 | -24.4 | 34.2 | -16.6 | 0 | 0 | 0 | 115.3 | | |
| 76 | S | 33.8 | Very low | 39.9 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | -172 | 158.2 | 140 | -95.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 77 | Y | 38.9 | Very low | 40.1 | Very low | 219 Ų | 219 | 133.4 Ų | 133.4 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | | | trans | -40.6 | 137.5 | 175 | -57.6 | -98.5 | 0 | 0 | 0 | 116.9 | | |
| 78 | N | 34.2 | Very low | 40 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | | -160.5 | 170.9 | 109.7 | -133.2 | -17.8 | 0 | 0 | 0 | 114 | | |
| 79 | H | 32.7 | Very low | 39.6 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 70% | 0.704 | 80% | 0.798 | S | S | * | * | | | trans | -128.8 | 138.3 | -176.2 | 52.5 | -85 | 0 | 0 | 0 | 111.4 | | |
| 80 | S | 34.3 | Very low | 39.3 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | trans | -179.2 | 155.8 | 152.9 | -88.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 81 | P | 48.7 | Very low | 39.6 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | trans | -95.8 | 168.8 | -175.8 | 38.5 | -36.3 | 0 | 0 | 0 | 114.1 | | |
| 82 | V | 39.2 | Very low | 40.4 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | | | trans | -129.7 | 127.6 | 168.6 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 83 | S | 37.7 | Very low | 41.1 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 154.6 | -178.9 | -56.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 84 | P | 51.3 | Low | 40.6 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 154.9 | 174.1 | 30.3 | -35.8 | 0 | 0 | 0 | 112.6 | | |
| 85 | R | 38.8 | Very low | 40.7 | Very low | 219 Ų | 219 | 141.6 Ų | 141.6 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 166.2 | 174.9 | -70 | -175.8 | 176.6 | -178.2 | -0.6 | 112 | | |
| 86 | F | 45.1 | Very low | 40.2 | Very low | 190 Ų | 190 | 142 Ų | 142 | 83% | 0.833 | 81% | 0.813 | S | S | * | * | | | trans | 84 | 94.6 | 170.7 | -51.2 | -67.9 | 0 | 0 | 0 | 116.8 | | |
| 87 | S | 37.2 | Very low | 40.2 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 153.4 | 164.4 | -51.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 88 | F | 38.3 | Very low | 39.9 | Very low | 200 Ų | 200 | 136.7 Ų | 136.7 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 159.9 | 170.3 | -67.1 | -81.2 | 0 | 0 | 0 | 111.8 | | |
| 89 | S | 32.7 | Very low | 39.9 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 152.7 | -172.6 | -165.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 90 | T | 40.7 | Very low | 40.1 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 80% | 0.798 | 82% | 0.822 | S | S | * | * | | | trans | -119.7 | 144.5 | -178.2 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 91 | S | 39.3 | Very low | 40.1 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 150.8 | -177.9 | -51.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 92 | P | 51.8 | Low | 39.4 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 149.5 | -178.4 | 33.9 | -35.8 | 0 | 0 | 0 | 113.9 | | |
| 93 | P | 52.3 | Low | 39 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 159.3 | 166.4 | 38.2 | -32.5 | 0 | 0 | 0 | 112.6 | | |
| 94 | L | 41.4 | Very low | 38.7 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 93% | 0.927 | 82% | 0.821 | S | S | * | * | | | trans | -148.9 | 154.6 | 160.5 | -89.4 | 115.1 | 0 | 0 | 0 | 110.3 | | |
| 95 | S | 38.7 | Very low | 38 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | | | trans | -148.6 | 134.4 | 177.6 | -173 | 0 | 0 | 0 | 0 | 112.5 | | |
| 96 | S | 36.4 | Very low | 37.7 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | | | trans | 44.8 | 120.9 | 153.5 | -48.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 97 | G | 34 | Very low | 37.2 | Very low | 72 Ų | 72 | 136.2 Ų | 136.2 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | | | trans | -176.8 | 86.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 98 | V | 33 | Very low | 37.5 | Very low | 147 Ų | 147 | 136 Ų | 136 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | | | trans | 67.3 | 110.7 | 148.9 | -174.4 | 0 | 0 | 0 | 0 | 121.3 | | |
| 99 | A | 33.5 | Very low | 37.1 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | | | trans | 46.4 | 121 | 139.4 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 100 | T | 37 | Very low | 38 | Very low | 157 Ų | 157 | 131.2 Ų | 131.2 | 96% | 0.963 | 80% | 0.803 | S | S | * | * | | | | -150.1 | 161.4 | 123 | 3.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 101 | A | 34.8 | Very low | 37.9 | Very low | 82 Ų | 82 | 132.6 Ų | 132.6 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | | | trans | -120 | 150.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 102 | R | 35.2 | Very low | 37.9 | Very low | 232 Ų | 232 | 133.1 Ų | 133.1 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | | | | 175.6 | 145.1 | 126.2 | -88.6 | 145.1 | -155.2 | -179.4 | 6.1 | 111.7 | | |
| 103 | E | 30.7 | Very low | 37.2 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | 44.6 | 116.8 | 157 | -62.3 | 170.9 | 153 | 0 | 0 | 119.1 | | |
| 104 | A | 31.4 | Very low | 36.3 | Very low | 90 Ų | 90 | 134 Ų | 134 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | | | cis | 93.9 | 93.2 | 33.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 105 | V | 36.3 | Very low | 35.9 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | trans | -135.9 | 117.4 | 142.6 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 106 | S | 32.6 | Very low | 35.9 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | -120 | 131.4 | 176.3 | -64.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 107 | Y | 34.2 | Very low | 35.7 | Very low | 232 Ų | 232 | 129.6 Ų | 129.6 | 91% | 0.91 | 79% | 0.785 | S | S | * | * | | | trans | -113.7 | 114.5 | 161.5 | -112.9 | -86.3 | 0 | 0 | 0 | 108.7 | | |
| 108 | T | 43.1 | Very low | 35.6 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | | | trans | -120.4 | 155.2 | 174.3 | 52.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 109 | S | 30.3 | Very low | 35.9 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | -153.1 | 149.5 | 160.6 | -81.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 110 | P | 50.4 | Low | 36.1 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | | | trans | -131.6 | 143.4 | -153.7 | 33.9 | -13.6 | 0 | 0 | 0 | 116.4 | | |
| 111 | L | 40 | Very low | 36.2 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | 63.7 | 165.8 | 148.6 | -56.5 | 171.5 | 0 | 0 | 0 | 116.5 | | |
| 112 | N | 37.8 | Very low | 36.2 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | cis | -156.7 | 161.9 | 3.5 | -144.7 | -5.8 | 0 | 0 | 0 | 112.3 | | |
| 113 | I | 37.2 | Very low | 37.3 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | | | trans | 61.5 | 138.5 | 148.6 | -79.2 | 165.6 | 0 | 0 | 0 | 117.4 | | |
| 114 | S | 33.3 | Very low | 37.7 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | cis | -152.3 | -171.1 | 13.1 | -142.1 | 0 | 0 | 0 | 0 | 109 | | |
| 115 | A | 34.9 | Very low | 37.8 | Very low | 70 Ų | 70 | 139 Ų | 139 | 58% | 0.579 | 77% | 0.774 | S | S | * | * | | | cis | -155.6 | 178.1 | 0.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 116 | N | 38.4 | Very low | 38.2 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | | | trans | 49.9 | 126.1 | 157.7 | -58.6 | -9.3 | 0 | 0 | 0 | 119.4 | | |
| 117 | G | 32.2 | Very low | 38.3 | Very low | 76 Ų | 76 | 139.9 Ų | 139.9 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | | | cis | 156 | 145 | -9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 118 | R | 31.7 | Very low | 38.2 | Very low | 220 Ų | 220 | 132.5 Ų | 132.5 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | | | trans | 82.7 | 94.5 | 158.8 | -155.4 | 171.9 | -164.3 | 148.4 | 3.9 | 120.1 | | |
| 119 | E | 38.2 | Very low | 38 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 65% | 0.654 | 78% | 0.783 | S | S | * | * | | | | 35 | 128.7 | 124.2 | -51.3 | -53.2 | 105.9 | 0 | 0 | 121.4 | | |
| 120 | H | 38.8 | Very low | 38.5 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 73% | 0.731 | 79% | 0.785 | S | S | * | * | | | | 172.1 | 160.7 | 101.2 | -82.1 | -57.6 | 0 | 0 | 0 | 113.8 | | |
| 121 | Y | 37.9 | Very low | 38.4 | Very low | 219 Ų | 219 | 137.9 Ų | 137.9 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | | | trans | -58.1 | 158.6 | -167.5 | -76.4 | -120.1 | 0 | 0 | 0 | 118.6 | | |
| 122 | G | 36.5 | Very low | 38.3 | Very low | 67 Ų | 67 | 135.2 Ų | 135.2 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | trans | -94 | -149.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 123 | P | 57.8 | Low | 39 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | | | cis | -139.4 | -168 | -4.1 | 43.3 | -24.6 | 0 | 0 | 0 | 115.4 | | |
| 124 | R | 38.7 | Very low | 38.9 | Very low | 251 Ų | 251 | 139 Ų | 139 | 95% | 0.947 | 80% | 0.798 | S | S | * | * | | | trans | 74.5 | 149.2 | 164.7 | -68.4 | 178.2 | 174.5 | -101.2 | 1.9 | 119.9 | | |
| 125 | G | 33.6 | Very low | 39.3 | Very low | 77 Ų | 77 | 138.7 Ų | 138.7 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | 168.1 | 135.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 126 | L | 43.8 | Very low | 39.4 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 95% | 0.948 | 81% | 0.809 | S | S | * | * | | | trans | -140.5 | 128.1 | 179.5 | -97.1 | 170.1 | 0 | 0 | 0 | 110.8 | | |
| 127 | G | 34.7 | Very low | 39.6 | Very low | 86 Ų | 86 | 142 Ų | 142 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | | | trans | 67.2 | 127.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 128 | G | 32.8 | Very low | 40 | Very low | 77 Ų | 77 | 145.3 Ų | 145.3 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | 169.3 | 149.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 129 | S | 40.1 | Very low | 40.1 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -141.7 | 176 | -166.5 | -59.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 130 | Y | 39 | Very low | 41 | Very low | 224 Ų | 224 | 139.6 Ų | 139.6 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | | | trans | 77.4 | 157.4 | 173.5 | -82.7 | -104.9 | 0 | 0 | 0 | 117.6 | | |
| 131 | P | 48.1 | Very low | 40.9 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | cis | -115.1 | 170.2 | -8.6 | 11.2 | 12.6 | 0 | 0 | 0 | 114.4 | | |
| 132 | S | 39.4 | Very low | 41.1 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | | | trans | -134.2 | 134.2 | 156.4 | -180 | 0 | 0 | 0 | 0 | 109.3 | Y134 | S132-Y134 PolarHBondContact O-N 3.25Š|
| 133 | P | 51.4 | Low | 41.1 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | | | trans | -82.2 | 114.4 | -179.1 | 31.3 | -32 | 0 | 0 | 0 | 112.6 | | |
| 134 | Y | 35.8 | Very low | 39.9 | Very low | 219 Ų | 219 | 133.3 Ų | 133.3 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | | | trans | -9.6 | 150.7 | 154.1 | -97.9 | -117 | 0 | 0 | 0 | 119.2 | S132 | S132-Y134 PolarHBondContact O-N 3.25Š|
| 135 | S | 41.4 | Very low | 39.9 | Very low | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | | | cis | -148.3 | 154.1 | 21.7 | -43.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 136 | A | 37.1 | Very low | 40.5 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | | | trans | -88.5 | 154.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 137 | Y | 42.1 | Very low | 40.7 | Very low | 204 Ų | 204 | 133.6 Ų | 133.6 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | | | trans | -120.8 | 116.4 | 175.2 | -167.3 | -96.9 | 0 | 0 | 0 | 111.5 | | |
| 138 | M | 41.7 | Very low | 41.1 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | | | trans | 66.4 | 146.6 | 175.6 | -64.6 | -62.8 | 142.1 | 0 | 0 | 118.1 | | |
| 139 | S | 33.9 | Very low | 41.4 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | trans | -117.5 | -149.1 | -173.3 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 140 | P | 57.5 | Low | 41.9 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | | | | -118.6 | 138 | -107.8 | 34.9 | -18.7 | 0 | 0 | 0 | 113.8 | | |
| 141 | N | 35.5 | Very low | 41.7 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | | | trans | -158.2 | 155.4 | 159.9 | -150.1 | -0.3 | 0 | 0 | 0 | 113.8 | | |
| 142 | V | 42.8 | Very low | 41.2 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | | | trans | 51 | 141.3 | 169.7 | -60.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 143 | G | 35.4 | Very low | 40.9 | Very low | 84 Ų | 84 | 137.6 Ų | 137.6 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | | | trans | -101.2 | 161.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 144 | G | 33.8 | Very low | 41 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | | | trans | -176.5 | 135.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 145 | T | 38 | Very low | 41.4 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | | | trans | 38.6 | 129.3 | 149.5 | 38.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 146 | W | 47 | Very low | 41.6 | Very low | 246 Ų | 246 | 136.1 Ų | 136.1 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | | | trans | -59.1 | 143.1 | 159.9 | -63.1 | 82.1 | 0 | 0 | 0 | 111.9 | A148 | W146-A148 PolarHBondContact O-N 3.04Š|
| 147 | P | 48 | Very low | 41.9 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | | | trans | -76.8 | 114.4 | 173.1 | 30.4 | -32.7 | 0 | 0 | 0 | 111.3 | | |
| 148 | A | 42.3 | Very low | 41.6 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 150 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | W146 | W146-A148 PolarHBondContact O-N 3.04Š|
| 149 | S | 38.6 | Very low | 41.5 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 143.6 | -177.5 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 150 | P | 50.8 | Low | 41.9 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 74% | 0.74 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 131.3 | -178.8 | 32.2 | -34.3 | 0 | 0 | 0 | 112.8 | | |
| 151 | F | 35.8 | Very low | 41.1 | Very low | 213 Ų | 213 | 139.2 Ų | 139.2 | 93% | 0.934 | 83% | 0.827 | S | S | * | * | | | trans | -152.8 | 131.3 | 151.2 | -98.9 | -72 | 0 | 0 | 0 | 109.2 | | |
| 152 | D | 36.7 | Very low | 41 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 79% | 0.786 | 83% | 0.831 | S | S | * | * | | | trans | -76.3 | 145.8 | -169.6 | -77 | -96.6 | 0 | 0 | 0 | 115.8 | | |
| 153 | S | 32.8 | Very low | 40.8 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | | | trans | -168.1 | 108.4 | 141.9 | -83.1 | 0 | 0 | 0 | 0 | 111 | | |
| 154 | P | 53.2 | Low | 41 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 83% | 0.832 | S | S | * | * | | | trans | -104.9 | 122.2 | -175.8 | 35.4 | -29.6 | 0 | 0 | 0 | 114 | | |
| 155 | V | 44.3 | Very low | 41.8 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 83% | 0.83 | 84% | 0.839 | S | S | * | * | | | trans | -146.7 | 146.3 | 158.4 | -148.9 | 0 | 0 | 0 | 0 | 111 | | |
| 156 | L | 46.2 | Very low | 42.1 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 86% | 0.859 | 83% | 0.834 | S | S | * | * | | | trans | 72.8 | 84.7 | 170.3 | -53.9 | -175.8 | 0 | 0 | 0 | 118.2 | | |
| 157 | H | 44.4 | Very low | 41.8 | Very low | 196 Ų | 196 | 130.5 Ų | 130.5 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | | | trans | -60.8 | 149.6 | 143.9 | -86.2 | -120.1 | 0 | 0 | 0 | 110.8 | | |
| 158 | G | 35.2 | Very low | 41.9 | Very low | 78 Ų | 78 | 130.5 Ų | 130.5 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | | | trans | -151.8 | 31 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 159 | L | 38.9 | Very low | 41.9 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 83% | 0.827 | 83% | 0.827 | S | S | * | * | | | trans | 34.2 | 112.9 | 167.6 | -72.8 | 170.4 | 0 | 0 | 0 | 120.8 | | |
| 160 | Q | 43.4 | Very low | 41.9 | Very low | 192 Ų | 192 | 139.4 Ų | 139.4 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | | | trans | -54.6 | 133 | 158.3 | 173.2 | -179.6 | 53.1 | 0 | 0 | 113.1 | | |
| 161 | T | 39.6 | Very low | 41.9 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | | | trans | -146.5 | 149.4 | 167.3 | 46.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 162 | G | 33.3 | Very low | 42.3 | Very low | 85 Ų | 85 | 134.2 Ų | 134.2 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | | | trans | 69.9 | 100.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 163 | A | 39.6 | Very low | 43.1 | Very low | 99 Ų | 99 | 134 Ų | 134 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -107.3 | 132.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 164 | S | 39.8 | Very low | 43.8 | Very low | 123 Ų | 123 | 134 Ų | 134 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -161.1 | 154.6 | 159.3 | -87.8 | 0 | 0 | 0 | 0 | 111 | | |
| 165 | P | 50.8 | Low | 43.7 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | | | trans | -94.7 | 162.2 | -161.5 | 37.1 | -36.4 | 0 | 0 | 0 | 113.8 | | |
| 166 | G | 43.9 | Very low | 43.8 | Very low | 74 Ų | 74 | 136.9 Ų | 136.9 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | trans | 127.1 | 70.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 167 | T | 41.2 | Very low | 43.9 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -156.5 | 120.6 | 148 | -72 | 0 | 0 | 0 | 0 | 108.4 | R169 | T167-R169 VanDerWaalsContact C-N 3.31Å; T167-R169 PolarHBondContact O-N 3.36Å |
| 168 | T | 48.6 | Very low | 44.1 | Very low | 129 Ų | 129 | 130 Ų | 130 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | trans | -71 | 84.2 | 177.7 | -47.1 | 0 | 0 | 0 | 0 | 110.1 | H170 | T168-H170 PolarHBondContact O-N 3.39Š|
| 169 | R | 42.8 | Very low | 44.8 | Very low | 228 Ų | 228 | 133.9 Ų | 133.9 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | trans | -66.9 | 105.6 | 171.6 | -74.8 | -169.3 | 175.8 | -167.4 | -0.5 | 108.9 | T167 | T167-R169 VanDerWaalsContact C-N 3.31Å; T167-R169 PolarHBondContact O-N 3.36Å |
| 170 | H | 39.7 | Very low | 45.9 | Very low | 168 Ų | 168 | 128.6 Ų | 128.6 | 78% | 0.778 | 74% | 0.736 | S | S | * | * | | | trans | -49.8 | 131.9 | 165.2 | -75.1 | -120 | 0 | 0 | 0 | 108.8 | T168 N172 | T168-H170 PolarHBondContact O-N 3.39Å; H170-N172 PolarHBondContact O-N 3.14Å; H170-N172 VanDerWaalsContact O-N 3.1Å |
| 171 | P | 49.2 | Very low | 46.8 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 76% | 0.76 | 71% | 0.705 | S | S | * | * | | | trans | -63 | 116.9 | 172.3 | 26.5 | -32.3 | 0 | 0 | 0 | 108 | I173 | P171-I173 PolarHBondContact O-N 3.11Å; P171-I173 VanDerWaalsContact O-N 3.16Å |
| 172 | N | 45.1 | Very low | 48.5 | Very low | 101 Ų | 101 | 118.8 Ų | 118.8 | 54% | 0.54 | 70% | 0.699 | S | S | . | * | | | trans | -67.8 | 114.3 | -178.4 | -178.5 | -85.4 | 0 | 0 | 0 | 109.3 | H170 D174 L175 | H170-N172 PolarHBondContact O-N 3.14Å; H170-N172 VanDerWaalsContact O-N 3.1Å; N172-D174 PolarHBondContact ND2-OD2 2.85Å; N172-D174 PolarHBondContact OD1-N 3.02Å; N172-L175 VanDerWaalsContact OD1-CB 3.22Å; N172-L175 WeakPolarHBondContact OD1-CB 3.38Å; N172-L175 PolarHBondContact OD1-N 3.26Å |
| 173 | I | 52.5 | Low | 51 | Low | 142 Ų | 142 | 119.2 Ų | 119.2 | 73% | 0.728 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -80.5 | -32.2 | -176.1 | -32.1 | 179.1 | 0 | 0 | 0 | 110.2 | P171 L175 F176 | P171-I173 PolarHBondContact O-N 3.11Å; P171-I173 VanDerWaalsContact O-N 3.16Å; I173-L175 PolarHBondContact O-N 2.95Å; I173-F176 PolarHBondContact O-N 3.48Å |
| 174 | D | 47.5 | Very low | 53.5 | Low | 122 Ų | 122 | 117.3 Ų | 117.3 | 65% | 0.652 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63 | -35.9 | -174.9 | -46 | -94.6 | 0 | 0 | 0 | 113.2 | N172 F176 D177 | N172-D174 PolarHBondContact ND2-OD2 2.85Å; N172-D174 PolarHBondContact OD1-N 3.02Å; D174-F176 PolarHBondContact O-N 3.29Å; D174-D177 WeakPolarHBondContact O-CB 3.36Å; D174-D177 PolarHBondContact O-N 3.44Å; D174-D177 VanDerWaalsContact O-N 3.16Å |
| 175 | L | 51.1 | Low | 56.1 | Low | 129 Ų | 129 | 111.5 Ų | 111.5 | 68% | 0.675 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.3 | -16.6 | -177.8 | -167.1 | 64.5 | 0 | 0 | 0 | 113.3 | N172 I173 | N172-L175 VanDerWaalsContact OD1-CB 3.22Å; N172-L175 WeakPolarHBondContact OD1-CB 3.38Å; N172-L175 PolarHBondContact OD1-N 3.26Å; I173-L175 PolarHBondContact O-N 2.95Å |
| 176 | F | 46.9 | Very low | 58 | Low | 184 Ų | 184 | 108.5 Ų | 108.5 | 81% | 0.807 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -88.2 | -22.5 | 173.9 | -134.3 | -90.8 | 0 | 0 | 0 | 112.7 | I173 D174 | I173-F176 PolarHBondContact O-N 3.48Å; D174-F176 PolarHBondContact O-N 3.29Å |
| 177 | D | 48.6 | Very low | 60.2 | Low | 93 Ų | 93 | 106.9 Ų | 106.9 | 50% | 0.497 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.7 | -40 | -179.7 | -154.7 | -119 | 0 | 0 | 0 | 111.4 | D174 F179 A180 E181 | D174-D177 WeakPolarHBondContact O-CB 3.36Å; D174-D177 PolarHBondContact O-N 3.44Å; D174-D177 VanDerWaalsContact O-N 3.16Å; D177-F179 PolarHBondContact O-N 3.43Å; D177-F179 VanDerWaalsContact O-N 3.1Å; D177-A180 WeakPolarHBondContact O-CA 3.47Å; D177-A180 WeakPolarHBondContact O-CB 3.5Å; D177-A180 PolarHBondContact O-N 3.23Å; D177-E181 WeakPolarHBondContact O-CG 3.38Å; D177-E181 PolarHBondContact O-N 2.89Å; D177-E181 WeakPolarHBondContact OD1-CG 3.38Å |
| 178 | D | 49.1 | Very low | 62.5 | Low | 121 Ų | 121 | 101.9 Ų | 101.9 | 65% | 0.647 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -56 | -34.3 | -176.9 | -158.2 | -104.5 | 0 | 0 | 0 | 113.3 | A180 E181 G182 | D178-A180 VanDerWaalsContact C-N 3.34Å; D178-A180 PolarHBondContact O-N 3.47Å; D178-E181 PolarHBondContact O-N 2.99Å; D178-G182 PolarHBondContact O-N 3.45Å |
| 179 | F | 50.3 | Low | 64.4 | Low | 161 Ų | 161 | 95.9 Ų | 95.9 | 71% | 0.706 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71.9 | -21.2 | 174.2 | -86.4 | -86 | 0 | 0 | 0 | 114.3 | D177 R183 | D177-F179 PolarHBondContact O-N 3.43Å; D177-F179 VanDerWaalsContact O-N 3.1Å; F179-R183 PolarHBondContact O-NE 3.01Å; F179-R183 PolarHBondContact O-NH2 3.29Å |
| 180 | A | 60.3 | Low | 66.7 | Low | 47 Ų | 47 | 86.3 Ų | 86.3 | 39% | 0.388 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -80.4 | -46.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D177 D178 G182 R183 | D177-A180 WeakPolarHBondContact O-CA 3.47Å; D177-A180 WeakPolarHBondContact O-CB 3.5Å; D177-A180 PolarHBondContact O-N 3.23Å; D178-A180 VanDerWaalsContact C-N 3.34Å; D178-A180 PolarHBondContact O-N 3.47Å; A180-G182 VanDerWaalsContact C-N 3.26Å; A180-G182 PolarHBondContact O-N 3.27Å; A180-G182 VanDerWaalsContact O-N 3.13Å; A180-R183 PolarHBondContact O-N 2.94Å; A180-R183 VanDerWaalsContact O-N 3.12Å |
| 181 | E | 63.5 | Low | 69 | Low | 51 Ų | 51 | 80.2 Ų | 80.2 | 24% | 0.238 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.3 | -25.9 | -169.6 | -69.5 | -59.8 | -73.4 | 0 | 0 | 115.3 | D177 D178 R183 M191 R233 | D177-E181 WeakPolarHBondContact O-CG 3.38Å; D177-E181 PolarHBondContact O-N 2.89Å; D177-E181 WeakPolarHBondContact OD1-CG 3.38Å; D178-E181 PolarHBondContact O-N 2.99Å; E181-R183 VanDerWaalsContact C-N 3.29Å; E181-R183 PolarHBondContact O-N 3.31Å; E181-M191 WeakPolarHBondContact OE1-CE 3.48Å; E181-M191 WeakPolarHBondContact OE2-CE 3.33Å; E181-R233 IonicContact OE1-CZ 3.03Å; E181-R233 IonicContact OE1-NH1 2.67Å; E181-R233 PolarHBondContact OE1-NH1 3.11Å; E181-R233 IonicContact OE1-NH2 2.66Å; E181-R233 PolarHBondContact OE1-NH2 3.42Å |
| 182 | G | 74.4 | Confident | 70.9 | Confident | 66 Ų | 66 | 79.6 Ų | 79.6 | 68% | 0.68 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -10.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116 | D178 A180 | D178-G182 PolarHBondContact O-N 3.45Å; A180-G182 VanDerWaalsContact C-N 3.26Å; A180-G182 PolarHBondContact O-N 3.27Å; A180-G182 VanDerWaalsContact O-N 3.13Å |
| 183 | R | 86.9 | Confident | 73.1 | Confident | 94 Ų | 94 | 76.3 Ų | 76.3 | 36% | 0.355 | 42% | 0.418 | S | S | . | . | | | trans | -111 | 102.6 | -174.9 | -76.9 | 174.2 | -78.4 | -156 | -2 | 112.3 | F179 A180 E181 W196 Y204 | F179-R183 PolarHBondContact O-NE 3.01Å; F179-R183 PolarHBondContact O-NH2 3.29Å; A180-R183 PolarHBondContact O-N 2.94Å; A180-R183 VanDerWaalsContact O-N 3.12Å; E181-R183 VanDerWaalsContact C-N 3.29Å; E181-R183 PolarHBondContact O-N 3.31Å; R183-W196 HydrophobicContact CB-CH2 4.15Å; R183-W196 HydrophobicContact CB-CZ2 3.65Å; R183-W196 WeakPolarHBondContact O-CH2 3.32Å; R183-W196 WeakPolarHBondContact O-CZ2 3.27Å; R183-Y204 HydrophobicContact CG-CD1 4.33Å; R183-Y204 HydrophobicContact CG-CD2 4.44Å; R183-Y204 HydrophobicContact CG-CE1 4.2Å; R183-Y204 HydrophobicContact CG-CE2 4.32Å; R183-Y204 HydrophobicContact CG-CG 4.45Å |
| 184 | E | 91.9 | Very high | 74.9 | Confident | 60 Ų | 60 | 75.5 Ų | 75.5 | 28% | 0.28 | 42% | 0.422 | S | S | . | . | | | trans | -111.6 | 143.1 | 168 | 51.7 | 160.1 | -145 | 0 | 0 | 112.2 | V186 A190 M191 R228 | E184-V186 PolarHBondContact O-N 3.13Å; E184-A190 WeakPolarHBondContact CA-O 3.33Å; E184-M191 HydrophobicContact CB-CG 4.43Å; E184-R228 IonicContact OE1-CZ 3.11Å; E184-R228 IonicContact OE1-NH1 2.7Å; E184-R228 PolarHBondContact OE1-NH1 3.36Å; E184-R228 IonicContact OE1-NH2 2.7Å; E184-R228 PolarHBondContact OE1-NH2 3.32Å; E184-R228 IonicContact OE2-CZ 3.38Å; E184-R228 IonicContact OE2-NH1 2.75Å; E184-R228 PolarHBondContact OE2-NH1 3.47Å; E184-R228 IonicContact OE2-NH2 3.64Å |
| 185 | C | 92.9 | Very high | 77.1 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 41% | 0.412 | C | S | . | . | | | trans | -67.9 | 118.3 | 173 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | N187 C188 G189 A190 W196 Y204 C206 | C185-N187 PolarHBondContact O-N 2.92Å; C185-N187 VanDerWaalsContact O-N 3.15Å; C185-C188 PolarHBondContact O-N 2.66Å; C185-G189 WeakPolarHBondContact O-CA 3.5Å; C185-G189 PolarHBondContact O-N 2.99Å; C185-A190 HydrophobicContact CB-CB 4.31Å; C185-A190 PolarHBondContact N-O 3.21Å; C185-W196 HydrophobicContact CB-CZ3 4.14Å; C185-Y204 WeakPolarHBondContact CA-O 3.42Å; C185-C206 HydrophobicContact CB-CB 3.89Å; C185-C206 PolarHBondContact SG-N 2.91Å; C185-C206 VanDerWaalsContact SG-SG 3.6Å |
| 186 | V | 91.7 | Very high | 79.1 | Confident | 69 Ų | 69 | 70.9 Ų | 70.9 | 42% | 0.418 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -32.9 | -174.5 | -63 | 0 | 0 | 0 | 0 | 113.7 | E184 H203 Y204 L205 | E184-V186 PolarHBondContact O-N 3.13Å; V186-H203 HydrophobicContact CG1-CB 3.97Å; V186-H203 HydrophobicContact CG2-CB 3.91Å; V186-Y204 PolarHBondContact N-O 3.15Å; V186-L205 HydrophobicContact CG2-CD2 3.67Å; V186-L205 HydrophobicContact CG2-CG 4.46Å |
| 187 | N | 90.4 | Very high | 81.4 | Confident | 39 Ų | 39 | 66.3 Ų | 66.3 | 21% | 0.209 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -34.2 | 179.8 | -176.8 | 52 | 0 | 0 | 0 | 113.9 | C185 L205 C209 N219 R220 | C185-N187 PolarHBondContact O-N 2.92Å; C185-N187 VanDerWaalsContact O-N 3.15Å; N187-L205 HydrophobicContact CB-CD2 4.05Å; N187-C209 HydrophobicContact CB-CB 4.34Å; N187-C209 PolarHBondContact ND2-SG 3.01Å; N187-C209 VanDerWaalsContact ND2-SG 3.43Å; N187-N219 WeakPolarHBondContact OD1-CB 3.49Å; N187-N219 PolarHBondContact OD1-OD1 3.5Å; N187-R220 WeakPolarHBondContact ND2-CB 3.43Å; N187-R220 PolarHBondContact ND2-N 3.37Å; N187-R220 PolarHBondContact ND2-O 3.2Å |
| 188 | C | 89.6 | Confident | 83.6 | Confident | 18 Ų | 18 | 69.1 Ų | 69.1 | 12% | 0.122 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | 2.1 | -170.4 | 83.7 | 0 | 0 | 0 | 0 | 116.9 | C185 A190 C209 L222 Q226 | C185-C188 PolarHBondContact O-N 2.66Å; C188-A190 PolarHBondContact O-N 2.9Å; C188-A190 VanDerWaalsContact O-N 3.11Å; C188-A190 VanDerWaalsContact SG-CB 3.57Å; C188-C209 VanDerWaalsContact SG-SG 3.68Å; C188-L222 HydrophobicContact CB-CD1 3.86Å; C188-L222 HydrophobicContact CB-CD2 4.09Å; C188-L222 HydrophobicContact CB-CG 4.41Å; C188-Q226 WeakPolarHBondContact O-CG 3.41Å |
| 189 | G | 88.8 | Confident | 85.4 | Confident | 3 Ų | 3 | 65.5 Ų | 65.5 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | | | trans | 64.3 | 14 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | C185 M191 | C185-G189 WeakPolarHBondContact O-CA 3.5Å; C185-G189 PolarHBondContact O-N 2.99Å; G189-M191 PolarHBondContact O-N 3.36Å |
| 190 | A | 89.4 | Confident | 87.2 | Confident | 28 Ų | 28 | 62.3 Ų | 62.3 | 23% | 0.231 | 37% | 0.366 | C | S | . | . | | | trans | -72.2 | 126 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | E184 C185 C188 W196 | E184-A190 WeakPolarHBondContact CA-O 3.33Å; C185-A190 HydrophobicContact CB-CB 4.31Å; C185-A190 PolarHBondContact N-O 3.21Å; C188-A190 PolarHBondContact O-N 2.9Å; C188-A190 VanDerWaalsContact O-N 3.11Å; C188-A190 VanDerWaalsContact SG-CB 3.57Å; A190-W196 WeakPolarHBondContact O-CH2 3.47Å |
| 191 | M | 89.7 | Confident | 88.7 | Confident | 40 Ų | 40 | 65.2 Ų | 65.2 | 20% | 0.197 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -89.4 | -20.8 | 176.8 | -69.4 | 164.2 | 53.8 | 0 | 0 | 112.6 | E181 E184 G189 W196 L229 | E181-M191 WeakPolarHBondContact OE1-CE 3.48Å; E181-M191 WeakPolarHBondContact OE2-CE 3.33Å; E184-M191 HydrophobicContact CB-CG 4.43Å; G189-M191 PolarHBondContact O-N 3.36Å; M191-W196 WeakPolarHBondContact O-CZ2 3.41Å; M191-L229 HydrophobicContact SD-CB 3.63Å; M191-L229 HydrophobicContact SD-CD1 3.65Å; M191-L229 HydrophobicContact SD-CG 4.25Å |
| 192 | S | 88.4 | Confident | 89.9 | Confident | 103 Ų | 103 | 64.3 Ų | 64.3 | 72% | 0.72 | 38% | 0.384 | S | S | * | . | | | trans | -117.4 | 148 | 172.9 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 193 | T | 91.1 | Very high | 90.8 | Very high | 32 Ų | 32 | 65.6 Ų | 65.6 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | | | trans | -162.1 | 144.2 | 177.7 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | L195 W196 C206 N207 | T193-L195 WeakPolarHBondContact CG2-O 3.31Å; T193-L195 PolarHBondContact O-N 3.24Å; T193-L195 PolarHBondContact OG1-O 2.94Å; T193-W196 HydrophobicContact CG2-CD2 3.4Å; T193-W196 VanDerWaalsContact CG2-CD2 3.4Å; T193-W196 VanDerWaalsContact CG2-CE2 3.43Å; T193-W196 HydrophobicContact CG2-CE3 3.76Å; T193-W196 HydrophobicContact CG2-CG 3.79Å; T193-W196 HydrophobicContact CG2-CH2 4.12Å; T193-W196 HydrophobicContact CG2-CZ2 3.8Å; T193-W196 HydrophobicContact CG2-CZ3 4.11Å; T193-C206 HydrophobicContact CG2-CB 4.16Å; T193-C206 WeakPolarHBondContact OG1-CB 3.49Å; T193-N207 PolarHBondContact OG1-N 2.81Å |
| 194 | P | 90.4 | Very high | 91.2 | Very high | 126 Ų | 126 | 64.9 Ų | 64.9 | 82% | 0.818 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -67.5 | -15.8 | 177.1 | 27.4 | -36.6 | 0 | 0 | 0 | 113.5 | N207 | P194-N207 HydrophobicContact CG-CB 4.42Š|
| 195 | L | 92.7 | Very high | 91.2 | Very high | 84 Ų | 84 | 62.4 Ų | 62.4 | 44% | 0.44 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -153.7 | 127.8 | 171.3 | 178.6 | 63 | 0 | 0 | 0 | 110 | T193 N207 | T193-L195 WeakPolarHBondContact CG2-O 3.31Å; T193-L195 PolarHBondContact O-N 3.24Å; T193-L195 PolarHBondContact OG1-O 2.94Å; L195-N207 HydrophobicContact CB-CB 4.13Å; L195-N207 WeakPolarHBondContact O-CB 3.28Å; L195-N207 PolarHBondContact O-N 3.49Å |
| 196 | W | 94.2 | Very high | 91.4 | Very high | 70 Ų | 70 | 62.7 Ų | 62.7 | 27% | 0.265 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 133.5 | 166.8 | -75.2 | 110.5 | 0 | 0 | 0 | 110.5 | R183 C185 A190 M191 T193 Y204 | R183-W196 HydrophobicContact CB-CH2 4.15Å; R183-W196 HydrophobicContact CB-CZ2 3.65Å; R183-W196 WeakPolarHBondContact O-CH2 3.32Å; R183-W196 WeakPolarHBondContact O-CZ2 3.27Å; C185-W196 HydrophobicContact CB-CZ3 4.14Å; A190-W196 WeakPolarHBondContact O-CH2 3.47Å; M191-W196 WeakPolarHBondContact O-CZ2 3.41Å; T193-W196 HydrophobicContact CG2-CD2 3.4Å; T193-W196 VanDerWaalsContact CG2-CD2 3.4Å; T193-W196 VanDerWaalsContact CG2-CE2 3.43Å; T193-W196 HydrophobicContact CG2-CE3 3.76Å; T193-W196 HydrophobicContact CG2-CG 3.79Å; T193-W196 HydrophobicContact CG2-CH2 4.12Å; T193-W196 HydrophobicContact CG2-CZ2 3.8Å; T193-W196 HydrophobicContact CG2-CZ3 4.11Å; W196-Y204 HydrophobicContact CE3-CD1 4.45Å |
| 197 | R | 94.5 | Very high | 91.5 | Very high | 88 Ų | 88 | 61.3 Ų | 61.3 | 33% | 0.332 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 155.8 | 171.3 | -64 | -177.9 | 179.2 | -80.9 | -2.7 | 109.1 | L205 N207 | R197-L205 HydrophobicContact CB-CB 4.47Å; R197-L205 PolarHBondContact N-O 3.29Å; R197-L205 PolarHBondContact O-N 2.87Å; R197-N207 VanDerWaalsContact CZ-OD1 3.28Å; R197-N207 PolarHBondContact NE-OD1 2.83Å; R197-N207 PolarHBondContact NH2-OD1 2.91Å |
| 198 | R | 94.4 | Very high | 91.7 | Very high | 151 Ų | 151 | 61.7 Ų | 61.7 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 148.1 | 165.7 | -64.3 | -174.2 | -174.5 | -79 | 0.3 | 110 | G202 H203 Y204 | R198-G202 PolarHBondContact NH1-O 2.95Å; R198-H203 VanDerWaalsContact CA-O 3.29Å; R198-H203 WeakPolarHBondContact CA-O 3.29Å; R198-Y204 VanDerWaalsContact NH1-CE1 3.29Å; R198-Y204 PolarHBondContact NH1-OH 3.27Å; R198-Y204 PolarHBondContact NH2-OH 3.32Å |
| 199 | D | 88.1 | Confident | 91.9 | Very high | 46 Ų | 46 | 60.9 Ų | 60.9 | 25% | 0.246 | 35% | 0.354 | C | S | . | . | | | trans | -82.5 | 175.4 | 159.9 | 65.7 | 24.2 | 0 | 0 | 0 | 110.8 | T201 G202 H203 L205 | D199-T201 PolarHBondContact O-N 3.43Å; D199-T201 VanDerWaalsContact O-N 3.13Å; D199-T201 VanDerWaalsContact OD1-CA 3.27Å; D199-T201 WeakPolarHBondContact OD1-CA 3.43Å; D199-T201 WeakPolarHBondContact OD1-CB 3.35Å; D199-T201 PolarHBondContact OD1-N 2.93Å; D199-T201 PolarHBondContact OD1-OG1 3.48Å; D199-T201 PolarHBondContact OD2-OG1 3.11Å; D199-G202 PolarHBondContact O-N 3.13Å; D199-G202 PolarHBondContact OD1-N 3.44Å; D199-H203 PolarHBondContact N-O 3.33Å; D199-H203 IonicContact OD1-CG 3.86Å; D199-H203 PolarHBondContact OD1-N 2.92Å; D199-H203 IonicContact OD1-ND1 3.36Å; D199-H203 PolarHBondContact OD1-ND1 3.49Å; D199-H203 WeakPolarHBondContact OD2-CB 3.21Å; D199-H203 IonicContact OD2-CG 3.53Å; D199-H203 IonicContact OD2-ND1 2.9Å; D199-H203 PolarHBondContact OD2-ND1 2.86Å; D199-L205 HydrophobicContact CB-CD1 4.11Å |
| 200 | G | 88.1 | Confident | 92.1 | Very high | 93 Ų | 93 | 61.2 Ų | 61.2 | 96% | 0.959 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -9.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 201 | T | 91.4 | Very high | 92.3 | Very high | 108 Ų | 108 | 64 Ų | 64 | 66% | 0.663 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 6.2 | 173.5 | 43.6 | 0 | 0 | 0 | 0 | 112.8 | D199 H203 | D199-T201 PolarHBondContact O-N 3.43Å; D199-T201 VanDerWaalsContact O-N 3.13Å; D199-T201 VanDerWaalsContact OD1-CA 3.27Å; D199-T201 WeakPolarHBondContact OD1-CA 3.43Å; D199-T201 WeakPolarHBondContact OD1-CB 3.35Å; D199-T201 PolarHBondContact OD1-N 2.93Å; D199-T201 PolarHBondContact OD1-OG1 3.48Å; D199-T201 PolarHBondContact OD2-OG1 3.11Å; T201-H203 PolarHBondContact OG1-CE1 2.97Å; T201-H203 VanDerWaalsContact OG1-CE1 3.31Å; T201-H203 PolarHBondContact OG1-ND1 3.29Å |
| 202 | G | 89.8 | Confident | 92.4 | Very high | 33 Ų | 33 | 64.9 Ų | 64.9 | 34% | 0.34 | 37% | 0.37 | S | S | . | . | | | trans | 86.8 | -6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | R198 D199 | R198-G202 PolarHBondContact NH1-O 2.95Å; D199-G202 PolarHBondContact O-N 3.13Å; D199-G202 PolarHBondContact OD1-N 3.44Å |
| 203 | H | 92.8 | Very high | 92.6 | Very high | 92 Ų | 92 | 63.6 Ų | 63.6 | 43% | 0.426 | 35% | 0.352 | S | S | . | . | | | trans | -66.2 | 145.9 | -176.2 | -54.8 | 108.3 | 0 | 0 | 0 | 112.5 | V186 R198 D199 T201 L205 | V186-H203 HydrophobicContact CG1-CB 3.97Å; V186-H203 HydrophobicContact CG2-CB 3.91Å; R198-H203 VanDerWaalsContact CA-O 3.29Å; R198-H203 WeakPolarHBondContact CA-O 3.29Å; D199-H203 PolarHBondContact N-O 3.33Å; D199-H203 IonicContact OD1-CG 3.86Å; D199-H203 PolarHBondContact OD1-N 2.92Å; D199-H203 IonicContact OD1-ND1 3.36Å; D199-H203 PolarHBondContact OD1-ND1 3.49Å; D199-H203 WeakPolarHBondContact OD2-CB 3.21Å; D199-H203 IonicContact OD2-CG 3.53Å; D199-H203 IonicContact OD2-ND1 2.9Å; D199-H203 PolarHBondContact OD2-ND1 2.86Å; T201-H203 PolarHBondContact OG1-CE1 2.97Å; T201-H203 VanDerWaalsContact OG1-CE1 3.31Å; T201-H203 PolarHBondContact OG1-ND1 3.29Å; H203-L205 PolarHBondContact O-N 3.38Å |
| 204 | Y | 94.2 | Very high | 92.6 | Very high | 79 Ų | 79 | 71 Ų | 71 | 31% | 0.31 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 125.2 | 175.6 | -63.3 | -76.7 | 0 | 0 | 0 | 112 | R183 C185 V186 W196 R198 | R183-Y204 HydrophobicContact CG-CD1 4.33Å; R183-Y204 HydrophobicContact CG-CD2 4.44Å; R183-Y204 HydrophobicContact CG-CE1 4.2Å; R183-Y204 HydrophobicContact CG-CE2 4.32Å; R183-Y204 HydrophobicContact CG-CG 4.45Å; C185-Y204 WeakPolarHBondContact CA-O 3.42Å; V186-Y204 PolarHBondContact N-O 3.15Å; W196-Y204 HydrophobicContact CE3-CD1 4.45Å; R198-Y204 VanDerWaalsContact NH1-CE1 3.29Å; R198-Y204 PolarHBondContact NH1-OH 3.27Å; R198-Y204 PolarHBondContact NH2-OH 3.32Å |
| 205 | L | 93.8 | Very high | 92.5 | Very high | 8 Ų | 8 | 72.1 Ų | 72.1 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 137.6 | 171.5 | -68.1 | 173.2 | 0 | 0 | 0 | 109.6 | V186 N187 R197 D199 H203 C209 | V186-L205 HydrophobicContact CG2-CD2 3.67Å; V186-L205 HydrophobicContact CG2-CG 4.46Å; N187-L205 HydrophobicContact CB-CD2 4.05Å; R197-L205 HydrophobicContact CB-CB 4.47Å; R197-L205 PolarHBondContact N-O 3.29Å; R197-L205 PolarHBondContact O-N 2.87Å; D199-L205 HydrophobicContact CB-CD1 4.11Å; H203-L205 PolarHBondContact O-N 3.38Å; L205-C209 HydrophobicContact CD2-CB 4.21Å |
| 206 | C | 95.2 | Very high | 92.5 | Very high | 7 Ų | 7 | 71.6 Ų | 71.6 | 5% | 0.047 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 155.7 | 168.1 | 70.4 | 0 | 0 | 0 | 0 | 110.5 | C185 T193 A208 C209 G210 | C185-C206 HydrophobicContact CB-CB 3.89Å; C185-C206 PolarHBondContact SG-N 2.91Å; C185-C206 VanDerWaalsContact SG-SG 3.6Å; T193-C206 HydrophobicContact CG2-CB 4.16Å; T193-C206 WeakPolarHBondContact OG1-CB 3.49Å; C206-A208 PolarHBondContact O-N 3.2Å; C206-A208 VanDerWaalsContact O-N 3.11Å; C206-C209 PolarHBondContact O-N 2.84Å; C206-G210 PolarHBondContact O-N 3.41Å |
| 207 | N | 95.2 | Very high | 92.2 | Very high | 39 Ų | 39 | 71 Ų | 71 | 21% | 0.209 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -47.5 | -47 | -176.4 | -168.7 | 25.5 | 0 | 0 | 0 | 112.7 | T193 P194 L195 R197 C209 G210 L211 | T193-N207 PolarHBondContact OG1-N 2.81Å; P194-N207 HydrophobicContact CG-CB 4.42Å; L195-N207 HydrophobicContact CB-CB 4.13Å; L195-N207 WeakPolarHBondContact O-CB 3.28Å; L195-N207 PolarHBondContact O-N 3.49Å; R197-N207 VanDerWaalsContact CZ-OD1 3.28Å; R197-N207 PolarHBondContact NE-OD1 2.83Å; R197-N207 PolarHBondContact NH2-OD1 2.91Å; N207-C209 PolarHBondContact O-N 3.15Å; N207-G210 PolarHBondContact O-N 3.11Å; N207-L211 WeakPolarHBondContact O-CB 3.47Å; N207-L211 VanDerWaalsContact O-CG 3.28Å; N207-L211 WeakPolarHBondContact O-CG 3.38Å; N207-L211 PolarHBondContact O-N 3.02Å; N207-L211 WeakPolarHBondContact OD1-CD1 3.38Å |
| 208 | A | 93.1 | Very high | 92 | Very high | 47 Ų | 47 | 71.5 Ų | 71.5 | 39% | 0.388 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67 | -32.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | C206 Y212 | C206-A208 PolarHBondContact O-N 3.2Å; C206-A208 VanDerWaalsContact O-N 3.11Å; A208-Y212 VanDerWaalsContact O-CB 3.31Å; A208-Y212 WeakPolarHBondContact O-CB 3.44Å; A208-Y212 PolarHBondContact O-N 3.23Å |
| 209 | C | 94 | Very high | 91.6 | Very high | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.014 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -80 | -39.6 | 176.1 | -71.4 | 0 | 0 | 0 | 0 | 111.9 | N187 C188 L205 C206 N207 Y212 H213 | N187-C209 HydrophobicContact CB-CB 4.34Å; N187-C209 PolarHBondContact ND2-SG 3.01Å; N187-C209 VanDerWaalsContact ND2-SG 3.43Å; C188-C209 VanDerWaalsContact SG-SG 3.68Å; L205-C209 HydrophobicContact CD2-CB 4.21Å; C206-C209 PolarHBondContact O-N 2.84Å; N207-C209 PolarHBondContact O-N 3.15Å; C209-Y212 PolarHBondContact O-N 3.29Å; C209-H213 WeakPolarHBondContact O-CB 3.39Å; C209-H213 PolarHBondContact O-N 3.07Å |
| 210 | G | 94.1 | Very high | 91.6 | Very high | 10 Ų | 10 | 71.7 Ų | 71.7 | 10% | 0.103 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.5 | -37.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | C206 N207 K214 | C206-G210 PolarHBondContact O-N 3.41Å; N207-G210 PolarHBondContact O-N 3.11Å; G210-K214 WeakPolarHBondContact O-CB 3.39Å; G210-K214 PolarHBondContact O-N 2.94Å |
| 211 | L | 92.9 | Very high | 91.4 | Very high | 85 Ų | 85 | 71.2 Ų | 71.2 | 45% | 0.445 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.4 | -47.7 | 172.3 | -75.5 | 168.9 | 0 | 0 | 0 | 111.8 | N207 K214 M215 | N207-L211 WeakPolarHBondContact O-CB 3.47Å; N207-L211 VanDerWaalsContact O-CG 3.28Å; N207-L211 WeakPolarHBondContact O-CG 3.38Å; N207-L211 PolarHBondContact O-N 3.02Å; N207-L211 WeakPolarHBondContact OD1-CD1 3.38Å; L211-K214 PolarHBondContact O-N 3Å; L211-M215 WeakPolarHBondContact O-CB 3.19Å; L211-M215 PolarHBondContact O-N 2.7Å |
| 212 | Y | 93.1 | Very high | 90.9 | Very high | 59 Ų | 59 | 69.2 Ų | 69.2 | 23% | 0.231 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 178.3 | -170.2 | -85.6 | 0 | 0 | 0 | 111.9 | A208 C209 K214 M215 N216 I218 R220 P221 | A208-Y212 VanDerWaalsContact O-CB 3.31Å; A208-Y212 WeakPolarHBondContact O-CB 3.44Å; A208-Y212 PolarHBondContact O-N 3.23Å; C209-Y212 PolarHBondContact O-N 3.29Å; Y212-K214 VanDerWaalsContact C-N 3.35Å; Y212-K214 PolarHBondContact O-N 2.87Å; Y212-M215 PolarHBondContact O-N 2.75Å; Y212-N216 HydrophobicContact CD1-CB 4.26Å; Y212-N216 WeakPolarHBondContact CD2-OD1 3.48Å; Y212-N216 HydrophobicContact CE1-CB 3.97Å; Y212-N216 WeakPolarHBondContact CE2-OD1 3.12Å; Y212-N216 WeakPolarHBondContact O-CB 3.3Å; Y212-N216 PolarHBondContact O-N 2.7Å; Y212-N216 PolarHBondContact O-OD1 2.9Å; Y212-I218 WeakPolarHBondContact CD1-O 3.17Å; Y212-I218 HydrophobicContact CE1-CD1 4.15Å; Y212-I218 HydrophobicContact CE1-CG1 3.96Å; Y212-R220 HydrophobicContact CD1-CB 3.63Å; Y212-R220 HydrophobicContact CD1-CG 4.02Å; Y212-R220 HydrophobicContact CD2-CG 4.09Å; Y212-R220 VanDerWaalsContact CE1-CA 3.5Å; Y212-R220 HydrophobicContact CE1-CB 4.2Å; Y212-R220 HydrophobicContact CE1-CG 4.44Å; Y212-R220 HydrophobicContact CG-CB 3.84Å; Y212-R220 HydrophobicContact CG-CG 3.82Å; Y212-P221 WeakPolarHBondContact OH-CD 3.49Å |
| 213 | H | 91.4 | Very high | 90.3 | Very high | 76 Ų | 76 | 76.1 Ų | 76.1 | 35% | 0.352 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 176.5 | -170.6 | -74.4 | 0 | 0 | 0 | 112.1 | C209 G217 | C209-H213 WeakPolarHBondContact O-CB 3.39Å; C209-H213 PolarHBondContact O-N 3.07Å; H213-G217 WeakPolarHBondContact O-CA 3.48Å; H213-G217 PolarHBondContact O-N 3.23Å |
| 214 | K | 91.3 | Very high | 89.3 | Confident | 187 Ų | 187 | 80.1 Ų | 80.1 | 81% | 0.813 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.6 | -37 | 176.1 | -175.5 | 177.4 | 178.5 | -176.9 | 0 | 112.6 | G210 L211 Y212 | G210-K214 WeakPolarHBondContact O-CB 3.39Å; G210-K214 PolarHBondContact O-N 2.94Å; L211-K214 PolarHBondContact O-N 3Å; Y212-K214 VanDerWaalsContact C-N 3.35Å; Y212-K214 PolarHBondContact O-N 2.87Å |
| 215 | M | 88.1 | Confident | 87.8 | Confident | 151 Ų | 151 | 81.8 Ų | 81.8 | 74% | 0.744 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -84.4 | -36.2 | -175.6 | -172.7 | 174.2 | 72.1 | 0 | 0 | 113.4 | L211 Y212 | L211-M215 WeakPolarHBondContact O-CB 3.19Å; L211-M215 PolarHBondContact O-N 2.7Å; Y212-M215 PolarHBondContact O-N 2.75Å |
| 216 | N | 91.9 | Very high | 86.2 | Confident | 73 Ų | 73 | 84.9 Ų | 84.9 | 39% | 0.39 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -109.4 | -10.1 | -171.3 | -62.9 | 95 | 0 | 0 | 0 | 114 | Y212 I218 | Y212-N216 HydrophobicContact CD1-CB 4.26Å; Y212-N216 WeakPolarHBondContact CD2-OD1 3.48Å; Y212-N216 HydrophobicContact CE1-CB 3.97Å; Y212-N216 WeakPolarHBondContact CE2-OD1 3.12Å; Y212-N216 WeakPolarHBondContact O-CB 3.3Å; Y212-N216 PolarHBondContact O-N 2.7Å; Y212-N216 PolarHBondContact O-OD1 2.9Å; N216-I218 HydrophobicContact CB-CG1 3.77Å; N216-I218 PolarHBondContact O-N 2.92Å; N216-I218 VanDerWaalsContact O-N 3.11Å |
| 217 | G | 88.9 | Confident | 84.5 | Confident | 58 Ų | 58 | 93.9 Ų | 93.9 | 60% | 0.598 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 67.2 | 5.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | H213 | H213-G217 WeakPolarHBondContact O-CA 3.48Å; H213-G217 PolarHBondContact O-N 3.23Å |
| 218 | I | 89.4 | Confident | 83 | Confident | 98 Ų | 98 | 97 Ų | 97 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -130.2 | 155.6 | -176.6 | 53.8 | 157.1 | 0 | 0 | 0 | 111.5 | Y212 N216 | Y212-I218 WeakPolarHBondContact CD1-O 3.17Å; Y212-I218 HydrophobicContact CE1-CD1 4.15Å; Y212-I218 HydrophobicContact CE1-CG1 3.96Å; N216-I218 HydrophobicContact CB-CG1 3.77Å; N216-I218 PolarHBondContact O-N 2.92Å; N216-I218 VanDerWaalsContact O-N 3.11Å |
| 219 | N | 86.9 | Confident | 81.2 | Confident | 90 Ų | 90 | 98.9 Ų | 98.9 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 137.9 | 174.5 | -80.2 | -63.3 | 0 | 0 | 0 | 111.5 | N187 P221 | N187-N219 WeakPolarHBondContact OD1-CB 3.49Å; N187-N219 PolarHBondContact OD1-OD1 3.5Å; N219-P221 WeakPolarHBondContact O-CD 3.41Å |
| 220 | R | 87.8 | Confident | 79.5 | Confident | 110 Ų | 110 | 101.1 Ų | 101.1 | 42% | 0.415 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 122 | -176.7 | -169.9 | -178.2 | 179.9 | -140.7 | 2.1 | 110.5 | N187 Y212 L222 | N187-R220 WeakPolarHBondContact ND2-CB 3.43Å; N187-R220 PolarHBondContact ND2-N 3.37Å; N187-R220 PolarHBondContact ND2-O 3.2Å; Y212-R220 HydrophobicContact CD1-CB 3.63Å; Y212-R220 HydrophobicContact CD1-CG 4.02Å; Y212-R220 HydrophobicContact CD2-CG 4.09Å; Y212-R220 VanDerWaalsContact CE1-CA 3.5Å; Y212-R220 HydrophobicContact CE1-CB 4.2Å; Y212-R220 HydrophobicContact CE1-CG 4.44Å; Y212-R220 HydrophobicContact CG-CB 3.84Å; Y212-R220 HydrophobicContact CG-CG 3.82Å; R220-L222 WeakPolarHBondContact O-CD1 3.48Å; R220-L222 PolarHBondContact O-N 2.88Å |
| 221 | P | 83.6 | Confident | 77.8 | Confident | 83 Ų | 83 | 102.3 Ų | 102.3 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 119.7 | -178.3 | 26.2 | -33.2 | 0 | 0 | 0 | 110.8 | Y212 N219 I223 | Y212-P221 WeakPolarHBondContact OH-CD 3.49Å; N219-P221 WeakPolarHBondContact O-CD 3.41Å; P221-I223 PolarHBondContact O-N 2.92Å |
| 222 | L | 81.9 | Confident | 76.1 | Confident | 67 Ų | 67 | 102.2 Ų | 102.2 | 35% | 0.351 | 52% | 0.523 | S | S | . | . | | | trans | -84.8 | 96.1 | 177.1 | -94 | 67 | 0 | 0 | 0 | 110.3 | C188 R220 K224 Q226 | C188-L222 HydrophobicContact CB-CD1 3.86Å; C188-L222 HydrophobicContact CB-CD2 4.09Å; C188-L222 HydrophobicContact CB-CG 4.41Å; R220-L222 WeakPolarHBondContact O-CD1 3.48Å; R220-L222 PolarHBondContact O-N 2.88Å; L222-K224 PolarHBondContact O-N 3.4Å; L222-K224 VanDerWaalsContact O-N 3.13Å; L222-Q226 HydrophobicContact CD2-CB 3.85Å |
| 223 | I | 75.8 | Confident | 74.6 | Confident | 178 Ų | 178 | 106.4 Ų | 106.4 | 91% | 0.913 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -54.8 | -29.5 | 176.8 | -61.9 | 170 | 0 | 0 | 0 | 112.1 | P221 | P221-I223 PolarHBondContact O-N 2.92Š|
| 224 | K | 73.2 | Confident | 73.4 | Confident | 175 Ų | 175 | 106.6 Ų | 106.6 | 76% | 0.761 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -121.3 | 124.7 | 171.2 | -158 | 165.4 | -171.1 | 169.9 | 0 | 108.6 | L222 Q226 | L222-K224 PolarHBondContact O-N 3.4Å; L222-K224 VanDerWaalsContact O-N 3.13Å; K224-Q226 PolarHBondContact O-N 3.09Å |
| 225 | P | 61.3 | Low | 72.4 | Confident | 115 Ų | 115 | 104 Ų | 104 | 75% | 0.747 | 54% | 0.536 | S | S | * | . | | | trans | -63.7 | 113.6 | 177.7 | 25.7 | -33.1 | 0 | 0 | 0 | 109 | R227 | P225-R227 PolarHBondContact O-N 3.36Š|
| 226 | Q | 60.4 | Low | 72.1 | Confident | 73 Ų | 73 | 100.4 Ų | 100.4 | 34% | 0.341 | 54% | 0.537 | S | S | . | . | | | trans | -68.7 | 123.3 | -171.9 | -161.6 | -84.2 | -16.3 | 0 | 0 | 109.5 | C188 L222 K224 R228 | C188-Q226 WeakPolarHBondContact O-CG 3.41Å; L222-Q226 HydrophobicContact CD2-CB 3.85Å; K224-Q226 PolarHBondContact O-N 3.09Å; Q226-R228 VanDerWaalsContact C-N 3.29Å; Q226-R228 PolarHBondContact O-N 3.11Å |
| 227 | R | 59.8 | Low | 72.1 | Confident | 195 Ų | 195 | 100.1 Ų | 100.1 | 74% | 0.736 | 54% | 0.535 | S | S | * | . | | | trans | -69.4 | 91.9 | 169 | -82.3 | -171.2 | 65.3 | 145.2 | -2.5 | 107.7 | P225 L229 | P225-R227 PolarHBondContact O-N 3.36Å; R227-L229 PolarHBondContact O-N 3.23Å; R227-L229 VanDerWaalsContact O-N 3.15Å |
| 228 | R | 62.8 | Low | 72.4 | Confident | 106 Ų | 106 | 99.6 Ų | 99.6 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | | | trans | -42.2 | 123.1 | 171 | -88.2 | 172.6 | 153.6 | -94.9 | 0.1 | 108.8 | E184 Q226 S230 A231 | E184-R228 IonicContact OE1-CZ 3.11Å; E184-R228 IonicContact OE1-NH1 2.7Å; E184-R228 PolarHBondContact OE1-NH1 3.36Å; E184-R228 IonicContact OE1-NH2 2.7Å; E184-R228 PolarHBondContact OE1-NH2 3.32Å; E184-R228 IonicContact OE2-CZ 3.38Å; E184-R228 IonicContact OE2-NH1 2.75Å; E184-R228 PolarHBondContact OE2-NH1 3.47Å; E184-R228 IonicContact OE2-NH2 3.64Å; Q226-R228 VanDerWaalsContact C-N 3.29Å; Q226-R228 PolarHBondContact O-N 3.11Å; R228-S230 PolarHBondContact O-N 2.93Å; R228-S230 VanDerWaalsContact O-N 3.08Å; R228-A231 VanDerWaalsContact O-CB 3.25Å; R228-A231 WeakPolarHBondContact O-CB 3.34Å; R228-A231 PolarHBondContact O-N 3.4Å |
| 229 | L | 56.6 | Low | 72.7 | Confident | 86 Ų | 86 | 95 Ų | 95 | 45% | 0.45 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -68.7 | -11.7 | -169 | -70.3 | 164.2 | 0 | 0 | 0 | 112.7 | M191 R227 A231 S232 R233 | M191-L229 HydrophobicContact SD-CB 3.63Å; M191-L229 HydrophobicContact SD-CD1 3.65Å; M191-L229 HydrophobicContact SD-CG 4.25Å; R227-L229 PolarHBondContact O-N 3.23Å; R227-L229 VanDerWaalsContact O-N 3.15Å; L229-A231 PolarHBondContact O-N 3.03Å; L229-S232 WeakPolarHBondContact O-CA 3.45Å; L229-S232 VanDerWaalsContact O-CB 3.25Å; L229-S232 WeakPolarHBondContact O-CB 3.45Å; L229-S232 PolarHBondContact O-N 3.04Å; L229-R233 PolarHBondContact O-N 3.13Å |
| 230 | S | 58.3 | Low | 73.1 | Confident | 48 Ų | 48 | 93 Ų | 93 | 34% | 0.336 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -64.6 | 7.1 | 159.1 | 55.8 | 0 | 0 | 0 | 0 | 114.9 | R228 R234 | R228-S230 PolarHBondContact O-N 2.93Å; R228-S230 VanDerWaalsContact O-N 3.08Å; S230-R234 WeakPolarHBondContact O-CG 3.3Å; S230-R234 PolarHBondContact O-NE 3.48Å |
| 231 | A | 58.2 | Low | 73.5 | Confident | 35 Ų | 35 | 90 Ų | 90 | 29% | 0.289 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -97.7 | -13.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R228 L229 | R228-A231 VanDerWaalsContact O-CB 3.25Å; R228-A231 WeakPolarHBondContact O-CB 3.34Å; R228-A231 PolarHBondContact O-N 3.4Å; L229-A231 PolarHBondContact O-N 3.03Å |
| 232 | S | 56.9 | Low | 74.1 | Confident | 84 Ų | 84 | 86.2 Ų | 86.2 | 59% | 0.587 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -43.6 | 171.8 | -155.1 | 0 | 0 | 0 | 0 | 110.7 | L229 R234 V235 | L229-S232 WeakPolarHBondContact O-CA 3.45Å; L229-S232 VanDerWaalsContact O-CB 3.25Å; L229-S232 WeakPolarHBondContact O-CB 3.45Å; L229-S232 PolarHBondContact O-N 3.04Å; S232-R234 PolarHBondContact O-N 3.13Å; S232-V235 PolarHBondContact O-N 3.14Å |
| 233 | R | 61.4 | Low | 74.8 | Confident | 147 Ų | 147 | 89.1 Ų | 89.1 | 56% | 0.555 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 31.9 | 168.5 | -69.8 | -167.8 | -92.9 | -135 | -12.7 | 114.4 | E181 L229 | E181-R233 IonicContact OE1-CZ 3.03Å; E181-R233 IonicContact OE1-NH1 2.67Å; E181-R233 PolarHBondContact OE1-NH1 3.11Å; E181-R233 IonicContact OE1-NH2 2.66Å; E181-R233 PolarHBondContact OE1-NH2 3.42Å; L229-R233 PolarHBondContact O-N 3.13Å |
| 234 | R | 66.8 | Low | 75.6 | Confident | 79 Ų | 79 | 82 Ų | 82 | 30% | 0.298 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | -2.1 | 177 | -63.7 | -174.6 | -171.1 | -159.2 | 3.8 | 113.7 | S230 S232 G236 L237 T247 | S230-R234 WeakPolarHBondContact O-CG 3.3Å; S230-R234 PolarHBondContact O-NE 3.48Å; S232-R234 PolarHBondContact O-N 3.13Å; R234-G236 PolarHBondContact O-N 3.37Å; R234-L237 PolarHBondContact O-N 2.72Å; R234-L237 VanDerWaalsContact O-N 3.14Å; R234-T247 PolarHBondContact NH1-O 3.12Å |
| 235 | V | 69.6 | Low | 76.5 | Confident | 134 Ų | 134 | 77.6 Ų | 77.6 | 81% | 0.812 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 131.1 | 170.8 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | S232 L237 | S232-V235 PolarHBondContact O-N 3.14Å; V235-L237 PolarHBondContact O-N 2.7Å |
| 236 | G | 83.1 | Confident | 78 | Confident | 75 Ų | 75 | 76 Ų | 76 | 77% | 0.773 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -17.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | R234 S238 | R234-G236 PolarHBondContact O-N 3.37Å; G236-S238 PolarHBondContact O-N 3.34Å |
| 237 | L | 90.8 | Very high | 79.5 | Confident | 67 Ų | 67 | 73.4 Ų | 73.4 | 35% | 0.351 | 40% | 0.399 | S | S | . | . | | | trans | -75.8 | 121.1 | 177.6 | -84.8 | 67.7 | 0 | 0 | 0 | 110.8 | R234 V235 T245 W250 | R234-L237 PolarHBondContact O-N 2.72Å; R234-L237 VanDerWaalsContact O-N 3.14Å; V235-L237 PolarHBondContact O-N 2.7Å; L237-T245 WeakPolarHBondContact O-CA 3.39Å; L237-W250 HydrophobicContact CB-CH2 4.27Å; L237-W250 HydrophobicContact CB-CZ2 3.64Å; L237-W250 HydrophobicContact CD2-CD2 4.44Å; L237-W250 HydrophobicContact CD2-CG 4.41Å; L237-W250 WeakPolarHBondContact O-CZ2 3.45Å |
| 238 | S | 94.9 | Very high | 81 | Confident | 47 Ų | 47 | 68.8 Ų | 68.8 | 33% | 0.329 | 39% | 0.392 | S | S | . | . | | | trans | -126.3 | 154.7 | 172.1 | 76 | 0 | 0 | 0 | 0 | 111.1 | G236 | G236-S238 PolarHBondContact O-N 3.34Š|
| 239 | C | 96.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 39% | 0.394 | C | S | . | . | | | trans | -80.4 | 122.8 | 176.9 | 176 | 0 | 0 | 0 | 0 | 111.2 | N241 C242 H243 T244 W250 P258 C260 | C239-N241 VanDerWaalsContact C-N 3.33Å; C239-N241 PolarHBondContact O-N 2.79Å; C239-C242 PolarHBondContact O-N 2.8Å; C239-H243 VanDerWaalsContact O-CA 3.24Å; C239-H243 WeakPolarHBondContact O-CA 3.34Å; C239-H243 PolarHBondContact O-N 3.08Å; C239-T244 PolarHBondContact N-O 3.03Å; C239-T244 VanDerWaalsContact N-O 3.08Å; C239-W250 HydrophobicContact CB-CZ3 4.06Å; C239-P258 WeakPolarHBondContact CA-O 3.45Å; C239-C260 HydrophobicContact CB-CB 3.93Å; C239-C260 PolarHBondContact SG-N 3.28Å |
| 240 | T | 96.6 | Very high | 84.1 | Confident | 49 Ų | 49 | 65.7 Ų | 65.7 | 30% | 0.301 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -42.3 | -177.8 | 59.4 | 0 | 0 | 0 | 0 | 113.4 | C242 H243 E257 P258 | T240-C242 PolarHBondContact O-N 3.06Å; T240-H243 PolarHBondContact O-CE1 3.34Å; T240-E257 WeakPolarHBondContact CB-OE2 3.5Å; T240-E257 HydrophobicContact CG2-CB 3.79Å; T240-E257 HydrophobicContact CG2-CG 4.35Å; T240-E257 WeakPolarHBondContact CG2-OE2 3.47Å; T240-E257 PolarHBondContact OG1-OE2 3.19Å; T240-P258 PolarHBondContact N-O 3.21Å; T240-P258 VanDerWaalsContact N-O 3.08Å |
| 241 | N | 96.3 | Very high | 85.9 | Confident | 47 Ų | 47 | 67.9 Ų | 67.9 | 25% | 0.251 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -17.4 | -179.9 | 167.9 | -110.4 | 0 | 0 | 0 | 116.7 | C239 C263 R274 | C239-N241 VanDerWaalsContact C-N 3.33Å; C239-N241 PolarHBondContact O-N 2.79Å; N241-C263 HydrophobicContact CB-CB 4.36Å; N241-C263 WeakPolarHBondContact OD1-CB 3.33Å; N241-C263 PolarHBondContact OD1-SG 2.98Å; N241-R274 WeakPolarHBondContact OD1-CB 3.47Å |
| 242 | C | 95.7 | Very high | 87.7 | Confident | 3 Ų | 3 | 75.5 Ų | 75.5 | 2% | 0.02 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -148.9 | 3.4 | -174.9 | 74.5 | 0 | 0 | 0 | 0 | 116.3 | C239 T240 T244 L276 K279 | C239-C242 PolarHBondContact O-N 2.8Å; T240-C242 PolarHBondContact O-N 3.06Å; C242-T244 PolarHBondContact O-N 3.43Å; C242-L276 HydrophobicContact CB-CD2 4Å; C242-K279 PolarHBondContact O-NZ 2.89Å |
| 243 | H | 95.3 | Very high | 89.5 | Confident | 129 Ų | 129 | 73.7 Ų | 73.7 | 60% | 0.597 | 39% | 0.386 | S | S | * | . | | | trans | 55.5 | 9.7 | 178.3 | -44.3 | -56.4 | 0 | 0 | 0 | 116 | C239 T240 T245 | C239-H243 VanDerWaalsContact O-CA 3.24Å; C239-H243 WeakPolarHBondContact O-CA 3.34Å; C239-H243 PolarHBondContact O-N 3.08Å; T240-H243 PolarHBondContact O-CE1 3.34Å; H243-T245 PolarHBondContact O-N 2.81Å |
| 244 | T | 93.7 | Very high | 91 | Very high | 27 Ų | 27 | 71.6 Ų | 71.6 | 17% | 0.166 | 40% | 0.4 | C | S | . | . | | | trans | -63.5 | 123 | 170.5 | -70 | 0 | 0 | 0 | 0 | 110.4 | C239 C242 T246 W250 K279 | C239-T244 PolarHBondContact N-O 3.03Å; C239-T244 VanDerWaalsContact N-O 3.08Å; C242-T244 PolarHBondContact O-N 3.43Å; T244-T246 WeakPolarHBondContact CG2-O 3.13Å; T244-W250 WeakPolarHBondContact O-CH2 3.25Å; T244-K279 WeakPolarHBondContact OG1-CE 3.5Å |
| 245 | T | 92.9 | Very high | 92.3 | Very high | 84 Ų | 84 | 74.5 Ų | 74.5 | 52% | 0.515 | 42% | 0.418 | S | S | . | . | | | trans | -86.5 | -17 | 173.5 | 53.6 | 0 | 0 | 0 | 0 | 113 | L237 H243 W250 | L237-T245 WeakPolarHBondContact O-CA 3.39Å; H243-T245 PolarHBondContact O-N 2.81Å; T245-W250 WeakPolarHBondContact O-CZ2 3.34Å |
| 246 | T | 91.1 | Very high | 93.5 | Very high | 80 Ų | 80 | 69.4 Ų | 69.4 | 49% | 0.491 | 39% | 0.392 | S | S | . | . | | | trans | -106.7 | 102.6 | -174.3 | 48.4 | 0 | 0 | 0 | 0 | 111.6 | T244 | T244-T246 WeakPolarHBondContact CG2-O 3.13Š|
| 247 | T | 92.6 | Very high | 94 | Very high | 20 Ų | 20 | 70 Ų | 70 | 12% | 0.123 | 38% | 0.375 | C | S | . | . | | | trans | -136 | 149.1 | 177.2 | -162.7 | 0 | 0 | 0 | 0 | 113.9 | R234 L249 W250 C260 N261 | R234-T247 PolarHBondContact NH1-O 3.12Å; T247-L249 VanDerWaalsContact C-N 3.31Å; T247-L249 WeakPolarHBondContact CG2-O 3.39Å; T247-L249 PolarHBondContact OG1-O 3.15Å; T247-W250 HydrophobicContact CG2-CD2 3.4Å; T247-W250 VanDerWaalsContact CG2-CD2 3.4Å; T247-W250 HydrophobicContact CG2-CE3 3.68Å; T247-W250 HydrophobicContact CG2-CG 3.83Å; T247-W250 HydrophobicContact CG2-CH2 4.2Å; T247-W250 HydrophobicContact CG2-CZ2 3.99Å; T247-W250 HydrophobicContact CG2-CZ3 4.06Å; T247-C260 HydrophobicContact CG2-CB 4.25Å; T247-C260 WeakPolarHBondContact OG1-CB 3.25Å; T247-N261 PolarHBondContact OG1-N 2.79Å |
| 248 | T | 90.8 | Very high | 94.3 | Very high | 97 Ų | 97 | 69.1 Ų | 69.1 | 60% | 0.595 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -67.7 | -31.7 | 177.1 | 51.4 | 0 | 0 | 0 | 0 | 112.5 | I283 | T248-I283 HydrophobicContact CG2-CD1 4.44Å; T248-I283 HydrophobicContact CG2-CG2 3.66Å |
| 249 | L | 91.8 | Very high | 94.4 | Very high | 83 Ų | 83 | 67.3 Ų | 67.3 | 44% | 0.435 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -148.7 | 127.2 | 176.3 | 172.5 | 64.4 | 0 | 0 | 0 | 108.9 | T247 R251 N261 | T247-L249 VanDerWaalsContact C-N 3.31Å; T247-L249 WeakPolarHBondContact CG2-O 3.39Å; T247-L249 PolarHBondContact OG1-O 3.15Å; L249-R251 HydrophobicContact CG-CG 4.46Å; L249-N261 HydrophobicContact CB-CB 4.09Å; L249-N261 WeakPolarHBondContact O-CB 3.4Å; L249-N261 PolarHBondContact O-N 2.87Å |
| 250 | W | 94.3 | Very high | 94.4 | Very high | 44 Ų | 44 | 67.6 Ų | 67.6 | 17% | 0.167 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 142 | 166.2 | -72.9 | 120 | 0 | 0 | 0 | 109.6 | L237 C239 T244 T245 T247 P258 | L237-W250 HydrophobicContact CB-CH2 4.27Å; L237-W250 HydrophobicContact CB-CZ2 3.64Å; L237-W250 HydrophobicContact CD2-CD2 4.44Å; L237-W250 HydrophobicContact CD2-CG 4.41Å; L237-W250 WeakPolarHBondContact O-CZ2 3.45Å; C239-W250 HydrophobicContact CB-CZ3 4.06Å; T244-W250 WeakPolarHBondContact O-CH2 3.25Å; T245-W250 WeakPolarHBondContact O-CZ2 3.34Å; T247-W250 HydrophobicContact CG2-CD2 3.4Å; T247-W250 VanDerWaalsContact CG2-CD2 3.4Å; T247-W250 HydrophobicContact CG2-CE3 3.68Å; T247-W250 HydrophobicContact CG2-CG 3.83Å; T247-W250 HydrophobicContact CG2-CH2 4.2Å; T247-W250 HydrophobicContact CG2-CZ2 3.99Å; T247-W250 HydrophobicContact CG2-CZ3 4.06Å; W250-P258 HydrophobicContact CE3-CB 4.37Å |
| 251 | R | 95.4 | Very high | 94.4 | Very high | 95 Ų | 95 | 67 Ų | 67 | 36% | 0.358 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 171.1 | 173.5 | -66.9 | -177.6 | 176.6 | -81 | -5.2 | 108.7 | L249 V259 N261 | L249-R251 HydrophobicContact CG-CG 4.46Å; R251-V259 HydrophobicContact CB-CG2 3.88Å; R251-V259 PolarHBondContact N-O 2.66Å; R251-V259 PolarHBondContact O-N 3.4Å; R251-N261 PolarHBondContact NE-OD1 3.3Å; R251-N261 PolarHBondContact NH2-OD1 2.76Å |
| 252 | R | 95.8 | Very high | 94.4 | Very high | 195 Ų | 195 | 66.7 Ų | 66.7 | 74% | 0.736 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 150 | 163.9 | -62.9 | -179.8 | -174.4 | -93.5 | 8.3 | 110.1 | G256 E257 | R252-G256 VanDerWaalsContact CD-O 3.26Å; R252-G256 WeakPolarHBondContact CD-O 3.5Å; R252-G256 WeakPolarHBondContact CG-O 3.46Å; R252-G256 PolarHBondContact NH1-O 3.36Å; R252-E257 WeakPolarHBondContact CA-O 3.31Å |
| 253 | N | 94.4 | Very high | 94.5 | Very high | 45 Ų | 45 | 66.9 Ų | 66.9 | 24% | 0.241 | 36% | 0.362 | C | S | . | . | | | trans | -80.8 | -172.3 | 163.4 | 57.7 | -6.8 | 0 | 0 | 0 | 110.2 | E255 G256 E257 V259 | N253-E255 WeakPolarHBondContact CB-OE2 3.33Å; N253-E255 PolarHBondContact ND2-OE2 3.1Å; N253-E255 PolarHBondContact O-N 3.37Å; N253-G256 PolarHBondContact O-N 3.3Å; N253-G256 PolarHBondContact OD1-N 3.46Å; N253-G256 VanDerWaalsContact OD1-N 3.17Å; N253-E257 PolarHBondContact N-O 3.26Å; N253-E257 PolarHBondContact ND2-OE2 3.06Å; N253-E257 WeakPolarHBondContact OD1-CA 3.22Å; N253-E257 VanDerWaalsContact OD1-CB 3.25Å; N253-E257 WeakPolarHBondContact OD1-CB 3.26Å; N253-E257 PolarHBondContact OD1-N 2.99Å; N253-E257 PolarHBondContact OD1-O 2.85Å; N253-V259 HydrophobicContact CB-CG1 4.13Å |
| 254 | A | 93.8 | Very high | 94.6 | Very high | 103 Ų | 103 | 61.6 Ų | 61.6 | 85% | 0.851 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -27.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G256 | A254-G256 VanDerWaalsContact C-N 3.26Å; A254-G256 PolarHBondContact O-N 2.89Å |
| 255 | E | 93.9 | Very high | 94.7 | Very high | 141 Ų | 141 | 64.3 Ų | 64.3 | 66% | 0.659 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -6.4 | 179 | -53.9 | 70.1 | -154 | 0 | 0 | 112.4 | N253 E257 | N253-E255 WeakPolarHBondContact CB-OE2 3.33Å; N253-E255 PolarHBondContact ND2-OE2 3.1Å; N253-E255 PolarHBondContact O-N 3.37Å; E255-E257 HydrophobicContact CB-CG 4.17Å; E255-E257 PolarHBondContact O-N 3.12Å |
| 256 | G | 93.9 | Very high | 95 | Very high | 27 Ų | 27 | 62.6 Ų | 62.6 | 28% | 0.278 | 34% | 0.34 | S | S | . | . | | | trans | 85.4 | -5.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R252 N253 A254 | R252-G256 VanDerWaalsContact CD-O 3.26Å; R252-G256 WeakPolarHBondContact CD-O 3.5Å; R252-G256 WeakPolarHBondContact CG-O 3.46Å; R252-G256 PolarHBondContact NH1-O 3.36Å; N253-G256 PolarHBondContact O-N 3.3Å; N253-G256 PolarHBondContact OD1-N 3.46Å; N253-G256 VanDerWaalsContact OD1-N 3.17Å; A254-G256 VanDerWaalsContact C-N 3.26Å; A254-G256 PolarHBondContact O-N 2.89Å |
| 257 | E | 94.6 | Very high | 95.2 | Very high | 86 Ų | 86 | 63 Ų | 63 | 40% | 0.402 | 34% | 0.338 | S | S | . | . | | | trans | -67.3 | 154.6 | 179.9 | -47.5 | -177.7 | 121.8 | 0 | 0 | 113.8 | T240 R252 N253 E255 V259 | T240-E257 WeakPolarHBondContact CB-OE2 3.5Å; T240-E257 HydrophobicContact CG2-CB 3.79Å; T240-E257 HydrophobicContact CG2-CG 4.35Å; T240-E257 WeakPolarHBondContact CG2-OE2 3.47Å; T240-E257 PolarHBondContact OG1-OE2 3.19Å; R252-E257 WeakPolarHBondContact CA-O 3.31Å; N253-E257 PolarHBondContact N-O 3.26Å; N253-E257 PolarHBondContact ND2-OE2 3.06Å; N253-E257 WeakPolarHBondContact OD1-CA 3.22Å; N253-E257 VanDerWaalsContact OD1-CB 3.25Å; N253-E257 WeakPolarHBondContact OD1-CB 3.26Å; N253-E257 PolarHBondContact OD1-N 2.99Å; N253-E257 PolarHBondContact OD1-O 2.85Å; E255-E257 HydrophobicContact CB-CG 4.17Å; E255-E257 PolarHBondContact O-N 3.12Å; E257-V259 PolarHBondContact O-N 3.17Å |
| 258 | P | 95.6 | Very high | 95.4 | Very high | 49 Ų | 49 | 71.2 Ų | 71.2 | 32% | 0.318 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 121.9 | 175.8 | 28.6 | -34.8 | 0 | 0 | 0 | 113.1 | C239 T240 W250 | C239-P258 WeakPolarHBondContact CA-O 3.45Å; T240-P258 PolarHBondContact N-O 3.21Å; T240-P258 VanDerWaalsContact N-O 3.08Å; W250-P258 HydrophobicContact CE3-CB 4.37Å |
| 259 | V | 96.7 | Very high | 95.7 | Very high | 9 Ų | 9 | 72.9 Ų | 72.9 | 6% | 0.055 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 147.4 | 170.9 | -58 | 0 | 0 | 0 | 0 | 112 | R251 N253 E257 | R251-V259 HydrophobicContact CB-CG2 3.88Å; R251-V259 PolarHBondContact N-O 2.66Å; R251-V259 PolarHBondContact O-N 3.4Å; N253-V259 HydrophobicContact CB-CG1 4.13Å; E257-V259 PolarHBondContact O-N 3.17Å |
| 260 | C | 96.8 | Very high | 96 | Very high | 7 Ų | 7 | 73.9 Ų | 73.9 | 5% | 0.047 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 156.6 | 177.9 | 84.8 | 0 | 0 | 0 | 0 | 111.4 | C239 T247 A262 C263 G264 | C239-C260 HydrophobicContact CB-CB 3.93Å; C239-C260 PolarHBondContact SG-N 3.28Å; T247-C260 HydrophobicContact CG2-CB 4.25Å; T247-C260 WeakPolarHBondContact OG1-CB 3.25Å; C260-A262 PolarHBondContact O-N 2.67Å; C260-A262 VanDerWaalsContact O-N 3.11Å; C260-C263 PolarHBondContact O-N 3.41Å; C260-C263 VanDerWaalsContact O-N 3.14Å; C260-C263 PolarHBondContact SG-SG 3.41Å; C260-G264 PolarHBondContact O-N 3.45Å |
| 261 | N | 97.3 | Very high | 96.1 | Very high | 35 Ų | 35 | 74.8 Ų | 74.8 | 19% | 0.187 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -54.8 | -34.3 | -178.6 | -175.4 | 64 | 0 | 0 | 0 | 113.9 | T247 L249 R251 L265 | T247-N261 PolarHBondContact OG1-N 2.79Å; L249-N261 HydrophobicContact CB-CB 4.09Å; L249-N261 WeakPolarHBondContact O-CB 3.4Å; L249-N261 PolarHBondContact O-N 2.87Å; R251-N261 PolarHBondContact NE-OD1 3.3Å; R251-N261 PolarHBondContact NH2-OD1 2.76Å; N261-L265 WeakPolarHBondContact ND2-CD1 2.99Å; N261-L265 VanDerWaalsContact O-CB 3.3Å; N261-L265 WeakPolarHBondContact O-CB 3.42Å; N261-L265 WeakPolarHBondContact O-CD1 3.37Å; N261-L265 WeakPolarHBondContact O-CG 3.37Å; N261-L265 PolarHBondContact O-N 2.93Å; N261-L265 VanDerWaalsContact O-N 3.13Å |
| 262 | A | 97 | Very high | 96.1 | Very high | 42 Ų | 42 | 73.8 Ų | 73.8 | 35% | 0.347 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.4 | -42.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | C260 Y266 | C260-A262 PolarHBondContact O-N 2.67Å; C260-A262 VanDerWaalsContact O-N 3.11Å; A262-Y266 VanDerWaalsContact O-CB 3.3Å; A262-Y266 WeakPolarHBondContact O-CB 3.03Å; A262-Y266 PolarHBondContact O-N 3.47Å |
| 263 | C | 97.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 68.2 Ų | 68.2 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -70.5 | -45.3 | 179.3 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | N241 C260 L265 Y266 M267 R274 | N241-C263 HydrophobicContact CB-CB 4.36Å; N241-C263 WeakPolarHBondContact OD1-CB 3.33Å; N241-C263 PolarHBondContact OD1-SG 2.98Å; C260-C263 PolarHBondContact O-N 3.41Å; C260-C263 VanDerWaalsContact O-N 3.14Å; C260-C263 PolarHBondContact SG-SG 3.41Å; C263-L265 VanDerWaalsContact C-N 3.33Å; C263-L265 PolarHBondContact O-N 2.83Å; C263-Y266 PolarHBondContact O-N 3.17Å; C263-M267 WeakPolarHBondContact O-CB 3.13Å; C263-M267 PolarHBondContact O-N 2.75Å; C263-R274 HydrophobicContact CB-CB 4.4Å |
| 264 | G | 97 | Very high | 96.2 | Very high | 18 Ų | 18 | 68.4 Ų | 68.4 | 19% | 0.186 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.1 | -32.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | C260 K268 | C260-G264 PolarHBondContact O-N 3.45Å; G264-K268 WeakPolarHBondContact O-CB 3.43Å; G264-K268 PolarHBondContact O-N 3.24Å |
| 265 | L | 96.8 | Very high | 96.3 | Very high | 84 Ų | 84 | 66.1 Ų | 66.1 | 44% | 0.44 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -74.6 | -37.6 | 172.6 | -72.9 | 174.8 | 0 | 0 | 0 | 112.6 | N261 C263 K268 L269 | N261-L265 WeakPolarHBondContact ND2-CD1 2.99Å; N261-L265 VanDerWaalsContact O-CB 3.3Å; N261-L265 WeakPolarHBondContact O-CB 3.42Å; N261-L265 WeakPolarHBondContact O-CD1 3.37Å; N261-L265 WeakPolarHBondContact O-CG 3.37Å; N261-L265 PolarHBondContact O-N 2.93Å; N261-L265 VanDerWaalsContact O-N 3.13Å; C263-L265 VanDerWaalsContact C-N 3.33Å; C263-L265 PolarHBondContact O-N 2.83Å; L265-K268 PolarHBondContact O-N 2.76Å; L265-L269 WeakPolarHBondContact O-CB 3.36Å; L265-L269 PolarHBondContact O-N 2.99Å; L265-L269 VanDerWaalsContact O-N 3.11Å |
| 266 | Y | 97.6 | Very high | 96.3 | Very high | 48 Ų | 48 | 64.9 Ų | 64.9 | 19% | 0.188 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.6 | -48 | 177.8 | -173.8 | -86.2 | 0 | 0 | 0 | 111.4 | A262 C263 K268 L269 H270 V272 P273 R274 P275 M278 | A262-Y266 VanDerWaalsContact O-CB 3.3Å; A262-Y266 WeakPolarHBondContact O-CB 3.03Å; A262-Y266 PolarHBondContact O-N 3.47Å; C263-Y266 PolarHBondContact O-N 3.17Å; Y266-K268 VanDerWaalsContact C-N 3.31Å; Y266-K268 PolarHBondContact O-N 3.24Å; Y266-L269 PolarHBondContact O-N 3.08Å; Y266-L269 VanDerWaalsContact O-N 3.09Å; Y266-H270 AromaticContact CD2-CD2 3.43Å; Y266-H270 VanDerWaalsContact CD2-CD2 3.43Å; Y266-H270 WeakPolarHBondContact CD2-CD2 3.11Å; Y266-H270 AromaticContact CD2-NE2 3.87Å; Y266-H270 HydrophobicContact CE1-CB 4.24Å; Y266-H270 AromaticContact CE2-CD2 3.41Å; Y266-H270 VanDerWaalsContact CE2-CD2 3.41Å; Y266-H270 WeakPolarHBondContact CE2-CD2 3.25Å; Y266-H270 AromaticContact CE2-NE2 3.75Å; Y266-H270 AromaticContact CG-CD2 3.79Å; Y266-H270 AromaticContact CZ-CD2 3.75Å; Y266-H270 PolarHBondContact O-CD2 3.13Å; Y266-H270 PolarHBondContact O-N 3.49Å; Y266-V272 VanDerWaalsContact CD1-O 3.31Å; Y266-V272 WeakPolarHBondContact CD1-O 3.48Å; Y266-V272 HydrophobicContact CE1-CG2 4.06Å; Y266-V272 WeakPolarHBondContact CE1-O 3.41Å; Y266-P273 WeakPolarHBondContact CE1-O 3.43Å; Y266-R274 VanDerWaalsContact CD1-CA 3.41Å; Y266-R274 HydrophobicContact CD1-CB 3.7Å; Y266-R274 HydrophobicContact CD1-CG 4.05Å; Y266-R274 HydrophobicContact CD2-CG 4.13Å; Y266-R274 HydrophobicContact CE1-CB 4.32Å; Y266-R274 HydrophobicContact CG-CB 3.88Å; Y266-R274 HydrophobicContact CG-CG 3.8Å; Y266-P275 VanDerWaalsContact CZ-CD 3.49Å; Y266-P275 WeakPolarHBondContact OH-CD 3.38Å; Y266-M278 HydrophobicContact CE2-SD 3.85Å |
| 267 | M | 96.9 | Very high | 96.3 | Very high | 90 Ų | 90 | 68.6 Ų | 68.6 | 44% | 0.443 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -56.6 | -44.6 | 175.5 | -174.3 | 67.1 | 90.2 | 0 | 0 | 111.4 | C263 L269 G271 P273 | C263-M267 WeakPolarHBondContact O-CB 3.13Å; C263-M267 PolarHBondContact O-N 2.75Å; M267-L269 VanDerWaalsContact C-N 3.3Å; M267-L269 PolarHBondContact O-N 2.76Å; M267-G271 WeakPolarHBondContact O-CA 3.37Å; M267-G271 PolarHBondContact O-N 3.08Å; M267-P273 HydrophobicContact CE-CB 4.07Å |
| 268 | K | 96.3 | Very high | 96.2 | Very high | 191 Ų | 191 | 69.3 Ų | 69.3 | 83% | 0.83 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.8 | -26.5 | 178.1 | -178.8 | 163 | -178.5 | 164.9 | 0 | 114 | G264 L265 Y266 | G264-K268 WeakPolarHBondContact O-CB 3.43Å; G264-K268 PolarHBondContact O-N 3.24Å; L265-K268 PolarHBondContact O-N 2.76Å; Y266-K268 VanDerWaalsContact C-N 3.31Å; Y266-K268 PolarHBondContact O-N 3.24Å |
| 269 | L | 97.1 | Very high | 96 | Very high | 133 Ų | 133 | 70.8 Ų | 70.8 | 70% | 0.696 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -91.1 | -31.5 | -178.4 | -175.8 | 59.9 | 0 | 0 | 0 | 113.2 | L265 Y266 M267 | L265-L269 WeakPolarHBondContact O-CB 3.36Å; L265-L269 PolarHBondContact O-N 2.99Å; L265-L269 VanDerWaalsContact O-N 3.11Å; Y266-L269 PolarHBondContact O-N 3.08Å; Y266-L269 VanDerWaalsContact O-N 3.09Å; M267-L269 VanDerWaalsContact C-N 3.3Å; M267-L269 PolarHBondContact O-N 2.76Å |
| 270 | H | 96.9 | Very high | 95.8 | Very high | 103 Ų | 103 | 76.8 Ų | 76.8 | 48% | 0.477 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -117.5 | -10.5 | -171.6 | -59.4 | -72.3 | 0 | 0 | 0 | 114.5 | Y266 V272 | Y266-H270 AromaticContact CD2-CD2 3.43Å; Y266-H270 VanDerWaalsContact CD2-CD2 3.43Å; Y266-H270 WeakPolarHBondContact CD2-CD2 3.11Å; Y266-H270 AromaticContact CD2-NE2 3.87Å; Y266-H270 HydrophobicContact CE1-CB 4.24Å; Y266-H270 AromaticContact CE2-CD2 3.41Å; Y266-H270 VanDerWaalsContact CE2-CD2 3.41Å; Y266-H270 WeakPolarHBondContact CE2-CD2 3.25Å; Y266-H270 AromaticContact CE2-NE2 3.75Å; Y266-H270 AromaticContact CG-CD2 3.79Å; Y266-H270 AromaticContact CZ-CD2 3.75Å; Y266-H270 PolarHBondContact O-CD2 3.13Å; Y266-H270 PolarHBondContact O-N 3.49Å; H270-V272 HydrophobicContact CB-CG2 3.79Å; H270-V272 PolarHBondContact O-N 3.19Å |
| 271 | G | 96.2 | Very high | 95.3 | Very high | 63 Ų | 63 | 84.1 Ų | 84.1 | 65% | 0.649 | 46% | 0.459 | S | S | * | . | S | Bend | trans | 71.3 | 2.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | M267 | M267-G271 WeakPolarHBondContact O-CA 3.37Å; M267-G271 PolarHBondContact O-N 3.08Å |
| 272 | V | 96.3 | Very high | 94.9 | Very high | 74 Ų | 74 | 84.5 Ų | 84.5 | 45% | 0.448 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -127.8 | 152.1 | -175.3 | -71.9 | 0 | 0 | 0 | 0 | 112.1 | Y266 H270 | Y266-V272 VanDerWaalsContact CD1-O 3.31Å; Y266-V272 WeakPolarHBondContact CD1-O 3.48Å; Y266-V272 HydrophobicContact CE1-CG2 4.06Å; Y266-V272 WeakPolarHBondContact CE1-O 3.41Å; H270-V272 HydrophobicContact CB-CG2 3.79Å; H270-V272 PolarHBondContact O-N 3.19Å |
| 273 | P | 95.3 | Very high | 94.5 | Very high | 79 Ų | 79 | 86.9 Ų | 86.9 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 148.4 | 177.9 | 25 | -34.9 | 0 | 0 | 0 | 112.1 | Y266 M267 P275 | Y266-P273 WeakPolarHBondContact CE1-O 3.43Å; M267-P273 HydrophobicContact CE-CB 4.07Å; P273-P275 WeakPolarHBondContact O-CD 3.22Å |
| 274 | R | 96.9 | Very high | 94.1 | Very high | 48 Ų | 48 | 92.3 Ų | 92.3 | 18% | 0.181 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 122.2 | -175.9 | -170 | 173.7 | -178.7 | -92.6 | -3.2 | 110.7 | N241 C263 Y266 M278 | N241-R274 WeakPolarHBondContact OD1-CB 3.47Å; C263-R274 HydrophobicContact CB-CB 4.4Å; Y266-R274 VanDerWaalsContact CD1-CA 3.41Å; Y266-R274 HydrophobicContact CD1-CB 3.7Å; Y266-R274 HydrophobicContact CD1-CG 4.05Å; Y266-R274 HydrophobicContact CD2-CG 4.13Å; Y266-R274 HydrophobicContact CE1-CB 4.32Å; Y266-R274 HydrophobicContact CG-CB 3.88Å; Y266-R274 HydrophobicContact CG-CG 3.8Å; R274-M278 PolarHBondContact NH1-O 3.36Å; R274-M278 PolarHBondContact NH2-O 3.16Å |
| 275 | P | 95.9 | Very high | 93.6 | Very high | 56 Ų | 56 | 97.9 Ų | 97.9 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 137.2 | -178.7 | 26.3 | -33.7 | 0 | 0 | 0 | 111 | Y266 P273 A277 M278 | Y266-P275 VanDerWaalsContact CZ-CD 3.49Å; Y266-P275 WeakPolarHBondContact OH-CD 3.38Å; P273-P275 WeakPolarHBondContact O-CD 3.22Å; P275-A277 PolarHBondContact O-N 3.38Å; P275-M278 HydrophobicContact CG-CG 4Å; P275-M278 HydrophobicContact CG-SD 3.82Å; P275-M278 PolarHBondContact O-N 3.27Å |
| 276 | L | 94.5 | Very high | 93 | Very high | 115 Ų | 115 | 103.9 Ų | 103.9 | 60% | 0.602 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -63.7 | -25.3 | -175.7 | -64.1 | 179.7 | 0 | 0 | 0 | 113 | C242 M278 K279 | C242-L276 HydrophobicContact CB-CD2 4Å; L276-M278 PolarHBondContact O-N 3.28Å; L276-M278 VanDerWaalsContact O-N 3.12Å; L276-K279 WeakPolarHBondContact O-CB 3.24Å; L276-K279 PolarHBondContact O-N 2.84Å |
| 277 | A | 93.9 | Very high | 92.3 | Very high | 105 Ų | 105 | 112 Ų | 112 | 87% | 0.868 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -58.6 | -21.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P275 | P275-A277 PolarHBondContact O-N 3.38Š|
| 278 | M | 91.9 | Very high | 91.4 | Very high | 101 Ų | 101 | 118.8 Ų | 118.8 | 50% | 0.498 | 61% | 0.606 | S | S | . | * | G | 310 helix | trans | -90.9 | -1.3 | 173.1 | -61.1 | -178.3 | 85.9 | 0 | 0 | 113.3 | Y266 R274 P275 L276 | Y266-M278 HydrophobicContact CE2-SD 3.85Å; R274-M278 PolarHBondContact NH1-O 3.36Å; R274-M278 PolarHBondContact NH2-O 3.16Å; P275-M278 HydrophobicContact CG-CG 4Å; P275-M278 HydrophobicContact CG-SD 3.82Å; P275-M278 PolarHBondContact O-N 3.27Å; L276-M278 PolarHBondContact O-N 3.28Å; L276-M278 VanDerWaalsContact O-N 3.12Å |
| 279 | K | 91.9 | Very high | 90.6 | Very high | 80 Ų | 80 | 118.9 Ų | 118.9 | 35% | 0.348 | 61% | 0.607 | S | S | . | * | | | trans | -64.1 | 135.5 | 174.5 | -174.4 | 175.8 | 171.7 | 173.6 | 0 | 109.2 | C242 T244 L276 | C242-K279 PolarHBondContact O-NZ 2.89Å; T244-K279 WeakPolarHBondContact OG1-CE 3.5Å; L276-K279 WeakPolarHBondContact O-CB 3.24Å; L276-K279 PolarHBondContact O-N 2.84Å |
| 280 | K | 92.4 | Very high | 89.4 | Confident | 134 Ų | 134 | 117.9 Ų | 117.9 | 58% | 0.583 | 61% | 0.608 | S | S | * | * | | | trans | -123 | 136.4 | 169.3 | -177.8 | 170.1 | -178.6 | 161.7 | 0 | 108.2 | Q284 | K280-Q284 HydrophobicContact CD-CG 4.04Š|
| 281 | E | 86.3 | Confident | 88 | Confident | 161 Ų | 161 | 121.9 Ų | 121.9 | 75% | 0.752 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -67 | -39.9 | -174.7 | -156.4 | 53.5 | -144.8 | 0 | 0 | 112.8 | | |
| 282 | G | 87.6 | Confident | 85.8 | Confident | 43 Ų | 43 | 125.8 Ų | 125.8 | 44% | 0.443 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -95.7 | 135.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q284 | G282-Q284 PolarHBondContact O-N 2.94Š|
| 283 | I | 89.5 | Confident | 84.2 | Confident | 92 Ų | 92 | 128.8 Ų | 128.8 | 47% | 0.472 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -61 | 118 | 167.7 | -61.3 | 177.7 | 0 | 0 | 0 | 109.2 | T248 T285 | T248-I283 HydrophobicContact CG2-CD1 4.44Å; T248-I283 HydrophobicContact CG2-CG2 3.66Å; I283-T285 PolarHBondContact O-N 3.14Å |
| 284 | Q | 89.3 | Confident | 82 | Confident | 121 Ų | 121 | 132 Ų | 132 | 57% | 0.565 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 122.9 | 174.4 | -60 | -172.8 | 9.7 | 0 | 0 | 110.9 | K280 G282 | K280-Q284 HydrophobicContact CD-CG 4.04Å; G282-Q284 PolarHBondContact O-N 2.94Å |
| 285 | T | 86.8 | Confident | 79.6 | Confident | 135 Ų | 135 | 139 Ų | 139 | 83% | 0.828 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 151.5 | 166.3 | 56.8 | 0 | 0 | 0 | 0 | 110.2 | I283 | I283-T285 PolarHBondContact O-N 3.14Š|
| 286 | R | 84.5 | Confident | 77.3 | Confident | 209 Ų | 209 | 141.4 Ų | 141.4 | 79% | 0.789 | 71% | 0.706 | S | S | * | * | | | trans | -134 | 133.4 | 169.7 | -66.7 | -173 | 179.9 | -170.2 | -1 | 108.1 | R288 | R286-R288 PolarHBondContact O-N 3.47Š|
| 287 | K | 82.3 | Confident | 75 | Confident | 218 Ų | 218 | 145.3 Ų | 145.3 | 95% | 0.948 | 72% | 0.721 | S | S | * | * | | | trans | -66.2 | 96.2 | 178.4 | -171.9 | 175.1 | -177.4 | 177.2 | 0 | 109.4 | K289 | K287-K289 PolarHBondContact O-N 3.35Š|
| 288 | R | 78.6 | Confident | 72.6 | Confident | 233 Ų | 233 | 146.7 Ų | 146.7 | 88% | 0.879 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 127.2 | 174.5 | -69.3 | -178.7 | 173.1 | -178.5 | -3.1 | 108.5 | R286 | R286-R288 PolarHBondContact O-N 3.47Š|
| 289 | K | 79.1 | Confident | 70 | Confident | 194 Ų | 194 | 145.5 Ų | 145.5 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 138.1 | 163.2 | -68.2 | -176.4 | 177.4 | -177.5 | 0 | 107.8 | K287 K291 | K287-K289 PolarHBondContact O-N 3.35Å; K289-K291 PolarHBondContact O-N 3.38Å |
| 290 | P | 70.6 | Confident | 67.8 | Low | 111 Ų | 111 | 148.7 Ų | 148.7 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60 | 138.9 | 174.5 | 26.1 | -33.4 | 0 | 0 | 0 | 109.5 | N292 | P290-N292 PolarHBondContact O-N 3.37Š|
| 291 | K | 67.4 | Low | 65.5 | Low | 187 Ų | 187 | 151.4 Ų | 151.4 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | -77.5 | 114.3 | 168.7 | -76.1 | -169.6 | 172.2 | -168.1 | 0 | 107.7 | K289 L293 | K289-K291 PolarHBondContact O-N 3.38Å; K291-L293 HydrophobicContact CB-CD1 3.97Å; K291-L293 PolarHBondContact O-N 3.1Å; K291-L293 VanDerWaalsContact O-N 3.14Å |
| 292 | N | 52.1 | Low | 63.1 | Low | 145 Ų | 145 | 147.5 Ų | 147.5 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | | | trans | -63.9 | 112.2 | 166.5 | -64.9 | -30.8 | 0 | 0 | 0 | 107.7 | P290 N294 | P290-N292 PolarHBondContact O-N 3.37Å; N292-N294 PolarHBondContact O-N 3.16Å |
| 293 | L | 61.6 | Low | 60.9 | Low | 138 Ų | 138 | 150.2 Ų | 150.2 | 72% | 0.723 | 80% | 0.795 | S | S | * | * | | | trans | -86.7 | 12.7 | -176.7 | -115.9 | 67 | 0 | 0 | 0 | 112.7 | K291 K295 | K291-L293 HydrophobicContact CB-CD1 3.97Å; K291-L293 PolarHBondContact O-N 3.1Å; K291-L293 VanDerWaalsContact O-N 3.14Å; L293-K295 VanDerWaalsContact C-N 3.31Å; L293-K295 PolarHBondContact O-N 3.03Å |
| 294 | N | 49.8 | Very low | 59.2 | Low | 145 Ų | 145 | 151.7 Ų | 151.7 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | | | trans | -90.9 | 56.1 | -163.9 | -57.2 | 35 | 0 | 0 | 0 | 111.7 | N292 | N292-N294 PolarHBondContact O-N 3.16Š|
| 295 | K | 46.8 | Very low | 56.8 | Low | 196 Ų | 196 | 152.3 Ų | 152.3 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | | | trans | -150.7 | 61.2 | 170.6 | -153.6 | 74.1 | 175.1 | -179.7 | 0 | 111.5 | L293 Q297 | L293-K295 VanDerWaalsContact C-N 3.31Å; L293-K295 PolarHBondContact O-N 3.03Å; K295-Q297 PolarHBondContact O-N 2.87Å |
| 296 | S | 46.1 | Very low | 54.7 | Low | 106 Ų | 106 | 152 Ų | 152 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | | | trans | -58.9 | 117.5 | 163 | 47.2 | 0 | 0 | 0 | 0 | 109.2 | T298 | S296-T298 PolarHBondContact O-N 3.45Š|
| 297 | Q | 47.3 | Very low | 53.1 | Low | 197 Ų | 197 | 148.1 Ų | 148.1 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | | | trans | -86.4 | 90.7 | -174.6 | -174.4 | 172.1 | -9.2 | 0 | 0 | 110.4 | K295 | K295-Q297 PolarHBondContact O-N 2.87Š|
| 298 | T | 42.3 | Very low | 50.8 | Low | 134 Ų | 134 | 143.1 Ų | 143.1 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | | | trans | -99.1 | 120.9 | 169.8 | 49.4 | 0 | 0 | 0 | 0 | 109.8 | S296 | S296-T298 PolarHBondContact O-N 3.45Š|
| 299 | G | 38.9 | Very low | 49 | Very low | 76 Ų | 76 | 139 Ų | 139 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | | | trans | -178.5 | 119.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 300 | T | 44.3 | Very low | 47.5 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | | | trans | -97.1 | 171.5 | -169.5 | -44.9 | 0 | 0 | 0 | 0 | 112 | | |
| 301 | E | 44 | Very low | 46.4 | Very low | 191 Ų | 191 | 136.4 Ų | 136.4 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | | | trans | -82.4 | 162.9 | -170.7 | -56.1 | 172.3 | 113.2 | 0 | 0 | 115.6 | | |
| 302 | G | 36.3 | Very low | 45.1 | Very low | 79 Ų | 79 | 138.9 Ų | 138.9 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | | | trans | 95.9 | 142.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 303 | A | 41.8 | Very low | 44.4 | Very low | 101 Ų | 101 | 138 Ų | 138 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | | | cis | -156 | -177.1 | -0.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 304 | P | 53.5 | Low | 43.5 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | | | trans | -118.3 | 147.3 | -138.6 | 41.3 | -35.7 | 0 | 0 | 0 | 120 | | |
| 305 | V | 39.7 | Very low | 42.8 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | trans | -159.6 | 153.4 | 154.8 | -77.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 306 | T | 42.4 | Very low | 42.7 | Very low | 127 Ų | 127 | 132 Ų | 132 | 78% | 0.779 | 82% | 0.824 | S | S | * | * | | | cis | -156.7 | 156.9 | -18.5 | 20.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 307 | P | 51.3 | Low | 42.2 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | | | trans | -94.1 | 149 | -167.7 | 35.8 | -34.9 | 0 | 0 | 0 | 115.6 | | |
| 308 | S | 33.4 | Very low | 41.7 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | | | trans | -142.3 | 92 | 163.9 | -173.2 | 0 | 0 | 0 | 0 | 113 | | |
| 309 | I | 41.2 | Very low | 41.5 | Very low | 147 Ų | 147 | 125.9 Ų | 125.9 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | | | trans | 32 | 88.9 | 145.5 | -7 | 178.3 | 0 | 0 | 0 | 120.5 | | |
| 310 | T | 46 | Very low | 41.5 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | | | trans | 61.1 | 172.2 | 136.3 | 66.2 | 0 | 0 | 0 | 0 | 121 | | |
| 311 | P | 48.2 | Very low | 40.9 | Very low | 126 Ų | 126 | 126.6 Ų | 126.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | | -122.9 | -179.3 | -56.4 | 36.9 | -23.5 | 0 | 0 | 0 | 112.2 | | |
| 312 | R | 40.2 | Very low | 40.6 | Very low | 239 Ų | 239 | 123.5 Ų | 123.5 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | | | trans | -110.6 | 129.4 | -173.2 | 175.3 | -171.8 | -171.3 | -125.6 | 10.5 | 111.2 | | |
| 313 | S | 38.3 | Very low | 40.8 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | | | trans | -167.1 | 159.9 | 149.2 | -89.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 314 | S | 41.8 | Very low | 40.5 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | -85.1 | 155.8 | -175 | 51.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 315 | S | 35.5 | Very low | 39.7 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | | -163.6 | 174.9 | 128.6 | 60.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 316 | S | 43.6 | Very low | 39.6 | Very low | 117 Ų | 117 | 123 Ų | 123 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -139.2 | 126.2 | -171.1 | 57.2 | 0 | 0 | 0 | 0 | 113 | | |
| 317 | S | 37.1 | Very low | 39.2 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | | | trans | -165.4 | 130.4 | 166.4 | 39.9 | 0 | 0 | 0 | 0 | 106.3 | | |
| 318 | S | 36.5 | Very low | 38.4 | Very low | 106 Ų | 106 | 120.8 Ų | 120.8 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | | | | 52.9 | 130 | 72.5 | 78.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 319 | S | 38 | Very low | 38.7 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | cis | -158.4 | 156.8 | 30 | -49.1 | 0 | 0 | 0 | 0 | 115 | | |
| 320 | S | 38.3 | Very low | 38.6 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | 36.1 | 127.3 | 134.6 | 66.1 | 0 | 0 | 0 | 0 | 123.9 | | |
| 321 | T | 32.8 | Very low | 38.9 | Very low | 132 Ų | 132 | 122.6 Ų | 122.6 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | -169.9 | 143.1 | 139.8 | 28.8 | 0 | 0 | 0 | 0 | 106.8 | | |
| 322 | T | 36.8 | Very low | 38.2 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | cis | -163.1 | 173.9 | -17.2 | 8.8 | 0 | 0 | 0 | 0 | 104.8 | | |
| 323 | S | 40.1 | Very low | 37.7 | Very low | 94 Ų | 94 | 122.4 Ų | 122.4 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | cis | -164.1 | 151.5 | 19.1 | -1.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 324 | T | 35.1 | Very low | 37.5 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | | | trans | 38.5 | 141.5 | 139.8 | 2.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 325 | S | 38.5 | Very low | 36.9 | Very low | 97 Ų | 97 | 126.5 Ų | 126.5 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | cis | -153.7 | 153.7 | 24.2 | -50.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 326 | S | 36 | Very low | 36.9 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | trans | -11.9 | 154.1 | 148 | 58.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 327 | T | 34.9 | Very low | 36.3 | Very low | 130 Ų | 130 | 129 Ų | 129 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | | | cis | -149.5 | 168.9 | 35.2 | 44.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 328 | A | 33.7 | Very low | 37.4 | Very low | 79 Ų | 79 | 128.7 Ų | 128.7 | 65% | 0.653 | 74% | 0.743 | S | S | * | * | | | cis | 149.1 | 120.5 | -19.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 329 | V | 39.9 | Very low | 37.1 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | | | trans | 42.7 | 147.7 | 158 | -83.4 | 0 | 0 | 0 | 0 | 122 | | |
| 330 | E | 39.7 | Very low | 37.2 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | | | cis | -150.2 | 174.3 | 5.5 | -116.3 | -137.2 | 117.5 | 0 | 0 | 111.9 | | |
| 331 | P | 52 | Low | 37 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 66% | 0.662 | 75% | 0.752 | S | S | * | * | | | trans | -113.3 | 161 | -168.6 | 41.1 | -34.3 | 0 | 0 | 0 | 117.7 | | |
| 332 | R | 32.8 | Very low | 37.2 | Very low | 226 Ų | 226 | 137.5 Ų | 137.5 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | | | trans | -161.1 | 134.6 | 152.3 | -109 | -169.9 | -175.7 | -152.8 | 2.6 | 116.7 | | |
| 333 | Q | 30.7 | Very low | 37.2 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 63% | 0.626 | 75% | 0.748 | S | S | * | * | | | trans | 40.2 | 119.8 | 141.4 | -63 | 179.3 | -76.6 | 0 | 0 | 125.1 | | |
| 334 | I | 33 | Very low | 37.1 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | | | | 52.8 | 115.1 | 124.1 | -50.2 | 162.4 | 0 | 0 | 0 | 119.9 | | |
| 335 | K | 30.1 | Very low | 37 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 79% | 0.787 | 74% | 0.736 | S | S | * | * | | | | 175.9 | 152.7 | 99 | -145.4 | -174.8 | 173.8 | -176.9 | 0 | 114.6 | | |
| 336 | T | 35.1 | Very low | 37.1 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | | | trans | 37.8 | 114.1 | 153.2 | 40.7 | 0 | 0 | 0 | 0 | 123 | | |
| 337 | E | 32.2 | Very low | 37.1 | Very low | 184 Ų | 184 | 146.3 Ų | 146.3 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | | | | 48.2 | -179.4 | 119.7 | -121.5 | -152.8 | 151.5 | 0 | 0 | 121.3 | | |
| 338 | P | 58.5 | Low | 37 | Very low | 95 Ų | 95 | 143.5 Ų | 143.5 | 62% | 0.617 | 74% | 0.737 | S | S | * | * | | | | -121.1 | 170.5 | -121 | 41.7 | -24.9 | 0 | 0 | 0 | 115.1 | | |
| 339 | E | 30.7 | Very low | 38.1 | Very low | 189 Ų | 189 | 146 Ų | 146 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | | | trans | -155.8 | -178.8 | 134.9 | -127.6 | -172.7 | 94.5 | 0 | 0 | 113.5 | | |
| 340 | N | 39.7 | Very low | 38 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 64% | 0.642 | 74% | 0.741 | S | S | * | * | | | trans | -133.9 | 126.5 | -162.5 | 165.7 | 24.5 | 0 | 0 | 0 | 109.2 | | |
| 341 | H | 35.4 | Very low | 37.9 | Very low | 185 Ų | 185 | 143 Ų | 143 | 86% | 0.856 | 73% | 0.73 | S | S | * | * | | | trans | -140 | 148.9 | 168.6 | -108.9 | 49.5 | 0 | 0 | 0 | 112.1 | | |
| 342 | N | 35.9 | Very low | 37.1 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | | | trans | -146.3 | 175.6 | -169.5 | -139.1 | -47 | 0 | 0 | 0 | 108.3 | | |
| 343 | L | 38 | Very low | 37.2 | Very low | 148 Ų | 148 | 142 Ų | 142 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | | | trans | 73.1 | 154.3 | -174.4 | -42.8 | 164.7 | 0 | 0 | 0 | 112.3 | | |
| 344 | Y | 36.9 | Very low | 37.4 | Very low | 191 Ų | 191 | 140.9 Ų | 140.9 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | | | cis | -165 | 159.3 | 1.9 | -132.5 | -148.9 | 0 | 0 | 0 | 107.5 | | |
| 345 | T | 34.3 | Very low | 37.5 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 46% | 0.46 | 74% | 0.74 | S | S | . | * | | | cis | -174.3 | 176.6 | -24.4 | -169.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 346 | H | 39.9 | Very low | 38 | Very low | 140 Ų | 140 | 138 Ų | 138 | 65% | 0.648 | 74% | 0.744 | S | S | * | * | | | trans | 69.4 | 165.6 | 162.9 | -62.7 | 172.7 | 0 | 0 | 0 | 117.6 | | |
| 347 | H | 35.9 | Very low | 38.8 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | | | cis | -138.9 | 169.8 | 16.7 | -62.2 | -106.4 | 0 | 0 | 0 | 113.7 | | |
| 348 | G | 31.6 | Very low | 39 | Very low | 71 Ų | 71 | 133.9 Ų | 133.9 | 73% | 0.732 | 74% | 0.743 | S | S | * | * | | | trans | -158.5 | 170.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 349 | P | 58.5 | Low | 37.9 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | | | trans | -137.3 | 173.2 | 164.8 | 40.4 | -26.6 | 0 | 0 | 0 | 114.4 | | |
| 350 | H | 37.9 | Very low | 38.6 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 75% | 0.75 | 76% | 0.756 | S | S | * | * | | | cis | -168.1 | 86.6 | -35.4 | 179.4 | -88.3 | 0 | 0 | 0 | 111.2 | | |
| 351 | T | 36.6 | Very low | 38.5 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 61% | 0.607 | 76% | 0.762 | S | S | * | * | | | trans | 57.1 | 152.6 | 158.5 | 72.7 | 0 | 0 | 0 | 0 | 122.2 | | |
| 352 | Q | 34.5 | Very low | 38.6 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | | | | -161.6 | 173 | 117.1 | -97.6 | -50.4 | -20.7 | 0 | 0 | 111 | | |
| 353 | I | 35 | Very low | 38.7 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | | | trans | -126.5 | 145.1 | -156.3 | -56.1 | 158.1 | 0 | 0 | 0 | 112.6 | | |
| 354 | S | 36 | Very low | 38.4 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | 163.2 | 146.8 | 130.3 | -76.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 355 | A | 34.9 | Very low | 38.3 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | 78 | 151.6 | 146.1 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 356 | L | 40.5 | Very low | 38.4 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -123 | -179.4 | -178.2 | -78 | 174.4 | 0 | 0 | 0 | 107.8 | | |
| 357 | P | 51.2 | Low | 38.6 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | cis | -149.3 | 166.5 | 22.1 | 44.3 | -23.5 | 0 | 0 | 0 | 121 | | |
| 358 | A | 36.5 | Very low | 39.2 | Very low | 90 Ų | 90 | 127.9 Ų | 127.9 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | | | trans | 46.6 | 129.4 | 137.8 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 359 | Y | 36.8 | Very low | 39.3 | Very low | 230 Ų | 230 | 131.9 Ų | 131.9 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | | | | -140.7 | 156.1 | 113.7 | 62.2 | -88.1 | 0 | 0 | 0 | 111.9 | | |
| 360 | M | 44.1 | Very low | 38.2 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | | | trans | -93.9 | 170.3 | -179.8 | -76.5 | -176.1 | -178.1 | 0 | 0 | 110.7 | | |
| 361 | A | 38 | Very low | 37.9 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | cis | -163.9 | 171.4 | -22 | 0 | 0 | 0 | 0 | 0 | 104.9 | | |
| 362 | A | 36.6 | Very low | 37.8 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | | | | -174.2 | 158.7 | 59.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 363 | Q | 38.6 | Very low | 38.5 | Very low | 198 Ų | 198 | 132.7 Ų | 132.7 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | | | trans | 24.4 | 136.4 | 142.7 | -53.8 | 179.2 | 17.1 | 0 | 0 | 119.7 | | |
| 364 | G | 32.1 | Very low | 38.5 | Very low | 81 Ų | 81 | 129.9 Ų | 129.9 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | cis | 170.2 | 142.8 | 0.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 365 | G | 34.9 | Very low | 38.5 | Very low | 85 Ų | 85 | 127.9 Ų | 127.9 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | | | trans | -110 | 146.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 366 | A | 36.4 | Very low | 38.5 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | | | trans | -151.2 | 137.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 367 | I | 43 | Very low | 38.1 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | | | trans | -124.5 | 149.5 | 164.3 | 3.2 | 174 | 0 | 0 | 0 | 105 | | |
| 368 | P | 49.2 | Very low | 37.3 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 71% | 0.708 | 82% | 0.815 | S | S | * | * | | | | -158.3 | 167.7 | 71.2 | 41.5 | -20.2 | 0 | 0 | 0 | 119 | | |
| 369 | L | 35.1 | Very low | 37.3 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | | | trans | 52 | 117.2 | 138.5 | -68 | 170.6 | 0 | 0 | 0 | 123.5 | | |
| 370 | K | 33.5 | Very low | 37.2 | Very low | 172 Ų | 172 | 122.5 Ų | 122.5 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | | | | 96 | 127.8 | 110.3 | -177.6 | 171.2 | 177.2 | -174.6 | 0 | 121.9 | | |
| 371 | M | 32.1 | Very low | 36.8 | Very low | 164 Ų | 164 | 119.2 Ų | 119.2 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | | | trans | 88.2 | 147 | 161.5 | -69.2 | -70 | 99.3 | 0 | 0 | 122 | | |
| 372 | S | 35.1 | Very low | 36.7 | Very low | 108 Ų | 108 | 119.1 Ų | 119.1 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -93.9 | 175.1 | 166.9 | -58 | 0 | 0 | 0 | 0 | 109.7 | | |
| 373 | P | 49.6 | Very low | 36.6 | Very low | 132 Ų | 132 | 125 Ų | 125 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | | | cis | -153.4 | 173.3 | 33.8 | 44 | -22.4 | 0 | 0 | 0 | 120.9 | | |
| 374 | G | 35.4 | Very low | 36.6 | Very low | 80 Ų | 80 | 122 Ų | 122 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | 104.9 | 124.5 | 134.1 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 375 | G | 34.1 | Very low | 36.8 | Very low | 69 Ų | 69 | 126.7 Ų | 126.7 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | | | trans | 78.6 | 157.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 376 | H | 36.8 | Very low | 37.4 | Very low | 200 Ų | 200 | 128.6 Ų | 128.6 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | | | cis | -163.6 | 146.9 | -15.5 | -103.1 | -64.3 | 0 | 0 | 0 | 111.6 | | |
| 377 | G | 31.5 | Very low | 37.3 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | trans | 84.1 | 148.3 | 160 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 378 | G | 33.3 | Very low | 37.1 | Very low | 72 Ų | 72 | 133.2 Ų | 133.2 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | | | cis | 169.3 | 147.7 | -12.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 379 | S | 36.9 | Very low | 36.6 | Very low | 132 Ų | 132 | 136 Ų | 136 | 92% | 0.923 | 81% | 0.809 | S | S | * | * | | | trans | 68.7 | 151.1 | 164.8 | -76.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 380 | S | 35.6 | Very low | 37.1 | Very low | 103 Ų | 103 | 135.9 Ų | 135.9 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | | | cis | -154.6 | 160.5 | -2.1 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 381 | S | 34.3 | Very low | 37.8 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | | | trans | 56.5 | 161.3 | 146.6 | -84.2 | 0 | 0 | 0 | 0 | 123.4 | | |
| 382 | S | 36.7 | Very low | 38.1 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 64% | 0.643 | 81% | 0.806 | S | S | * | * | | | | -178.6 | 142.2 | -51.5 | 49.3 | 0 | 0 | 0 | 0 | 110 | | |
| 383 | K | 35.6 | Very low | 38.4 | Very low | 207 Ų | 207 | 137 Ų | 137 | 90% | 0.9 | 84% | 0.836 | S | S | * | * | | | trans | 161.5 | 136.8 | 136.4 | -91.2 | 171.6 | -178.9 | -177.8 | 0 | 111.7 | | |
| 384 | T | 36.8 | Very low | 37.8 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 83% | 0.834 | 84% | 0.835 | S | S | * | * | | | trans | -123.9 | 133.5 | 171.2 | 47.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 385 | E | 37.5 | Very low | 37.9 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 84% | 0.836 | 84% | 0.835 | S | S | * | * | | | trans | -84.2 | 130.2 | 174.2 | -65.8 | -177.2 | 115.6 | 0 | 0 | 111.2 | | |
| 386 | P | 48 | Very low | 38.2 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 81% | 0.812 | 84% | 0.842 | S | S | * | * | | | trans | -100.3 | 119.6 | 172.4 | 34.4 | -27.4 | 0 | 0 | 0 | 111.8 | | |
| 387 | W | 32.8 | Very low | 38.2 | Very low | 224 Ų | 224 | 140.9 Ų | 140.9 | 85% | 0.848 | 84% | 0.837 | S | S | * | * | | | trans | -101.9 | 102.5 | 167.3 | -85.3 | 92.2 | 0 | 0 | 0 | 111 | | |
| 388 | N | 40.1 | Very low | 38.7 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 79% | 0.786 | 84% | 0.837 | S | S | * | * | | | trans | 160.2 | 133.6 | 135.6 | -84.9 | -23.8 | 0 | 0 | 0 | 110.6 | | |
| 389 | N | 37.8 | Very low | 39 | Very low | 169 Ų | 169 | 149.5 Ų | 149.5 | 90% | 0.904 | 84% | 0.843 | S | S | * | * | | | trans | -152.2 | 127.7 | 152.8 | -105.1 | -34.2 | 0 | 0 | 0 | 108.9 | | |
| 390 | L | 46.5 | Very low | 39.2 | Very low | 152 Ų | 152 | 150.7 Ų | 150.7 | 80% | 0.796 | 84% | 0.838 | S | S | * | * | | | trans | -132 | 96.9 | 175 | -156.1 | 79.7 | 0 | 0 | 0 | 108.5 | | |
| 391 | I | 46.6 | Very low | 39.4 | Very low | 126 Ų | 126 | 154.4 Ų | 154.4 | 65% | 0.646 | 85% | 0.847 | S | S | * | * | | | trans | 72 | 141.8 | 130 | -66.4 | 179.4 | 0 | 0 | 0 | 119.6 | | |
| 392 | M | 39.2 | Very low | 39.9 | Very low | 174 Ų | 174 | 158.2 Ų | 158.2 | 86% | 0.857 | 85% | 0.854 | S | S | * | * | | | trans | 66.1 | 140.7 | 176.1 | -97.6 | 82.6 | 77.1 | 0 | 0 | 116.1 | | |
| 393 | A | 40.8 | Very low | 40.2 | Very low | 167 Ų | 167 | 164.2 Ų | 164.2 | 100% | 1.38 | 87% | 0.873 | S | S | * | * | | | cis | -145.2 | 0 | -4.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |