| 1 | M | 41.5 | Very low | 47.3 | Very low | 237 Ų | 237 | 129.3 Ų | 129.3 | 100% | 1.167 | 83% | 0.828 | S | S | * | * | | | | 0 | 139.1 | 0 | -70 | 151 | 69.5 | 0 | 0 | 107.6 | | |
| 2 | S | 46.8 | Very low | 47.1 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | | | trans | 38.7 | 130.3 | 162.6 | -46.6 | 0 | 0 | 0 | 0 | 118.9 | | |
| 3 | G | 42.3 | Very low | 46.9 | Very low | 64 Ų | 64 | 122.2 Ų | 122.2 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | | | cis | 69.5 | 130.3 | 46.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 4 | S | 53.7 | Low | 47.2 | Very low | 92 Ų | 92 | 123.1 Ų | 123.1 | 64% | 0.643 | 82% | 0.817 | S | S | * | * | | | cis | -166.2 | 141.2 | 19.5 | -73.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 5 | R | 50.7 | Low | 47.2 | Very low | 227 Ų | 227 | 122 Ų | 122 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | | | trans | 9.4 | 116.5 | 141.4 | 42.7 | -179.8 | 160.3 | -91.7 | -6.8 | 116.9 | | |
| 6 | Q | 49.1 | Very low | 47.6 | Very low | 196 Ų | 196 | 122.8 Ų | 122.8 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | | | trans | -88.2 | 115.7 | 151 | -169.2 | 175.8 | 10.7 | 0 | 0 | 108.5 | | |
| 7 | A | 47.1 | Very low | 47.4 | Very low | 88 Ų | 88 | 119.7 Ų | 119.7 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | trans | -88 | 144.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 8 | G | 44.8 | Very low | 47.3 | Very low | 84 Ų | 84 | 120.1 Ų | 120.1 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | | | trans | -155.3 | 67.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 9 | S | 49.8 | Very low | 47.6 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | -92.8 | 131.5 | -170.3 | 48.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 10 | G | 44.3 | Very low | 47.4 | Very low | 72 Ų | 72 | 119 Ų | 119 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | | | trans | 84.7 | 162.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 11 | S | 50.3 | Low | 47 | Very low | 127 Ų | 127 | 117.6 Ų | 117.6 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | | | cis | -173.3 | 159.6 | -3.3 | -92.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 12 | A | 45 | Very low | 47 | Very low | 104 Ų | 104 | 112.3 Ų | 112.3 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | cis | -162.4 | 174.7 | -6.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 13 | G | 44.3 | Very low | 46.8 | Very low | 62 Ų | 62 | 111.9 Ų | 111.9 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | | | trans | 147.9 | 88.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 14 | T | 51.1 | Low | 47 | Very low | 135 Ų | 135 | 116 Ų | 116 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | | | | 54.5 | 116.7 | 89.6 | 66.7 | 0 | 0 | 0 | 0 | 114 | | |
| 15 | S | 46.6 | Very low | 46.5 | Very low | 107 Ų | 107 | 117.5 Ų | 117.5 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | | | cis | -162 | 149.1 | 2 | -66 | 0 | 0 | 0 | 0 | 110.4 | | |
| 16 | P | 55 | Low | 46 | Very low | 134 Ų | 134 | 111.9 Ų | 111.9 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | | | trans | -97.4 | 128.3 | 160.6 | 34 | -26.8 | 0 | 0 | 0 | 111.1 | | |
| 17 | G | 43.5 | Very low | 45.5 | Very low | 71 Ų | 71 | 106.9 Ų | 106.9 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | | | trans | 158.7 | 153.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 18 | S | 44.7 | Very low | 45.1 | Very low | 127 Ų | 127 | 108 Ų | 108 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | cis | -155.2 | 156.3 | -8.3 | -84.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 19 | S | 53.5 | Low | 44.9 | Very low | 123 Ų | 123 | 109 Ų | 109 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | -68.1 | 145.7 | -177.6 | -43.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 20 | A | 44.3 | Very low | 44.4 | Very low | 95 Ų | 95 | 108.3 Ų | 108.3 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -148.3 | 99.5 | 144.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 21 | A | 38.8 | Very low | 44.4 | Very low | 89 Ų | 89 | 112.9 Ų | 112.9 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | | | | 65.5 | 101.7 | 71.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 22 | S | 42.2 | Very low | 43.7 | Very low | 127 Ų | 127 | 111.3 Ų | 111.3 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | trans | -164.3 | 115.2 | 142.8 | -80.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 23 | S | 41.8 | Very low | 43.5 | Very low | 111 Ų | 111 | 111.3 Ų | 111.3 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -79.5 | 145.4 | -179.2 | -45 | 0 | 0 | 0 | 0 | 111.5 | | |
| 24 | V | 47.1 | Very low | 43.6 | Very low | 151 Ų | 151 | 113.7 Ų | 113.7 | 92% | 0.915 | 79% | 0.788 | S | S | * | * | | | trans | -126.9 | 113.2 | 143.2 | -73 | 0 | 0 | 0 | 0 | 109.2 | | |
| 25 | T | 41.8 | Very low | 43.7 | Very low | 122 Ų | 122 | 112.8 Ų | 112.8 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | -82.9 | 159.3 | 176.6 | 22.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 26 | S | 40 | Very low | 43.6 | Very low | 109 Ų | 109 | 113.3 Ų | 113.3 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | 67.7 | 107.4 | 160.8 | -53.3 | 0 | 0 | 0 | 0 | 116 | | |
| 27 | A | 38.8 | Very low | 43.5 | Very low | 91 Ų | 91 | 112.2 Ų | 112.2 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | | 64.3 | 101.7 | 72.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 28 | S | 39.3 | Very low | 43.8 | Very low | 112 Ų | 112 | 114.5 Ų | 114.5 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | | 177.9 | 123.8 | 117.5 | -77.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 29 | S | 40.5 | Very low | 43.8 | Very low | 105 Ų | 105 | 114 Ų | 114 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | | 50.4 | 140.2 | 127.5 | -43.8 | 0 | 0 | 0 | 0 | 122.5 | | |
| 30 | S | 40 | Very low | 43.7 | Very low | 100 Ų | 100 | 115.2 Ų | 115.2 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | | | trans | 96.9 | 121.6 | 138.2 | -61.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 31 | L | 43.8 | Very low | 43.5 | Very low | 168 Ų | 168 | 115.5 Ų | 115.5 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | | | trans | 71.2 | 150.3 | 149.9 | -54.7 | 155.5 | 0 | 0 | 0 | 115.1 | | |
| 32 | S | 36.4 | Very low | 43.7 | Very low | 94 Ų | 94 | 117.2 Ų | 117.2 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | | | cis | -169.7 | 171.7 | -18.1 | 175 | 0 | 0 | 0 | 0 | 106.6 | | |
| 33 | S | 39.6 | Very low | 43.7 | Very low | 104 Ų | 104 | 117 Ų | 117 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | 78.1 | 113.9 | 152.2 | -48.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 34 | S | 47.8 | Very low | 43.7 | Very low | 112 Ų | 112 | 116 Ų | 116 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | trans | -47.2 | 161.6 | 149 | -40.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 35 | P | 51.6 | Low | 43.3 | Very low | 117 Ų | 117 | 114 Ų | 114 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | | -147.1 | 139.8 | 92 | 36.3 | -20 | 0 | 0 | 0 | 116 | | |
| 36 | S | 44.7 | Very low | 43.1 | Very low | 118 Ų | 118 | 112.6 Ų | 112.6 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -74.1 | 133 | 141.9 | -45 | 0 | 0 | 0 | 0 | 107.2 | | |
| 37 | P | 53.1 | Low | 43.2 | Very low | 111 Ų | 111 | 115.5 Ų | 115.5 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | | | | -156 | -160.6 | 101.4 | 43.3 | -22.8 | 0 | 0 | 0 | 111 | | |
| 38 | P | 50.3 | Low | 43.5 | Very low | 118 Ų | 118 | 118.1 Ų | 118.1 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | cis | -130.6 | 161.2 | -4 | 40.1 | -23.4 | 0 | 0 | 0 | 117.3 | | |
| 39 | S | 45.3 | Very low | 43.6 | Very low | 117 Ų | 117 | 118.3 Ų | 118.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -70.6 | 156.1 | 168.3 | -38.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 40 | V | 50.3 | Low | 43.6 | Very low | 148 Ų | 148 | 117 Ų | 117 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | | | trans | -115.2 | 109.5 | 161.3 | -84.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 41 | A | 40.8 | Very low | 43.6 | Very low | 102 Ų | 102 | 115.8 Ų | 115.8 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | 39.9 | 127.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 42 | V | 42.7 | Very low | 43.3 | Very low | 125 Ų | 125 | 115 Ų | 115 | 76% | 0.758 | 80% | 0.804 | S | S | * | * | | | trans | -86.4 | 156.9 | 164.8 | 136.6 | 0 | 0 | 0 | 0 | 111.8 | A44 | V42-A44 HydrophobicContact CG1-CB 3.8Š|
| 43 | S | 42.7 | Very low | 43.5 | Very low | 121 Ų | 121 | 114.6 Ų | 114.6 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | trans | -160.9 | 104.9 | 138.1 | -76.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 44 | A | 41.2 | Very low | 43.7 | Very low | 91 Ų | 91 | 118.3 Ų | 118.3 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | | | | 78.9 | 104.9 | 54.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V42 | V42-A44 HydrophobicContact CG1-CB 3.8Š|
| 45 | A | 38.9 | Very low | 43.2 | Very low | 110 Ų | 110 | 117.1 Ų | 117.1 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | | | trans | -138.8 | 139.8 | 151.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 46 | A | 38.1 | Very low | 42.8 | Very low | 92 Ų | 92 | 116.7 Ų | 116.7 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | | | trans | -110.5 | 146.5 | -155.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 47 | L | 42 | Very low | 42.4 | Very low | 170 Ų | 170 | 115 Ų | 115 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | | | trans | 33.8 | 124.7 | 137.9 | -53.2 | 173 | 0 | 0 | 0 | 119.4 | | |
| 48 | V | 43.6 | Very low | 42.4 | Very low | 146 Ų | 146 | 116 Ų | 116 | 89% | 0.885 | 83% | 0.826 | S | S | * | * | | | | -152.1 | 151.3 | 117.1 | 92.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 49 | S | 42.7 | Very low | 41.8 | Very low | 115 Ų | 115 | 114.1 Ų | 114.1 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | | | trans | -81.6 | 170.6 | -176.7 | -46.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 50 | G | 40.2 | Very low | 41.7 | Very low | 78 Ų | 78 | 112 Ų | 112 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | | | trans | 116.6 | 109.7 | 150 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 51 | G | 39.7 | Very low | 41.6 | Very low | 74 Ų | 74 | 113.8 Ų | 113.8 | 76% | 0.763 | 83% | 0.829 | S | S | * | * | | | trans | -92 | 154.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 52 | V | 37 | Very low | 41.5 | Very low | 151 Ų | 151 | 112.8 Ų | 112.8 | 92% | 0.915 | 83% | 0.828 | S | S | * | * | | | trans | -159.8 | 154.5 | 136.6 | -92.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 53 | A | 41.4 | Very low | 41.5 | Very low | 86 Ų | 86 | 110.4 Ų | 110.4 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | | | trans | -80.4 | 171.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 54 | Q | 44.8 | Very low | 41.9 | Very low | 183 Ų | 183 | 110.4 Ų | 110.4 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | | | trans | 112.1 | 135 | 149.5 | -59.2 | -71.8 | 52.1 | 0 | 0 | 119.5 | | |
| 55 | A | 36.7 | Very low | 42.1 | Very low | 86 Ų | 86 | 111.7 Ų | 111.7 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | | | trans | 72.6 | 100.8 | 140.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 56 | A | 43.5 | Very low | 42.7 | Very low | 108 Ų | 108 | 117 Ų | 117 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | | | | 41 | 114.2 | 114.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 57 | G | 36.8 | Very low | 43.4 | Very low | 82 Ų | 82 | 117.7 Ų | 117.7 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | | | trans | -157.7 | 140.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 58 | S | 51.9 | Low | 43.6 | Very low | 132 Ų | 132 | 116.3 Ų | 116.3 | 92% | 0.923 | 82% | 0.816 | S | S | * | * | | | trans | -120.1 | 159.7 | -164.4 | 47.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 59 | G | 38.5 | Very low | 43.9 | Very low | 79 Ų | 79 | 116.9 Ų | 116.9 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | | | trans | 111.1 | 126.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 60 | G | 43.5 | Very low | 44.3 | Very low | 73 Ų | 73 | 118.1 Ų | 118.1 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | | | cis | 96.4 | 127.4 | 42.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 61 | L | 47.2 | Very low | 44.8 | Very low | 186 Ų | 186 | 118.8 Ų | 118.8 | 97% | 0.974 | 81% | 0.814 | S | S | * | * | | | cis | -150.7 | 151.1 | 14.3 | -66.5 | 159.9 | 0 | 0 | 0 | 109.2 | | |
| 62 | G | 38.7 | Very low | 45.6 | Very low | 80 Ų | 80 | 121.4 Ų | 121.4 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | 159.5 | 101.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 63 | G | 43.1 | Very low | 46 | Very low | 76 Ų | 76 | 119.3 Ų | 119.3 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | | | trans | -78.5 | -175.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 64 | P | 50.7 | Low | 46.5 | Very low | 121 Ų | 121 | 122.1 Ų | 122.1 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | | | cis | -139.6 | 178.2 | 31.6 | 39.7 | -20.2 | 0 | 0 | 0 | 117.4 | | |
| 65 | V | 45.9 | Very low | 46.5 | Very low | 118 Ų | 118 | 119 Ų | 119 | 72% | 0.715 | 82% | 0.822 | S | S | * | * | | | trans | 70.2 | 116.6 | 164.5 | -157.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 66 | R | 50.1 | Low | 47 | Very low | 220 Ų | 220 | 118.2 Ų | 118.2 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | | | trans | -125.5 | 171.4 | 158.4 | -67.3 | -63.7 | 82.8 | 171.3 | 4.2 | 106.2 | | |
| 67 | P | 54.5 | Low | 47.3 | Very low | 107 Ų | 107 | 119.1 Ų | 119.1 | 70% | 0.695 | 82% | 0.822 | S | S | * | * | | | cis | -123.7 | -175.4 | 12.5 | 43.2 | -25.4 | 0 | 0 | 0 | 112.4 | | |
| 68 | V | 45.8 | Very low | 47.8 | Very low | 141 Ų | 141 | 119 Ų | 119 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | | | | -139.9 | 150.6 | 72.5 | 165.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 69 | L | 49.7 | Very low | 47.6 | Very low | 158 Ų | 158 | 116.8 Ų | 116.8 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | | | trans | -64.9 | 150.1 | -168.6 | -58.5 | 162.9 | 0 | 0 | 0 | 115.9 | | |
| 70 | V | 51.8 | Low | 47.9 | Very low | 142 Ų | 142 | 116.9 Ų | 116.9 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | | | trans | -78.5 | 144.1 | 158.1 | 166.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 71 | A | 49.8 | Very low | 48.2 | Very low | 91 Ų | 91 | 118 Ų | 118 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | | | trans | -143.3 | 141.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 72 | P | 56.6 | Low | 48.4 | Very low | 130 Ų | 130 | 115.4 Ų | 115.4 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | | | trans | -91.1 | 162.3 | 179.4 | 37 | -35.2 | 0 | 0 | 0 | 112.4 | | |
| 73 | A | 45.5 | Very low | 48.8 | Very low | 107 Ų | 107 | 117.3 Ų | 117.3 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | | | trans | -137.2 | 132.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 74 | V | 51.8 | Low | 49.2 | Very low | 144 Ų | 144 | 120.7 Ų | 120.7 | 87% | 0.873 | 82% | 0.82 | S | S | * | * | | | trans | -109.1 | 140.1 | -179.7 | 56.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 75 | S | 44.2 | Very low | 49.1 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | | | trans | -167.4 | 121.1 | 152.2 | -149.5 | 0 | 0 | 0 | 0 | 105.8 | | |
| 76 | G | 46.7 | Very low | 49.2 | Very low | 69 Ų | 69 | 120.9 Ų | 120.9 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | | | | 80.4 | 131.4 | 76.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 77 | S | 49.9 | Very low | 49.2 | Very low | 127 Ų | 127 | 114.2 Ų | 114.2 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | | | cis | -169.2 | 159.3 | 7.2 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 78 | G | 47.5 | Very low | 49 | Very low | 79 Ų | 79 | 118.5 Ų | 118.5 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | | | trans | 75.7 | 144.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 79 | G | 47.3 | Very low | 48.8 | Very low | 87 Ų | 87 | 119.8 Ų | 119.8 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | | | cis | 119.4 | 86.3 | 15.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 80 | G | 46.4 | Very low | 48.9 | Very low | 81 Ų | 81 | 118 Ų | 118 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | -160.3 | 84 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 81 | A | 49.3 | Very low | 48.4 | Very low | 97 Ų | 97 | 117.7 Ų | 117.7 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | | | trans | -73.4 | 158.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 82 | V | 50.3 | Low | 48.4 | Very low | 130 Ų | 130 | 118 Ų | 118 | 79% | 0.788 | 82% | 0.821 | S | S | * | * | | | trans | -22.1 | 146.8 | 168.5 | -56.8 | 0 | 0 | 0 | 0 | 117.4 | | |
| 83 | S | 47.6 | Very low | 47.5 | Very low | 120 Ų | 120 | 116.2 Ų | 116.2 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | | | | -160 | 104.9 | 127.3 | -84.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 84 | T | 51 | Low | 47.3 | Very low | 148 Ų | 148 | 122.5 Ų | 122.5 | 91% | 0.908 | 82% | 0.818 | S | S | * | * | | | trans | -64.2 | 128.1 | 156.5 | 46.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 85 | G | 50.3 | Low | 47.3 | Very low | 82 Ų | 82 | 120.8 Ų | 120.8 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | | | trans | -152.1 | 75 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 86 | L | 47.9 | Very low | 47.3 | Very low | 161 Ų | 161 | 120.7 Ų | 120.7 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -86.6 | 136.9 | 179.5 | 178.6 | 72.7 | 0 | 0 | 0 | 111.3 | | |
| 87 | S | 48.3 | Very low | 47.3 | Very low | 80 Ų | 80 | 122.7 Ų | 122.7 | 56% | 0.559 | 82% | 0.819 | S | S | * | * | | | trans | 67.1 | 156.3 | 163.4 | -69.1 | 0 | 0 | 0 | 0 | 117.2 | | |
| 88 | R | 51.8 | Low | 47.1 | Very low | 196 Ų | 196 | 120.3 Ų | 120.3 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | | | cis | -170 | 176 | -13.7 | -101.7 | 162 | -163.2 | -113.6 | 1.8 | 107.4 | | |
| 89 | H | 41.1 | Very low | 47.2 | Very low | 168 Ų | 168 | 124 Ų | 124 | 78% | 0.778 | 82% | 0.82 | S | S | * | * | | | trans | 87.2 | 122.8 | 153.5 | -57.9 | -62.2 | 0 | 0 | 0 | 119.2 | | |
| 90 | S | 51.5 | Low | 47 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | | | trans | -79.9 | 151.6 | 172.6 | -16 | 0 | 0 | 0 | 0 | 112.4 | | |
| 91 | C | 41.9 | Very low | 46.8 | Very low | 137 Ų | 137 | 122.5 Ų | 122.5 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | | | | -173.4 | 178.2 | 129.7 | 58.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 92 | A | 48.5 | Very low | 46.8 | Very low | 97 Ų | 97 | 123.9 Ų | 123.9 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | | | trans | -115.7 | 170.3 | -162.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 93 | A | 38.2 | Very low | 46.8 | Very low | 92 Ų | 92 | 122.8 Ų | 122.8 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | | | trans | 87.6 | 98.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 94 | R | 42.3 | Very low | 46.9 | Very low | 240 Ų | 240 | 122.3 Ų | 122.3 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | | | | 30.7 | 156.9 | 123.5 | -51.8 | -172 | 85 | -178.3 | 6 | 121.1 | | |
| 95 | P | 51.5 | Low | 46.7 | Very low | 107 Ų | 107 | 120.3 Ų | 120.3 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | | | cis | -136.9 | 171.8 | -5.6 | 34.4 | -13.3 | 0 | 0 | 0 | 117.7 | | |
| 96 | S | 43.6 | Very low | 46.6 | Very low | 117 Ų | 117 | 125 Ų | 125 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | 56.7 | 104.8 | 147.6 | -61.5 | 0 | 0 | 0 | 0 | 122.6 | | |
| 97 | A | 47 | Very low | 46.3 | Very low | 111 Ų | 111 | 121.2 Ų | 121.2 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | | | | 159.9 | 117 | 108.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 98 | G | 45.6 | Very low | 46.2 | Very low | 76 Ų | 76 | 123.4 Ų | 123.4 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | | | trans | 162 | 108 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 99 | V | 49.7 | Very low | 45.9 | Very low | 156 Ų | 156 | 117.1 Ų | 117.1 | 95% | 0.945 | 81% | 0.812 | S | S | * | * | | | trans | -16.2 | 139.8 | 165 | 59.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 100 | G | 42.6 | Very low | 46.6 | Very low | 70 Ų | 70 | 113.2 Ų | 113.2 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | 151.8 | 113 | 149.5 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 101 | G | 43.6 | Very low | 47 | Very low | 68 Ų | 68 | 117.3 Ų | 117.3 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | | | trans | 70.9 | 116.8 | 161 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 102 | S | 48.8 | Very low | 47.5 | Very low | 125 Ų | 125 | 120 Ų | 120 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | | 54.3 | 125.4 | 57.1 | -53.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 103 | S | 50 | Low | 48.1 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | cis | -157.9 | 160.5 | 27.1 | 53.4 | 0 | 0 | 0 | 0 | 116 | | |
| 104 | S | 48.5 | Very low | 48.5 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | | | trans | 60.4 | 91.3 | 146.9 | 57.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 105 | S | 47.4 | Very low | 49.2 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | | | trans | -65.4 | 169.9 | 153.4 | -38.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 106 | L | 48.6 | Very low | 49.2 | Very low | 180 Ų | 180 | 125.9 Ų | 125.9 | 94% | 0.942 | 80% | 0.802 | S | S | * | * | | | trans | 85.2 | 119.2 | 152.2 | -59.5 | 148 | 0 | 0 | 0 | 119.5 | | |
| 107 | G | 42.7 | Very low | 49.5 | Very low | 81 Ų | 81 | 124.4 Ų | 124.4 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | 131.9 | 125.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 108 | S | 44.3 | Very low | 50.1 | Low | 126 Ų | 126 | 124.1 Ų | 124.1 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | | | cis | -151.3 | 149.9 | -15.1 | -170.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 109 | G | 46.4 | Very low | 50.1 | Low | 64 Ų | 64 | 127.8 Ų | 127.8 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | | | trans | -82.8 | 175 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 110 | S | 55.6 | Low | 50.1 | Low | 86 Ų | 86 | 126 Ų | 126 | 60% | 0.601 | 78% | 0.78 | S | S | * | * | | | trans | 83 | 95.4 | 143 | -138 | 0 | 0 | 0 | 0 | 119.3 | | |
| 111 | R | 60.4 | Low | 50.3 | Low | 207 Ų | 207 | 129.5 Ų | 129.5 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | | | trans | 98.3 | 131.4 | 134.6 | -60.3 | 162.1 | -57.6 | -154.9 | 3.4 | 119.6 | | |
| 112 | K | 51.6 | Low | 50.5 | Low | 192 Ų | 192 | 130 Ų | 130 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | trans | 81.2 | 121 | 154.1 | -62.2 | 152 | -176.9 | -171.6 | 0 | 116.6 | | |
| 113 | R | 61.8 | Low | 50.5 | Low | 235 Ų | 235 | 131.8 Ų | 131.8 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 138.1 | 171.7 | -58 | 161.6 | 79 | 130.2 | -1.7 | 109.7 | | |
| 114 | P | 46.2 | Very low | 50.3 | Low | 125 Ų | 125 | 134.1 Ų | 134.1 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 146.5 | 140.9 | -14 | 31.8 | 0 | 0 | 0 | 110.9 | | |
| 115 | L | 58 | Low | 50.2 | Low | 143 Ų | 143 | 137.2 Ų | 137.2 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -86 | 162.7 | 168.2 | -81.6 | 179.9 | 0 | 0 | 0 | 111 | | |
| 116 | L | 50.7 | Low | 50.1 | Low | 158 Ų | 158 | 136.6 Ų | 136.6 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | 61.5 | 116.7 | 164 | -87.2 | 79.8 | 0 | 0 | 0 | 118.6 | | |
| 117 | A | 49.3 | Very low | 50.1 | Low | 85 Ų | 85 | 138.1 Ų | 138.1 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | | | | -157.8 | 126.7 | 119.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 118 | P | 60.2 | Low | 50.5 | Low | 106 Ų | 106 | 141.1 Ų | 141.1 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | | | trans | -86.4 | 116.2 | 176.7 | 32.3 | -30.3 | 0 | 0 | 0 | 110.7 | | |
| 119 | L | 46.5 | Very low | 50.3 | Low | 152 Ų | 152 | 141.7 Ų | 141.7 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | | | trans | -108.9 | 67.1 | 172 | -68.8 | -178.7 | 0 | 0 | 0 | 111.2 | N121 | L119-N121 PolarHBondContact O-N 2.76Š|
| 120 | C | 48.5 | Very low | 50.5 | Low | 120 Ų | 120 | 147.9 Ų | 147.9 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | trans | -74.8 | 64.9 | 164.4 | -53.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 121 | N | 46.7 | Very low | 49.9 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | | | trans | -120.6 | 75.1 | -176.3 | -99.6 | 97.1 | 0 | 0 | 0 | 113.1 | L119 | L119-N121 PolarHBondContact O-N 2.76Š|
| 122 | G | 48.8 | Very low | 49.2 | Very low | 78 Ų | 78 | 144.3 Ų | 144.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | 17.3 | 103.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 123 | L | 48.6 | Very low | 49.1 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | | | trans | -153.6 | 104.6 | 137 | -164.3 | 125.2 | 0 | 0 | 0 | 110.8 | | |
| 124 | I | 44.8 | Very low | 48.6 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | | | trans | -165.9 | 93.5 | 136.8 | 37.5 | 153.4 | 0 | 0 | 0 | 108.3 | S126 | I124-S126 PolarHBondContact O-N 3.03Š|
| 125 | N | 47.5 | Very low | 49.1 | Very low | 175 Ų | 175 | 131.2 Ų | 131.2 | 94% | 0.936 | 72% | 0.722 | S | S | * | * | | | trans | -74.8 | 102.9 | 158.7 | -77.3 | 24.3 | 0 | 0 | 0 | 107.7 | | |
| 126 | S | 45.5 | Very low | 49.1 | Very low | 93 Ų | 93 | 124.8 Ų | 124.8 | 65% | 0.65 | 69% | 0.689 | S | S | * | * | | | trans | -143.7 | 86.3 | 153.5 | -158.6 | 0 | 0 | 0 | 0 | 109.5 | I124 | I124-S126 PolarHBondContact O-N 3.03Š|
| 127 | Y | 47.7 | Very low | 49.4 | Very low | 212 Ų | 212 | 122 Ų | 122 | 83% | 0.831 | 68% | 0.68 | S | S | * | * | | | trans | -54.9 | 132.5 | 153.3 | -179.9 | -95.7 | 0 | 0 | 0 | 107.3 | | |
| 128 | E | 51.5 | Low | 49.6 | Very low | 144 Ų | 144 | 122.7 Ų | 122.7 | 67% | 0.673 | 67% | 0.671 | S | S | * | * | | | trans | 77.5 | 67.7 | -167.6 | -53.9 | -64.4 | 102.5 | 0 | 0 | 117.2 | | |
| 129 | D | 40.6 | Very low | 49.1 | Very low | 139 Ų | 139 | 119.4 Ų | 119.4 | 74% | 0.743 | 65% | 0.65 | S | S | * | * | | | | -145.3 | 159.7 | 128.9 | -160.5 | 22.3 | 0 | 0 | 0 | 111.8 | S131 | D129-S131 VanDerWaalsContact C-N 3.33Å; D129-S131 PolarHBondContact O-N 2.78Å |
| 130 | K | 50.9 | Low | 49.5 | Very low | 194 Ų | 194 | 120.1 Ų | 120.1 | 84% | 0.843 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -83.2 | 24.8 | -151.3 | -140.5 | 73.7 | 170.4 | -173.5 | 0 | 117.4 | | |
| 131 | S | 42.3 | Very low | 49.6 | Very low | 78 Ų | 78 | 117.5 Ų | 117.5 | 55% | 0.545 | 63% | 0.625 | S | S | . | * | | | trans | -128.6 | 95.6 | 178.1 | 54.2 | 0 | 0 | 0 | 0 | 112 | D129 D133 | D129-S131 VanDerWaalsContact C-N 3.33Å; D129-S131 PolarHBondContact O-N 2.78Å; S131-D133 PolarHBondContact O-N 3.38Å |
| 132 | N | 45 | Very low | 50.1 | Low | 139 Ų | 139 | 116.8 Ų | 116.8 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | | | trans | -75.6 | 102.2 | 157.6 | -95 | -110.3 | 0 | 0 | 0 | 107 | F134 | N132-F134 VanDerWaalsContact C-N 3.29Å; N132-F134 HydrophobicContact CB-CE2 4.34Å; N132-F134 VanDerWaalsContact O-CD2 3.27Å; N132-F134 WeakPolarHBondContact O-CD2 3.36Å; N132-F134 PolarHBondContact O-N 2.91Å |
| 133 | D | 49.3 | Very low | 50.5 | Low | 83 Ų | 83 | 113.7 Ų | 113.7 | 44% | 0.444 | 58% | 0.584 | S | S | . | * | | | trans | -66.1 | 89.8 | 178.6 | -62.2 | -40.1 | 0 | 0 | 0 | 110.3 | S131 V135 M142 | S131-D133 PolarHBondContact O-N 3.38Å; D133-V135 HydrophobicContact CB-CG2 3.8Å; D133-V135 WeakPolarHBondContact O-CG2 3.4Å; D133-V135 PolarHBondContact O-N 3.35Å; D133-M142 HydrophobicContact CB-CB 4.43Å; D133-M142 HydrophobicContact CB-CG 4.12Å; D133-M142 WeakPolarHBondContact OD1-CG 3.5Å |
| 134 | F | 52.3 | Low | 50.7 | Low | 133 Ų | 133 | 115.3 Ų | 115.3 | 58% | 0.583 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -63.6 | 89.4 | 157 | -63.9 | -78 | 0 | 0 | 0 | 106.1 | N132 I143 F155 | N132-F134 VanDerWaalsContact C-N 3.29Å; N132-F134 HydrophobicContact CB-CE2 4.34Å; N132-F134 VanDerWaalsContact O-CD2 3.27Å; N132-F134 WeakPolarHBondContact O-CD2 3.36Å; N132-F134 PolarHBondContact O-N 2.91Å; F134-I143 HydrophobicContact CB-CB 4.2Å; F134-I143 WeakPolarHBondContact O-CB 3.41Å; F134-I143 WeakPolarHBondContact O-CD1 3.49Å; F134-I143 WeakPolarHBondContact O-CG1 3.24Å; F134-I143 PolarHBondContact O-N 3.09Å; F134-I143 VanDerWaalsContact O-N 3.08Å; F134-F155 HydrophobicContact CB-CZ 4.47Å |
| 135 | V | 57.3 | Low | 50.8 | Low | 62 Ų | 62 | 115.9 Ų | 115.9 | 38% | 0.376 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.4 | 134.9 | -179.1 | -173 | 0 | 0 | 0 | 0 | 109.2 | D133 P137 F140 D141 | D133-V135 HydrophobicContact CB-CG2 3.8Å; D133-V135 WeakPolarHBondContact O-CG2 3.4Å; D133-V135 PolarHBondContact O-N 3.35Å; V135-P137 VanDerWaalsContact O-CD 3.28Å; V135-P137 WeakPolarHBondContact O-CD 3.33Å; V135-F140 VanDerWaalsContact CG1-C 3.44Å; V135-F140 HydrophobicContact CG1-CB 4.46Å; V135-F140 HydrophobicContact CG1-CD1 4.36Å; V135-D141 WeakPolarHBondContact CA-O 3.49Å |
| 136 | C | 57.5 | Low | 51.1 | Low | 8 Ų | 8 | 112 Ų | 112 | 5% | 0.054 | 58% | 0.578 | C | S | . | * | | | trans | -68.4 | 118 | 170.8 | -168.2 | 0 | 0 | 0 | 0 | 109.3 | I138 C139 F140 D141 I143 | C136-I138 PolarHBondContact O-N 3.3Å; C136-C139 HydrophobicContact CB-CB 3.9Å; C136-C139 PolarHBondContact O-N 3.45Å; C136-C139 PolarHBondContact SG-SG 3.36Å; C136-F140 PolarHBondContact O-N 3.46Å; C136-D141 PolarHBondContact N-O 2.95Å; C136-I143 HydrophobicContact CB-CD1 3.9Å |
| 137 | P | 57 | Low | 51.3 | Low | 98 Ų | 98 | 116 Ų | 116 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -8.2 | -176 | 27.7 | -35.9 | 0 | 0 | 0 | 114.1 | V135 | V135-P137 VanDerWaalsContact O-CD 3.28Å; V135-P137 WeakPolarHBondContact O-CD 3.33Å |
| 138 | I | 53.6 | Low | 51.2 | Low | 101 Ų | 101 | 114 Ų | 114 | 52% | 0.518 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.7 | -29.8 | 176.3 | -59 | 165.6 | 0 | 0 | 0 | 111.3 | C136 | C136-I138 PolarHBondContact O-N 3.3Š|
| 139 | C | 48.6 | Very low | 51.1 | Low | 36 Ų | 36 | 108.2 Ų | 108.2 | 24% | 0.243 | 56% | 0.555 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -116.6 | -13.1 | -165.7 | -39.6 | 0 | 0 | 0 | 0 | 112.8 | C136 D141 C151 | C136-C139 HydrophobicContact CB-CB 3.9Å; C136-C139 PolarHBondContact O-N 3.45Å; C136-C139 PolarHBondContact SG-SG 3.36Å; C139-D141 PolarHBondContact O-N 3.48Å; C139-C151 HydrophobicContact CB-CB 4.15Å; C139-C151 WeakPolarHBondContact CB-SG 3.23Å; C139-C151 WeakPolarHBondContact SG-CB 3.45Å; C139-C151 CovalentContact SG-SG 2.04Å; C139-C151 PolarHBondContact SG-SG 3.13Å |
| 140 | F | 55 | Low | 51.5 | Low | 168 Ų | 168 | 109.8 Ų | 109.8 | 74% | 0.737 | 56% | 0.555 | S | S | * | * | | | trans | 53.4 | 13.6 | -176.8 | -72.7 | -83.8 | 0 | 0 | 0 | 116.2 | V135 C136 | V135-F140 VanDerWaalsContact CG1-C 3.44Å; V135-F140 HydrophobicContact CG1-CB 4.46Å; V135-F140 HydrophobicContact CG1-CD1 4.36Å; C136-F140 PolarHBondContact O-N 3.46Å |
| 141 | D | 50.4 | Low | 51.6 | Low | 64 Ų | 64 | 102.6 Ų | 102.6 | 34% | 0.342 | 53% | 0.529 | S | S | . | . | | | trans | -85.8 | 142.6 | 171.2 | -90.4 | -66.8 | 0 | 0 | 0 | 112.1 | V135 C136 C139 K150 | V135-D141 WeakPolarHBondContact CA-O 3.49Å; C136-D141 PolarHBondContact N-O 2.95Å; C139-D141 PolarHBondContact O-N 3.48Å; D141-K150 IonicContact OD1-NZ 2.71Å; D141-K150 PolarHBondContact OD1-NZ 3.41Å; D141-K150 WeakPolarHBondContact OD2-CE 3.45Å; D141-K150 IonicContact OD2-NZ 2.88Å; D141-K150 PolarHBondContact OD2-NZ 2.96Å |
| 142 | M | 58.3 | Low | 51.8 | Low | 129 Ų | 129 | 101.8 Ų | 101.8 | 64% | 0.635 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 143.2 | 170.3 | -51.7 | 176.6 | -49.8 | 0 | 0 | 109.8 | D133 | D133-M142 HydrophobicContact CB-CB 4.43Å; D133-M142 HydrophobicContact CB-CG 4.12Å; D133-M142 WeakPolarHBondContact OD1-CG 3.5Å |
| 143 | I | 57.8 | Low | 52.2 | Low | 13 Ų | 13 | 99.5 Ų | 99.5 | 7% | 0.067 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 104.4 | -175.7 | -53.8 | 168.8 | 0 | 0 | 0 | 108.1 | F134 C136 T149 F155 | F134-I143 HydrophobicContact CB-CB 4.2Å; F134-I143 WeakPolarHBondContact O-CB 3.41Å; F134-I143 WeakPolarHBondContact O-CD1 3.49Å; F134-I143 WeakPolarHBondContact O-CG1 3.24Å; F134-I143 PolarHBondContact O-N 3.09Å; F134-I143 VanDerWaalsContact O-N 3.08Å; C136-I143 HydrophobicContact CB-CD1 3.9Å; I143-T149 HydrophobicContact CB-CG2 4.28Å; I143-T149 HydrophobicContact CD1-CG2 3.3Å; I143-T149 HydrophobicContact CG1-CG2 3.42Å; I143-T149 VanDerWaalsContact CG1-CG2 3.42Å; I143-T149 HydrophobicContact CG2-CG2 3.9Å; I143-F155 HydrophobicContact CD1-CE1 4.44Å; I143-F155 HydrophobicContact CD1-CE2 3.65Å; I143-F155 HydrophobicContact CD1-CZ 3.35Å; I143-F155 HydrophobicContact CG2-CE2 4.1Å; I143-F155 HydrophobicContact CG2-CZ 4.3Å |
| 144 | E | 52.3 | Low | 52 | Low | 197 Ų | 197 | 98.6 Ų | 98.6 | 92% | 0.921 | 52% | 0.517 | S | S | * | . | | | trans | -75.9 | -26.5 | -165 | -165.9 | 169 | 177 | 0 | 0 | 113.6 | | |
| 145 | E | 45.5 | Very low | 51.8 | Low | 167 Ų | 167 | 98.1 Ų | 98.1 | 78% | 0.78 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -149.1 | 157.2 | 177 | -125.1 | 172.7 | 177.2 | 0 | 0 | 112.4 | Y147 | E145-Y147 PolarHBondContact O-N 2.86Š|
| 146 | A | 54.8 | Low | 51.3 | Low | 93 Ų | 93 | 102 Ų | 102 | 77% | 0.769 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -76.6 | 36.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 147 | Y | 49.3 | Very low | 50.8 | Low | 178 Ų | 178 | 107.7 Ų | 107.7 | 70% | 0.698 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -165.4 | 121.3 | 150.7 | -115.7 | -84.3 | 0 | 0 | 0 | 110.6 | E145 | E145-Y147 PolarHBondContact O-N 2.86Š|
| 148 | M | 45.9 | Very low | 50.5 | Low | 171 Ų | 171 | 109.8 Ų | 109.8 | 84% | 0.842 | 55% | 0.554 | S | S | * | * | | | trans | 104.1 | 106.1 | 167.8 | -56.6 | -169.1 | 75.3 | 0 | 0 | 117.4 | | |
| 149 | T | 50.2 | Low | 50.3 | Low | 21 Ų | 21 | 107.6 Ų | 107.6 | 13% | 0.129 | 54% | 0.542 | C | S | . | . | | | trans | -95.2 | 150.6 | 159.7 | 69.9 | 0 | 0 | 0 | 0 | 110.2 | I143 C151 G152 F155 | I143-T149 HydrophobicContact CB-CG2 4.28Å; I143-T149 HydrophobicContact CD1-CG2 3.3Å; I143-T149 HydrophobicContact CG1-CG2 3.42Å; I143-T149 VanDerWaalsContact CG1-CG2 3.42Å; I143-T149 HydrophobicContact CG2-CG2 3.9Å; T149-C151 PolarHBondContact O-N 3.05Å; T149-C151 PolarHBondContact OG1-SG 3.48Å; T149-C151 VanDerWaalsContact OG1-SG 3.35Å; T149-G152 PolarHBondContact O-N 2.86Å; T149-F155 HydrophobicContact CG2-CE2 4.44Å |
| 150 | K | 48.9 | Very low | 50.5 | Low | 173 Ų | 173 | 111.8 Ų | 111.8 | 75% | 0.752 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -2.9 | 175.2 | 55.8 | -178 | -178.1 | -84.7 | 0 | 115.3 | D141 | D141-K150 IonicContact OD1-NZ 2.71Å; D141-K150 PolarHBondContact OD1-NZ 3.41Å; D141-K150 WeakPolarHBondContact OD2-CE 3.45Å; D141-K150 IonicContact OD2-NZ 2.88Å; D141-K150 PolarHBondContact OD2-NZ 2.96Å |
| 151 | C | 51.4 | Low | 50.7 | Low | 42 Ų | 42 | 108.7 Ų | 108.7 | 28% | 0.284 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.4 | 8.4 | 172.7 | 54.6 | 0 | 0 | 0 | 0 | 114.4 | C139 T149 H153 | C139-C151 HydrophobicContact CB-CB 4.15Å; C139-C151 WeakPolarHBondContact CB-SG 3.23Å; C139-C151 WeakPolarHBondContact SG-CB 3.45Å; C139-C151 CovalentContact SG-SG 2.04Å; C139-C151 PolarHBondContact SG-SG 3.13Å; T149-C151 PolarHBondContact O-N 3.05Å; T149-C151 PolarHBondContact OG1-SG 3.48Å; T149-C151 VanDerWaalsContact OG1-SG 3.35Å; C151-H153 PolarHBondContact O-N 3.32Å; C151-H153 PolarHBondContact O-ND1 3.34Å |
| 152 | G | 48.1 | Very low | 50.9 | Low | 61 Ų | 61 | 110.8 Ų | 110.8 | 63% | 0.629 | 57% | 0.566 | S | S | * | * | | | trans | 69.2 | 4.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | T149 S154 | T149-G152 PolarHBondContact O-N 2.86Å; G152-S154 VanDerWaalsContact C-N 3.35Å; G152-S154 PolarHBondContact O-N 3.24Å |
| 153 | H | 52.9 | Low | 50.9 | Low | 91 Ų | 91 | 111.2 Ų | 111.2 | 42% | 0.421 | 56% | 0.562 | S | S | . | * | | | trans | -78.8 | 82.1 | 177.4 | -61.6 | 126.9 | 0 | 0 | 0 | 110.7 | C151 F155 | C151-H153 PolarHBondContact O-N 3.32Å; C151-H153 PolarHBondContact O-ND1 3.34Å; H153-F155 PolarHBondContact O-N 2.91Å |
| 154 | S | 44.1 | Very low | 51.3 | Low | 64 Ų | 64 | 116.9 Ų | 116.9 | 45% | 0.448 | 58% | 0.582 | S | S | . | * | | | trans | -53.6 | 123.8 | 169.3 | -56.3 | 0 | 0 | 0 | 0 | 109.9 | G152 W156 N157 | G152-S154 VanDerWaalsContact C-N 3.35Å; G152-S154 PolarHBondContact O-N 3.24Å; S154-W156 PolarHBondContact O-N 3.49Å; S154-N157 PolarHBondContact O-N 3.31Å |
| 155 | F | 49.9 | Very low | 51.9 | Low | 123 Ų | 123 | 115.3 Ų | 115.3 | 54% | 0.539 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -53 | -12.5 | -172 | -86 | -103.8 | 0 | 0 | 0 | 116 | F134 I143 T149 H153 | F134-F155 HydrophobicContact CB-CZ 4.47Å; I143-F155 HydrophobicContact CD1-CE1 4.44Å; I143-F155 HydrophobicContact CD1-CE2 3.65Å; I143-F155 HydrophobicContact CD1-CZ 3.35Å; I143-F155 HydrophobicContact CG2-CE2 4.1Å; I143-F155 HydrophobicContact CG2-CZ 4.3Å; T149-F155 HydrophobicContact CG2-CE2 4.44Å; H153-F155 PolarHBondContact O-N 2.91Å |
| 156 | W | 46.1 | Very low | 53.1 | Low | 144 Ų | 144 | 111.7 Ų | 111.7 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -74 | -25.6 | -178.2 | -156.9 | -102.2 | 0 | 0 | 0 | 114.9 | S154 M159 | S154-W156 PolarHBondContact O-N 3.49Å; W156-M159 HydrophobicContact CD2-SD 4.46Å; W156-M159 HydrophobicContact CE3-SD 4.48Å; W156-M159 HydrophobicContact CH2-SD 4.28Å; W156-M159 HydrophobicContact CZ2-SD 4.26Å; W156-M159 HydrophobicContact CZ3-SD 4.39Å |
| 157 | N | 47.4 | Very low | 53.9 | Low | 128 Ų | 128 | 114 Ų | 114 | 68% | 0.684 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -88.4 | -4.8 | -176.1 | -72.7 | -51.6 | 0 | 0 | 0 | 114.4 | S154 | S154-N157 PolarHBondContact O-N 3.31Š|
| 158 | H | 50.3 | Low | 55 | Low | 142 Ų | 142 | 110 Ų | 110 | 66% | 0.657 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -114 | 22.7 | 171.4 | -139.7 | -83 | 0 | 0 | 0 | 113.2 | Q160 | H158-Q160 PolarHBondContact O-N 3.05Š|
| 159 | M | 49.5 | Very low | 56.4 | Low | 54 Ų | 54 | 104.9 Ų | 104.9 | 27% | 0.266 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -54.3 | 112.8 | 152.7 | -109.9 | 164.6 | 77.1 | 0 | 0 | 106.9 | W156 Y163 W167 | W156-M159 HydrophobicContact CD2-SD 4.46Å; W156-M159 HydrophobicContact CE3-SD 4.48Å; W156-M159 HydrophobicContact CH2-SD 4.28Å; W156-M159 HydrophobicContact CZ2-SD 4.26Å; W156-M159 HydrophobicContact CZ3-SD 4.39Å; M159-Y163 HydrophobicContact CG-CG 4.24Å; M159-W167 HydrophobicContact CE-CB 4.36Å |
| 160 | Q | 52.3 | Low | 57.6 | Low | 125 Ų | 125 | 107 Ų | 107 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | | | trans | -51.5 | 153.2 | -177.2 | -68.5 | -160 | -13.6 | 0 | 0 | 111 | H158 N162 Y163 R164 | H158-Q160 PolarHBondContact O-N 3.05Å; Q160-N162 PolarHBondContact O-N 3.4Å; Q160-Y163 HydrophobicContact CB-CD2 4.46Å; Q160-Y163 WeakPolarHBondContact O-CB 3.38Å; Q160-Y163 PolarHBondContact O-N 2.97Å; Q160-R164 PolarHBondContact O-N 3.37Å |
| 161 | P | 58.4 | Low | 59.1 | Low | 102 Ų | 102 | 106.5 Ų | 106.5 | 66% | 0.662 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -49.9 | -32.6 | -176.2 | 15.8 | -31 | 0 | 0 | 0 | 113.5 | Y163 R164 F165 | P161-Y163 PolarHBondContact O-N 2.87Å; P161-R164 PolarHBondContact O-N 2.93Å; P161-F165 PolarHBondContact O-N 3.37Å; P161-F165 VanDerWaalsContact O-N 3.09Å |
| 162 | N | 55.9 | Low | 60.3 | Low | 108 Ų | 108 | 108.6 Ų | 108.6 | 58% | 0.578 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -54.1 | -47.3 | 172.3 | -150.7 | -73.3 | 0 | 0 | 0 | 113.2 | Q160 F165 L166 | Q160-N162 PolarHBondContact O-N 3.4Å; N162-F165 WeakPolarHBondContact O-CB 3.43Å; N162-F165 PolarHBondContact O-N 2.9Å; N162-L166 WeakPolarHBondContact O-CG 3.48Å; N162-L166 PolarHBondContact O-N 2.88Å |
| 163 | Y | 58.4 | Low | 61.6 | Low | 139 Ų | 139 | 111.1 Ų | 111.1 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.8 | -30.7 | 179.3 | -81.1 | -83.6 | 0 | 0 | 0 | 113.8 | M159 Q160 P161 L166 W167 | M159-Y163 HydrophobicContact CG-CG 4.24Å; Q160-Y163 HydrophobicContact CB-CD2 4.46Å; Q160-Y163 WeakPolarHBondContact O-CB 3.38Å; Q160-Y163 PolarHBondContact O-N 2.97Å; P161-Y163 PolarHBondContact O-N 2.87Å; Y163-L166 PolarHBondContact O-N 3.26Å; Y163-W167 WeakPolarHBondContact O-CB 3.22Å; Y163-W167 PolarHBondContact O-N 3.11Å |
| 164 | R | 65.3 | Low | 62.7 | Low | 131 Ų | 131 | 111.6 Ų | 111.6 | 49% | 0.494 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.6 | -38.6 | 172.7 | -176.6 | 63.4 | 67.9 | 106.7 | 1.2 | 111.2 | Q160 P161 N168 | Q160-R164 PolarHBondContact O-N 3.37Å; P161-R164 PolarHBondContact O-N 2.93Å; R164-N168 WeakPolarHBondContact O-CB 3.45Å; R164-N168 PolarHBondContact O-N 3.48Å; R164-N168 VanDerWaalsContact O-N 3.13Å |
| 165 | F | 66.2 | Low | 64.5 | Low | 165 Ų | 165 | 114.1 Ų | 114.1 | 72% | 0.724 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.6 | -46.5 | 171.5 | -96.7 | -86.1 | 0 | 0 | 0 | 111.8 | P161 N162 N168 S169 | P161-F165 PolarHBondContact O-N 3.37Å; P161-F165 VanDerWaalsContact O-N 3.09Å; N162-F165 WeakPolarHBondContact O-CB 3.43Å; N162-F165 PolarHBondContact O-N 2.9Å; F165-N168 PolarHBondContact O-N 3.29Å; F165-S169 VanDerWaalsContact O-CB 3.23Å; F165-S169 WeakPolarHBondContact O-CB 3.25Å; F165-S169 PolarHBondContact O-N 3.44Å |
| 166 | L | 69.3 | Low | 65.9 | Low | 90 Ų | 90 | 113.7 Ų | 113.7 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 176.9 | -71.6 | 168.4 | 0 | 0 | 0 | 112.2 | N162 Y163 N168 S169 S170 | N162-L166 WeakPolarHBondContact O-CG 3.48Å; N162-L166 PolarHBondContact O-N 2.88Å; Y163-L166 PolarHBondContact O-N 3.26Å; L166-N168 PolarHBondContact O-N 3.29Å; L166-S169 PolarHBondContact O-N 3.44Å; L166-S170 WeakPolarHBondContact O-CB 3.24Å; L166-S170 PolarHBondContact O-N 3.16Å; L166-S170 PolarHBondContact O-OG 3.4Å; L166-S170 VanDerWaalsContact O-OG 3.12Å |
| 167 | W | 71.4 | Confident | 67.4 | Low | 142 Ų | 142 | 113.7 Ų | 113.7 | 54% | 0.538 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 176.5 | 179.5 | -91.7 | 0 | 0 | 0 | 112.7 | M159 Y163 R171 | M159-W167 HydrophobicContact CE-CB 4.36Å; Y163-W167 WeakPolarHBondContact O-CB 3.22Å; Y163-W167 PolarHBondContact O-N 3.11Å; W167-R171 PolarHBondContact O-N 2.88Å; W167-R171 VanDerWaalsContact O-N 3.16Å |
| 168 | N | 74.1 | Confident | 68.8 | Low | 93 Ų | 93 | 113.4 Ų | 113.4 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 178.3 | -162 | -53.3 | 0 | 0 | 0 | 111.1 | R164 F165 L166 S170 R171 L172 | R164-N168 WeakPolarHBondContact O-CB 3.45Å; R164-N168 PolarHBondContact O-N 3.48Å; R164-N168 VanDerWaalsContact O-N 3.13Å; F165-N168 PolarHBondContact O-N 3.29Å; L166-N168 PolarHBondContact O-N 3.29Å; N168-S170 PolarHBondContact O-N 3.07Å; N168-R171 PolarHBondContact O-N 3.03Å; N168-L172 WeakPolarHBondContact O-CG 3.16Å; N168-L172 PolarHBondContact O-N 3.1Å; N168-L172 WeakPolarHBondContact OD1-CD1 3.4Å |
| 169 | S | 74.2 | Confident | 70.1 | Confident | 64 Ų | 64 | 109.8 Ų | 109.8 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -41 | 177.3 | -167.1 | 0 | 0 | 0 | 0 | 112.9 | F165 L166 L172 Q173 | F165-S169 VanDerWaalsContact O-CB 3.23Å; F165-S169 WeakPolarHBondContact O-CB 3.25Å; F165-S169 PolarHBondContact O-N 3.44Å; L166-S169 PolarHBondContact O-N 3.44Å; S169-L172 PolarHBondContact O-N 3.49Å; S169-Q173 WeakPolarHBondContact O-CB 3.38Å; S169-Q173 WeakPolarHBondContact O-CG 3.42Å; S169-Q173 PolarHBondContact O-N 3.43Å |
| 170 | S | 76.5 | Confident | 71.5 | Confident | 67 Ų | 67 | 112.4 Ų | 112.4 | 47% | 0.469 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 174.3 | -67.4 | 0 | 0 | 0 | 0 | 112.4 | L166 N168 Q173 E174 | L166-S170 WeakPolarHBondContact O-CB 3.24Å; L166-S170 PolarHBondContact O-N 3.16Å; L166-S170 PolarHBondContact O-OG 3.4Å; L166-S170 VanDerWaalsContact O-OG 3.12Å; N168-S170 PolarHBondContact O-N 3.07Å; S170-Q173 WeakPolarHBondContact O-CB 3.29Å; S170-Q173 PolarHBondContact O-N 2.85Å; S170-E174 WeakPolarHBondContact O-CG 3.41Å; S170-E174 PolarHBondContact O-N 2.86Å |
| 171 | R | 79.6 | Confident | 72.6 | Confident | 162 Ų | 162 | 113.6 Ų | 113.6 | 61% | 0.611 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.2 | -38 | 177.7 | -172.1 | 167.3 | 178.4 | 147.1 | -0.1 | 112.6 | W167 N168 E174 E175 | W167-R171 PolarHBondContact O-N 2.88Å; W167-R171 VanDerWaalsContact O-N 3.16Å; N168-R171 PolarHBondContact O-N 3.03Å; R171-E174 PolarHBondContact O-N 3.23Å; R171-E175 PolarHBondContact O-N 2.8Å |
| 172 | L | 77.1 | Confident | 73.5 | Confident | 85 Ų | 85 | 112.8 Ų | 112.8 | 45% | 0.445 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.3 | -35.5 | 172.5 | -69.4 | 172 | 0 | 0 | 0 | 112 | N168 S169 E174 E175 I176 | N168-L172 WeakPolarHBondContact O-CG 3.16Å; N168-L172 PolarHBondContact O-N 3.1Å; N168-L172 WeakPolarHBondContact OD1-CD1 3.4Å; S169-L172 PolarHBondContact O-N 3.49Å; L172-E174 VanDerWaalsContact C-N 3.32Å; L172-E174 PolarHBondContact O-N 3.27Å; L172-E175 PolarHBondContact O-N 2.04Å; L172-I176 WeakPolarHBondContact O-CB 3.01Å; L172-I176 WeakPolarHBondContact O-CD1 3.28Å; L172-I176 VanDerWaalsContact O-CG1 3.25Å; L172-I176 WeakPolarHBondContact O-CG1 3.41Å; L172-I176 PolarHBondContact O-N 3.48Å |
| 173 | Q | 74.8 | Confident | 74.4 | Confident | 115 Ų | 115 | 116.8 Ų | 116.8 | 54% | 0.537 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.1 | -37.7 | 171.9 | -77.2 | -104.5 | 15.2 | 0 | 0 | 112.4 | S169 S170 R177 | S169-Q173 WeakPolarHBondContact O-CB 3.38Å; S169-Q173 WeakPolarHBondContact O-CG 3.42Å; S169-Q173 PolarHBondContact O-N 3.43Å; S170-Q173 WeakPolarHBondContact O-CB 3.29Å; S170-Q173 PolarHBondContact O-N 2.85Å; Q173-R177 VanDerWaalsContact O-CB 3.24Å; Q173-R177 WeakPolarHBondContact O-CB 3.37Å; Q173-R177 PolarHBondContact O-N 3.35Å |
| 174 | E | 77.3 | Confident | 75.1 | Confident | 100 Ų | 100 | 114.2 Ų | 114.2 | 47% | 0.467 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.6 | -49.1 | 173.7 | -73.5 | 166.3 | 164.3 | 0 | 0 | 111.5 | S170 R171 L172 I176 R177 E178 | S170-E174 WeakPolarHBondContact O-CG 3.41Å; S170-E174 PolarHBondContact O-N 2.86Å; R171-E174 PolarHBondContact O-N 3.23Å; L172-E174 VanDerWaalsContact C-N 3.32Å; L172-E174 PolarHBondContact O-N 3.27Å; E174-I176 VanDerWaalsContact C-N 3.34Å; E174-I176 PolarHBondContact O-N 3.01Å; E174-R177 WeakPolarHBondContact O-CB 2.96Å; E174-R177 PolarHBondContact O-N 2.97Å; E174-R177 VanDerWaalsContact O-N 3.11Å; E174-E178 WeakPolarHBondContact O-CG 3.49Å; E174-E178 PolarHBondContact O-N 2.99Å |
| 175 | E | 80.2 | Confident | 75.2 | Confident | 118 Ų | 118 | 116.2 Ų | 116.2 | 55% | 0.551 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.5 | -38.2 | 179.9 | -165.6 | 179.6 | 138.7 | 0 | 0 | 112.7 | R171 L172 S179 | R171-E175 PolarHBondContact O-N 2.8Å; L172-E175 PolarHBondContact O-N 2.04Å; E175-S179 VanDerWaalsContact O-CB 3.24Å; E175-S179 WeakPolarHBondContact O-CB 3.12Å; E175-S179 PolarHBondContact O-N 3.04Å; E175-S179 PolarHBondContact O-OG 2.97Å |
| 176 | I | 79.1 | Confident | 75.3 | Confident | 113 Ų | 113 | 119 Ų | 119 | 58% | 0.579 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.7 | -40.8 | 173.9 | -68.4 | 166.3 | 0 | 0 | 0 | 110.9 | L172 E174 S179 N180 | L172-I176 WeakPolarHBondContact O-CB 3.01Å; L172-I176 WeakPolarHBondContact O-CD1 3.28Å; L172-I176 VanDerWaalsContact O-CG1 3.25Å; L172-I176 WeakPolarHBondContact O-CG1 3.41Å; L172-I176 PolarHBondContact O-N 3.48Å; E174-I176 VanDerWaalsContact C-N 3.34Å; E174-I176 PolarHBondContact O-N 3.01Å; I176-S179 PolarHBondContact O-N 2.93Å; I176-N180 WeakPolarHBondContact O-CB 3.45Å; I176-N180 PolarHBondContact O-N 3.02Å |
| 177 | R | 77.7 | Confident | 74.9 | Confident | 144 Ų | 144 | 122.5 Ų | 122.5 | 54% | 0.543 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.5 | -44.5 | 177 | -171.4 | -174 | -53.9 | 116.4 | 8.3 | 111.3 | Q173 E174 N180 W181 | Q173-R177 VanDerWaalsContact O-CB 3.24Å; Q173-R177 WeakPolarHBondContact O-CB 3.37Å; Q173-R177 PolarHBondContact O-N 3.35Å; E174-R177 WeakPolarHBondContact O-CB 2.96Å; E174-R177 PolarHBondContact O-N 2.97Å; E174-R177 VanDerWaalsContact O-N 3.11Å; R177-N180 PolarHBondContact O-N 2.98Å; R177-W181 VanDerWaalsContact O-CB 3.29Å; R177-W181 WeakPolarHBondContact O-CB 3.39Å; R177-W181 PolarHBondContact O-N 2.71Å |
| 178 | E | 76.9 | Confident | 75.1 | Confident | 122 Ų | 122 | 121.6 Ų | 121.6 | 57% | 0.57 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.5 | -40.3 | 175 | -71.8 | -179 | 171.9 | 0 | 0 | 112.1 | E174 N180 W181 N182 | E174-E178 WeakPolarHBondContact O-CG 3.49Å; E174-E178 PolarHBondContact O-N 2.99Å; E178-N180 VanDerWaalsContact C-N 3.34Å; E178-N180 PolarHBondContact O-N 2.83Å; E178-W181 PolarHBondContact O-N 3Å; E178-N182 WeakPolarHBondContact O-CB 3.27Å; E178-N182 PolarHBondContact O-N 2.85Å; E178-N182 PolarHBondContact O-ND2 3.08Å |
| 179 | S | 79.1 | Confident | 75.1 | Confident | 67 Ų | 67 | 123.1 Ų | 123.1 | 47% | 0.469 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.3 | -41.3 | 175.3 | -66.5 | 0 | 0 | 0 | 0 | 112 | E175 I176 R183 | E175-S179 VanDerWaalsContact O-CB 3.24Å; E175-S179 WeakPolarHBondContact O-CB 3.12Å; E175-S179 PolarHBondContact O-N 3.04Å; E175-S179 PolarHBondContact O-OG 2.97Å; I176-S179 PolarHBondContact O-N 2.93Å; S179-R183 WeakPolarHBondContact O-CB 2.92Å; S179-R183 PolarHBondContact O-N 3.12Å |
| 180 | N | 78.8 | Confident | 75.2 | Confident | 109 Ų | 109 | 126.3 Ų | 126.3 | 58% | 0.583 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -73.3 | -39.3 | 179 | -152.3 | -7.1 | 0 | 0 | 0 | 111.6 | I176 R177 E178 R183 S184 | I176-N180 WeakPolarHBondContact O-CB 3.45Å; I176-N180 PolarHBondContact O-N 3.02Å; R177-N180 PolarHBondContact O-N 2.98Å; E178-N180 VanDerWaalsContact C-N 3.34Å; E178-N180 PolarHBondContact O-N 2.83Å; N180-R183 PolarHBondContact O-N 3.03Å; N180-S184 WeakPolarHBondContact O-CB 3.07Å; N180-S184 PolarHBondContact O-N 2.88Å |
| 181 | W | 74.8 | Confident | 75.1 | Confident | 149 Ų | 149 | 129.8 Ų | 129.8 | 56% | 0.564 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -58.8 | -47.4 | 171.1 | 175.6 | -106.9 | 0 | 0 | 0 | 112.6 | R177 E178 R183 S184 R185 | R177-W181 VanDerWaalsContact O-CB 3.29Å; R177-W181 WeakPolarHBondContact O-CB 3.39Å; R177-W181 PolarHBondContact O-N 2.71Å; E178-W181 PolarHBondContact O-N 3Å; W181-R183 VanDerWaalsContact C-N 3.3Å; W181-R183 PolarHBondContact O-N 2.84Å; W181-S184 PolarHBondContact O-N 3.05Å; W181-R185 PolarHBondContact O-N 3.23Å; W181-R185 VanDerWaalsContact O-N 3.1Å |
| 182 | N | 77.9 | Confident | 74.8 | Confident | 85 Ų | 85 | 127.8 Ų | 127.8 | 46% | 0.455 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.3 | -29.6 | 177.3 | -78.9 | -59.4 | 0 | 0 | 0 | 112.9 | E178 R186 | E178-N182 WeakPolarHBondContact O-CB 3.27Å; E178-N182 PolarHBondContact O-N 2.85Å; E178-N182 PolarHBondContact O-ND2 3.08Å; N182-R186 WeakPolarHBondContact O-CG 3.41Å |
| 183 | R | 73.4 | Confident | 74.7 | Confident | 193 Ų | 193 | 130.7 Ų | 130.7 | 73% | 0.728 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.7 | -43.6 | 171.9 | -173.3 | 175.6 | -68.4 | -169.9 | -1.3 | 111.7 | S179 N180 W181 R185 R186 S187 | S179-R183 WeakPolarHBondContact O-CB 2.92Å; S179-R183 PolarHBondContact O-N 3.12Å; N180-R183 PolarHBondContact O-N 3.03Å; W181-R183 VanDerWaalsContact C-N 3.3Å; W181-R183 PolarHBondContact O-N 2.84Å; R183-R185 PolarHBondContact O-N 2.99Å; R183-R186 PolarHBondContact O-N 2.8Å; R183-S187 PolarHBondContact O-N 3.23Å |
| 184 | S | 73.8 | Confident | 74.7 | Confident | 84 Ų | 84 | 131.8 Ų | 131.8 | 59% | 0.587 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.4 | -26.5 | 176.7 | -169.3 | 0 | 0 | 0 | 0 | 113.2 | N180 W181 | N180-S184 WeakPolarHBondContact O-CB 3.07Å; N180-S184 PolarHBondContact O-N 2.88Å; W181-S184 PolarHBondContact O-N 3.05Å |
| 185 | R | 67.7 | Low | 74.5 | Confident | 173 Ų | 173 | 134.2 Ų | 134.2 | 65% | 0.653 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -3.7 | 173 | -76 | -176.4 | 167.2 | -156.2 | -5.7 | 115.4 | W181 R183 | W181-R185 PolarHBondContact O-N 3.23Å; W181-R185 VanDerWaalsContact O-N 3.1Å; R183-R185 PolarHBondContact O-N 2.99Å |
| 186 | R | 67.3 | Low | 74 | Confident | 225 Ų | 225 | 135.6 Ų | 135.6 | 85% | 0.849 | 64% | 0.643 | S | S | * | * | | | trans | -115.5 | 1.6 | -179.6 | -70.3 | -176.3 | -173.9 | -140.9 | 4.1 | 113.5 | N182 R183 | N182-R186 WeakPolarHBondContact O-CG 3.41Å; R183-R186 PolarHBondContact O-N 2.8Å |
| 187 | S | 61.8 | Low | 73.5 | Confident | 163 Ų | 163 | 137.6 Ų | 137.6 | 100% | 1.14 | 65% | 0.649 | S | S | * | * | | | trans | -103.9 | 0 | 170.7 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | R183 | R183-S187 PolarHBondContact O-N 3.23Š|