| 1 | M | 34.6 | Very low | 42.4 | Very low | 226 Ų | 226 | 160.6 Ų | 160.6 | 100% | 1.113 | 83% | 0.828 | S | S | * | * | | | | 0 | 110.5 | 0 | -76.7 | 168.4 | 171.8 | 0 | 0 | 106.7 | | |
| 2 | D | 42.5 | Very low | 42.8 | Very low | 137 Ų | 137 | 161.9 Ų | 161.9 | 73% | 0.733 | 84% | 0.836 | S | S | * | * | | | | 46.8 | 124.2 | 129.1 | -31.8 | -52 | 0 | 0 | 0 | 118.8 | | |
| 3 | Y | 40.7 | Very low | 42.4 | Very low | 231 Ų | 231 | 155.8 Ų | 155.8 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | | | | -154.5 | 144.5 | 105.9 | -120.3 | -84.3 | 0 | 0 | 0 | 111.4 | | |
| 4 | E | 45.6 | Very low | 42.5 | Very low | 173 Ų | 173 | 154.9 Ų | 154.9 | 81% | 0.808 | 84% | 0.84 | S | S | * | * | | | trans | -79.1 | 173.7 | 171.2 | -55.1 | -171.8 | 136.3 | 0 | 0 | 111.8 | | |
| 5 | G | 39.6 | Very low | 42.8 | Very low | 69 Ų | 69 | 153.1 Ų | 153.1 | 71% | 0.711 | 84% | 0.843 | S | S | * | * | | | trans | 167.2 | 68.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 6 | K | 45 | Very low | 42.9 | Very low | 180 Ų | 180 | 151.4 Ų | 151.4 | 78% | 0.783 | 85% | 0.845 | S | S | * | * | | | trans | 31.6 | 133.1 | 144.9 | -60.3 | 171.1 | -175.1 | 172.1 | 0 | 120.6 | | |
| 7 | P | 53.8 | Low | 42.5 | Very low | 134 Ų | 134 | 147.3 Ų | 147.3 | 87% | 0.87 | 85% | 0.845 | S | S | * | * | | | trans | -71.3 | 153.4 | 170.3 | 33.1 | -35.5 | 0 | 0 | 0 | 112.3 | | |
| 8 | V | 51.5 | Low | 42.1 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 75% | 0.752 | 85% | 0.845 | S | S | * | * | | | trans | -110.8 | 132.2 | 172.8 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | F10 | V8-F10 HydrophobicContact CG1-CD2 4.32Å; V8-F10 HydrophobicContact CG1-CE2 4.22Å |
| 9 | E | 34.3 | Very low | 41.9 | Very low | 178 Ų | 178 | 140.9 Ų | 140.9 | 83% | 0.832 | 84% | 0.84 | S | S | * | * | | | trans | -84.7 | 138.2 | 179.6 | -173.8 | 172 | -139.2 | 0 | 0 | 110.9 | | |
| 10 | F | 41.2 | Very low | 41.6 | Very low | 191 Ų | 191 | 139.3 Ų | 139.3 | 84% | 0.838 | 84% | 0.836 | S | S | * | * | | | trans | -130.6 | 112.6 | 173.4 | -100.5 | -83 | 0 | 0 | 0 | 110.8 | V8 | V8-F10 HydrophobicContact CG1-CD2 4.32Å; V8-F10 HydrophobicContact CG1-CE2 4.22Å |
| 11 | T | 37.3 | Very low | 41.3 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 76% | 0.761 | 84% | 0.838 | S | S | * | * | | | trans | -82.1 | 136.6 | 173.6 | 43 | 0 | 0 | 0 | 0 | 110.9 | | |
| 12 | L | 47.3 | Very low | 41.8 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | | | trans | -108.1 | 119.4 | 163 | -74.9 | 174.1 | 0 | 0 | 0 | 108.3 | | |
| 13 | G | 37.4 | Very low | 42 | Very low | 82 Ų | 82 | 133 Ų | 133 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 141.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 14 | T | 44.7 | Very low | 41.7 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 139.4 | 162.1 | 41.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 15 | S | 46.4 | Very low | 41.3 | Very low | 128 Ų | 128 | 124 Ų | 124 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 155.9 | -179.8 | 46.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 16 | S | 44.8 | Very low | 41.1 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -109.6 | 155.6 | -158.8 | 58.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 17 | G | 35.3 | Very low | 40.6 | Very low | 82 Ų | 82 | 122.7 Ų | 122.7 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | trans | 132.4 | 129.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 18 | G | 36.3 | Very low | 39.7 | Very low | 82 Ų | 82 | 122.9 Ų | 122.9 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | cis | -179.9 | 167.9 | -5 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 19 | A | 37.4 | Very low | 38.7 | Very low | 91 Ų | 91 | 121.8 Ų | 121.8 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | | | cis | -144.1 | 148 | -1.8 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 20 | S | 37.3 | Very low | 39.1 | Very low | 108 Ų | 108 | 118.2 Ų | 118.2 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | | | | 42.6 | 133.1 | 102.4 | -56.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 21 | L | 34.8 | Very low | 38.7 | Very low | 167 Ų | 167 | 114 Ų | 114 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | cis | -161.6 | 162.9 | -0.2 | -113.6 | 170.3 | 0 | 0 | 0 | 110.5 | | |
| 22 | A | 44.3 | Very low | 38.6 | Very low | 81 Ų | 81 | 116.2 Ų | 116.2 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | | | trans | -115.1 | 158.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 23 | P | 48 | Very low | 37.9 | Very low | 122 Ų | 122 | 111.9 Ų | 111.9 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | | | | -142.8 | -171.6 | 106.2 | 40.2 | -25.2 | 0 | 0 | 0 | 111.2 | | |
| 24 | T | 34 | Very low | 38.5 | Very low | 118 Ų | 118 | 112.4 Ų | 112.4 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | | | cis | -121 | -168.6 | 3.6 | 54.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 25 | S | 35.7 | Very low | 38 | Very low | 98 Ų | 98 | 114.4 Ų | 114.4 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | cis | 70.9 | 144.6 | 18.2 | 24.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 26 | S | 36.8 | Very low | 37.5 | Very low | 96 Ų | 96 | 112 Ų | 112 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | | | cis | -163.9 | 165.1 | -22.6 | 49.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 27 | T | 32.9 | Very low | 37.1 | Very low | 126 Ų | 126 | 115.6 Ų | 115.6 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | trans | 64.4 | 161.3 | 161 | 42.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 28 | T | 35.3 | Very low | 36.8 | Very low | 138 Ų | 138 | 118.4 Ų | 118.4 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | | | cis | -144.4 | -166.3 | 11.9 | -22.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 29 | A | 32 | Very low | 36.8 | Very low | 100 Ų | 100 | 119.1 Ų | 119.1 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | | | trans | -93.9 | 178.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 30 | A | 41.1 | Very low | 36.8 | Very low | 103 Ų | 103 | 120.1 Ų | 120.1 | 85% | 0.851 | 75% | 0.745 | S | S | * | * | | | trans | -72.2 | 160.7 | -165.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 31 | S | 33.6 | Very low | 36.5 | Very low | 103 Ų | 103 | 119.1 Ų | 119.1 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | | | trans | -158.6 | 125.3 | 163.6 | 60.3 | 0 | 0 | 0 | 0 | 115 | | |
| 32 | I | 34.5 | Very low | 36.7 | Very low | 171 Ų | 171 | 116.7 Ų | 116.7 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | | | trans | 72.7 | 155.5 | 144.4 | -58.9 | 166.8 | 0 | 0 | 0 | 118 | | |
| 33 | A | 32.2 | Very low | 36.5 | Very low | 85 Ų | 85 | 118.8 Ų | 118.8 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | | | trans | -125 | -128.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 34 | P | 51.8 | Low | 35.7 | Very low | 92 Ų | 92 | 121.6 Ų | 121.6 | 60% | 0.597 | 73% | 0.732 | S | S | * | * | | | | -121.2 | 179.1 | -97.4 | 29.9 | -12.3 | 0 | 0 | 0 | 116.6 | | |
| 35 | F | 34.2 | Very low | 35.7 | Very low | 186 Ų | 186 | 125.1 Ų | 125.1 | 82% | 0.816 | 73% | 0.733 | S | S | * | * | | | trans | 72.9 | 162.8 | 165.2 | -54 | -54.1 | 0 | 0 | 0 | 117 | | |
| 36 | S | 34.1 | Very low | 35.6 | Very low | 79 Ų | 79 | 127.2 Ų | 127.2 | 55% | 0.552 | 74% | 0.737 | S | S | * | * | | | cis | -173.6 | 179.6 | -24.6 | -87.3 | 0 | 0 | 0 | 0 | 108 | | |
| 37 | Y | 36.4 | Very low | 35.2 | Very low | 199 Ų | 199 | 129 Ų | 129 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | | | cis | -124.8 | -123.2 | 9.9 | -64.3 | -94.9 | 0 | 0 | 0 | 110.9 | | |
| 38 | N | 29.9 | Very low | 35.4 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | | | cis | -143.6 | 107.2 | 2.3 | -178.7 | -9.2 | 0 | 0 | 0 | 105.6 | | |
| 39 | T | 37 | Very low | 36 | Very low | 97 Ų | 97 | 127.9 Ų | 127.9 | 60% | 0.595 | 74% | 0.739 | S | S | * | * | | | | 63 | 151.5 | 76.1 | 56.4 | 0 | 0 | 0 | 0 | 116.4 | | |
| 40 | S | 37.1 | Very low | 36.2 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | | | cis | -176.3 | 151 | -32.1 | -91.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 41 | A | 31.7 | Very low | 35.8 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 72% | 0.719 | 73% | 0.729 | S | S | * | * | | | trans | -165 | 116.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 42 | T | 37.7 | Very low | 35.9 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | | | | 74 | 133.8 | 61.8 | 64.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 43 | N | 41 | Very low | 36.6 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | | | cis | -170.1 | 174.9 | -2.1 | -115.7 | -17.7 | 0 | 0 | 0 | 113.1 | | |
| 44 | Y | 31.5 | Very low | 36.7 | Very low | 181 Ų | 181 | 135.2 Ų | 135.2 | 71% | 0.71 | 74% | 0.737 | S | S | * | * | | | trans | 72.6 | 149.7 | 162.1 | -66.9 | -62.5 | 0 | 0 | 0 | 119.5 | | |
| 45 | Y | 34 | Very low | 35.9 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | | | cis | -141.5 | -179.5 | 5.9 | -113.5 | -56.9 | 0 | 0 | 0 | 113.2 | | |
| 46 | N | 32.4 | Very low | 35.8 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | | | trans | -75.1 | 178.8 | -179.5 | -61.3 | -43.5 | 0 | 0 | 0 | 113.3 | | |
| 47 | T | 29.5 | Very low | 35.8 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | | | cis | -154.3 | 166.9 | 29.4 | 47.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 48 | T | 35.6 | Very low | 35.5 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | -99.3 | -165.5 | 165.4 | 58.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 49 | P | 49.4 | Very low | 35.8 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | | | cis | -143.4 | -175.8 | -3.1 | 44.4 | -25.5 | 0 | 0 | 0 | 117.9 | | |
| 50 | S | 35.1 | Very low | 35.5 | Very low | 103 Ų | 103 | 148.6 Ų | 148.6 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | | | trans | 83.9 | 152.1 | 137.6 | -161.6 | 0 | 0 | 0 | 0 | 123.6 | | |
| 51 | S | 32.4 | Very low | 35.3 | Very low | 107 Ų | 107 | 147.6 Ų | 147.6 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | 100.2 | 124.9 | 145.1 | -50.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 52 | Y | 35.9 | Very low | 35.4 | Very low | 223 Ų | 223 | 147.7 Ų | 147.7 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | | | trans | -73 | 166.4 | 153.9 | -71.5 | -91.2 | 0 | 0 | 0 | 110.6 | | |
| 53 | P | 50.4 | Low | 35.1 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | | -136.7 | 178.9 | 112.7 | 39 | -29.7 | 0 | 0 | 0 | 115 | | |
| 54 | M | 32.8 | Very low | 34.8 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | | | trans | -104.1 | 161.4 | -177.6 | -77.3 | -92.6 | -78.6 | 0 | 0 | 112.2 | | |
| 55 | F | 35.9 | Very low | 35 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | 20.6 | 132 | 152.6 | -76.1 | -100.3 | 0 | 0 | 0 | 120.8 | | |
| 56 | L | 31.1 | Very low | 35 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -161.1 | 149.4 | 130.9 | -112.8 | 161.8 | 0 | 0 | 0 | 113.3 | | |
| 57 | N | 35 | Very low | 34.9 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | | | trans | -76 | 162 | 161.8 | -77.5 | -33.8 | 0 | 0 | 0 | 110 | | |
| 58 | Y | 29.8 | Very low | 35.2 | Very low | 205 Ų | 205 | 138.2 Ų | 138.2 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | | -175 | 162.7 | 105.6 | -114.8 | -86.5 | 0 | 0 | 0 | 114.7 | | |
| 59 | Q | 35.7 | Very low | 35 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -78.1 | 150.7 | 173.5 | -72 | 156.7 | -97 | 0 | 0 | 113.3 | | |
| 60 | Y | 31.9 | Very low | 34.5 | Very low | 226 Ų | 226 | 140.2 Ų | 140.2 | 89% | 0.886 | 78% | 0.783 | S | S | * | * | | | trans | -136.2 | 134.8 | 142.8 | -92.1 | -97.1 | 0 | 0 | 0 | 106.6 | | |
| 61 | A | 33.2 | Very low | 34.4 | Very low | 90 Ų | 90 | 141.9 Ų | 141.9 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | | | cis | 104.1 | 110.5 | 15.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 62 | G | 32.3 | Very low | 34.5 | Very low | 88 Ų | 88 | 140.8 Ų | 140.8 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | | | trans | 88.8 | 134.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 63 | G | 33.2 | Very low | 34.3 | Very low | 78 Ų | 78 | 140 Ų | 140 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | cis | 135.3 | 109.7 | -16 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 64 | T | 34.4 | Very low | 33.6 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | | | trans | -147.5 | 157.7 | 166.4 | 40.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 65 | T | 36.1 | Very low | 33.8 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | -64.6 | 165.9 | 180 | 44.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 66 | V | 32.5 | Very low | 33.9 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | | -161.9 | 158 | 60.7 | 162.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 67 | T | 30.1 | Very low | 34 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | -20.3 | 157.5 | 170.3 | 59.2 | 0 | 0 | 0 | 0 | 120 | | |
| 68 | T | 35.4 | Very low | 34 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 64% | 0.638 | 78% | 0.782 | S | S | * | * | | | cis | -163.2 | 159 | 14.1 | -1.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 69 | D | 32.2 | Very low | 34.5 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | trans | 53.4 | 149.1 | 148.3 | -53.3 | -25.3 | 0 | 0 | 0 | 121.4 | | |
| 70 | M | 38.1 | Very low | 34.4 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | | | cis | -158.4 | 168.5 | -18.2 | -104.1 | -57.7 | -177.3 | 0 | 0 | 108.3 | | |
| 71 | D | 34.1 | Very low | 34.7 | Very low | 139 Ų | 139 | 127.8 Ų | 127.8 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | trans | -6.7 | 128.5 | 168.4 | -52.7 | -38 | 0 | 0 | 0 | 119.2 | | |
| 72 | A | 33.5 | Very low | 34.7 | Very low | 84 Ų | 84 | 130.5 Ų | 130.5 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | | | | 66.4 | 110.4 | 56 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 73 | F | 33 | Very low | 34.6 | Very low | 205 Ų | 205 | 129.5 Ų | 129.5 | 90% | 0.899 | 77% | 0.77 | S | S | * | * | | | | -169.1 | 173.1 | 127.9 | -125 | -102.6 | 0 | 0 | 0 | 114.2 | | |
| 74 | S | 35.4 | Very low | 34.5 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | trans | -51.5 | 154.1 | -172.6 | -51.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 75 | G | 36.1 | Very low | 34.5 | Very low | 71 Ų | 71 | 134.2 Ų | 134.2 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | | | trans | -88 | -170.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 76 | M | 38.2 | Very low | 34.2 | Very low | 186 Ų | 186 | 131.6 Ų | 131.6 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | | | trans | -151.8 | 151 | 176 | -133.3 | 165.9 | -72.8 | 0 | 0 | 112.6 | | |
| 77 | D | 33.8 | Very low | 34.2 | Very low | 138 Ų | 138 | 132 Ų | 132 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | | | trans | -81.3 | 150.4 | 171.1 | 169.6 | 39.4 | 0 | 0 | 0 | 110.9 | | |
| 78 | M | 35.7 | Very low | 34.3 | Very low | 186 Ų | 186 | 134.2 Ų | 134.2 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | | | trans | -146.4 | 117 | 160.2 | -80.1 | -151.3 | 169.4 | 0 | 0 | 112.5 | | |
| 79 | S | 39.5 | Very low | 34.2 | Very low | 93 Ų | 93 | 135.5 Ų | 135.5 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | | | trans | -125.8 | 118 | 170.8 | 155.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 80 | M | 34.6 | Very low | 34.3 | Very low | 190 Ų | 190 | 136.4 Ų | 136.4 | 94% | 0.936 | 78% | 0.776 | S | S | * | * | | | trans | -173.5 | 131.2 | 160.8 | -99.4 | 162.1 | -149 | 0 | 0 | 107.2 | | |
| 81 | N | 36.8 | Very low | 34.4 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | | | cis | 105.2 | 129.4 | 8.6 | -160.7 | 22.6 | 0 | 0 | 0 | 116.2 | | |
| 82 | N | 33.3 | Very low | 34.5 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | | | trans | 83.6 | 149.2 | 161 | -105.8 | -7.9 | 0 | 0 | 0 | 123.4 | | |
| 83 | G | 31.2 | Very low | 34.3 | Very low | 68 Ų | 68 | 137.9 Ų | 137.9 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | trans | 99.5 | 107.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 84 | V | 31.4 | Very low | 34.1 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 70% | 0.697 | 77% | 0.773 | S | S | * | * | | | cis | 84.4 | 80.9 | 9.7 | -167 | 0 | 0 | 0 | 0 | 117.2 | | |
| 85 | F | 33.2 | Very low | 33.9 | Very low | 209 Ų | 209 | 142.2 Ų | 142.2 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | | | | 167.3 | 150.3 | 125.2 | -100.2 | -69.1 | 0 | 0 | 0 | 111.4 | | |
| 86 | G | 30 | Very low | 34.2 | Very low | 72 Ų | 72 | 144.4 Ų | 144.4 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | | | trans | 150.3 | 139.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 87 | T | 31.8 | Very low | 33.9 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | | | trans | -132.2 | 162.3 | -170.6 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 88 | Q | 32.5 | Very low | 33.8 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | trans | 86.7 | 139.2 | 160.6 | -56.9 | -144.8 | 25 | 0 | 0 | 120.6 | | |
| 89 | N | 34.6 | Very low | 33.8 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | trans | 58.4 | 100.4 | 149.6 | -53.7 | -22.2 | 0 | 0 | 0 | 119.8 | | |
| 90 | N | 32.9 | Very low | 33.3 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -58.9 | 135.3 | 147.1 | -163.6 | 4.9 | 0 | 0 | 0 | 108.5 | S92 | N90-S92 PolarHBondContact OD1-N 3.09Š|
| 91 | P | 40.9 | Very low | 33 | Very low | 102 Ų | 102 | 140 Ų | 140 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | | | | -139.5 | 142 | 93.1 | 36.8 | -23.6 | 0 | 0 | 0 | 115.3 | | |
| 92 | S | 35.2 | Very low | 32.7 | Very low | 99 Ų | 99 | 137 Ų | 137 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | | | trans | 47.2 | 103.7 | 138 | -55.6 | 0 | 0 | 0 | 0 | 119.1 | N90 | N90-S92 PolarHBondContact OD1-N 3.09Š|
| 93 | Y | 30.3 | Very low | 32.6 | Very low | 203 Ų | 203 | 140.1 Ų | 140.1 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | | | trans | -123.6 | 119.1 | 149.9 | -97.6 | -87.3 | 0 | 0 | 0 | 111.8 | Y95 | Y93-Y95 HydrophobicContact CD1-CE2 4.43Š|
| 94 | F | 29.7 | Very low | 32.7 | Very low | 196 Ų | 196 | 139.2 Ų | 139.2 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | | | trans | -71.9 | 148.4 | 158 | -97.4 | -109.7 | 0 | 0 | 0 | 109.3 | | |
| 95 | Y | 31 | Very low | 32.7 | Very low | 200 Ų | 200 | 144 Ų | 144 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | | | trans | -128.4 | 149.2 | 151.7 | -83.3 | -78 | 0 | 0 | 0 | 109.2 | Y93 | Y93-Y95 HydrophobicContact CD1-CE2 4.43Š|
| 96 | P | 40.6 | Very low | 32.6 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 156.2 | -157.5 | 34.4 | -37 | 0 | 0 | 0 | 114.5 | | |
| 97 | T | 32 | Very low | 32.9 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 140.9 | 164.2 | 53.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 98 | T | 33.1 | Very low | 33 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 90% | 0.896 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 164.1 | 156.1 | 41.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 99 | Q | 34.3 | Very low | 33.1 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | | | trans | -117.9 | 173.1 | -148.3 | -87.5 | -76 | 2.7 | 0 | 0 | 115 | | |
| 100 | L | 29.1 | Very low | 33.1 | Very low | 136 Ų | 136 | 140 Ų | 140 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | | | trans | 77.2 | 134.8 | 167.8 | -57.5 | 135.2 | 0 | 0 | 0 | 115.3 | | |
| 101 | N | 29.3 | Very low | 33.4 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | cis | -138.1 | 172.9 | 4.2 | -82.5 | -68.9 | 0 | 0 | 0 | 111.1 | | |
| 102 | T | 30.4 | Very low | 33.1 | Very low | 76 Ų | 76 | 138.9 Ų | 138.9 | 47% | 0.466 | 76% | 0.76 | S | S | . | * | | | cis | -176.5 | 149.6 | -38.3 | -71.2 | 0 | 0 | 0 | 0 | 105.5 | | |
| 103 | Y | 32.3 | Very low | 33.2 | Very low | 212 Ų | 212 | 140.2 Ų | 140.2 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | | | trans | 70 | 127.5 | -178.1 | -41.6 | -71.9 | 0 | 0 | 0 | 114.6 | | |
| 104 | G | 32.1 | Very low | 33.5 | Very low | 49 Ų | 49 | 134.8 Ų | 134.8 | 51% | 0.505 | 76% | 0.761 | S | S | . | * | | | cis | 82.3 | 144 | -2.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 105 | Y | 30.5 | Very low | 34 | Very low | 216 Ų | 216 | 131.6 Ų | 131.6 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | | | cis | -167.6 | 155.2 | -3.1 | -66.6 | -69.4 | 0 | 0 | 0 | 105.9 | | |
| 106 | D | 32.8 | Very low | 34.4 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | cis | -163.6 | -160.6 | -22.9 | -126.9 | -79.4 | 0 | 0 | 0 | 105.2 | | |
| 107 | T | 36.1 | Very low | 34.5 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | | | cis | -157.2 | 161.9 | -0.4 | -6.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 108 | L | 34.2 | Very low | 35.5 | Very low | 178 Ų | 178 | 126.4 Ų | 126.4 | 93% | 0.932 | 76% | 0.756 | S | S | * | * | | | trans | -164.9 | 147.8 | 134.4 | -131.4 | 76.1 | 0 | 0 | 0 | 112.7 | | |
| 109 | A | 34.4 | Very low | 36 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 79% | 0.793 | 74% | 0.743 | S | S | * | * | | | trans | -112.4 | 143.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 110 | A | 33.5 | Very low | 36.5 | Very low | 103 Ų | 103 | 122.6 Ų | 122.6 | 85% | 0.851 | 74% | 0.738 | S | S | * | * | | | trans | -157.5 | 125.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 111 | A | 38.8 | Very low | 37.4 | Very low | 98 Ų | 98 | 123.5 Ų | 123.5 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | | | trans | -116.9 | 112.7 | 171 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 112 | T | 35 | Very low | 38.5 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | trans | -156.1 | 102.3 | 176.5 | -58.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 113 | T | 37.1 | Very low | 39.2 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | | 91.7 | 126.6 | 70.2 | -63.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 114 | A | 36.4 | Very low | 39.7 | Very low | 89 Ų | 89 | 125.4 Ų | 125.4 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | trans | 53.9 | 108.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | G116 | A114-G116 PolarHBondContact O-N 3.1Š|
| 115 | S | 41.4 | Very low | 40.4 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | | | trans | -71.7 | 85.1 | 158.3 | -52 | 0 | 0 | 0 | 0 | 111 | I117 | S115-I117 PolarHBondContact O-N 3.28Š|
| 116 | G | 39.4 | Very low | 41.2 | Very low | 65 Ų | 65 | 124.5 Ų | 124.5 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | | | trans | -74.6 | 119.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A114 | A114-G116 PolarHBondContact O-N 3.1Š|
| 117 | I | 41.6 | Very low | 41.9 | Very low | 152 Ų | 152 | 124.8 Ų | 124.8 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | | | trans | -93.1 | 104 | 165.6 | -58.1 | 175.7 | 0 | 0 | 0 | 108.1 | S115 V119 | S115-I117 PolarHBondContact O-N 3.28Å; I117-V119 HydrophobicContact CG2-CG2 4.4Å |
| 118 | T | 54.3 | Low | 42.2 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | | | trans | -100.4 | 113.5 | 175 | -52 | 0 | 0 | 0 | 0 | 109.7 | | |
| 119 | V | 42.8 | Very low | 42.6 | Very low | 102 Ų | 102 | 124.5 Ų | 124.5 | 62% | 0.618 | 76% | 0.762 | S | S | * | * | | | trans | -93.5 | 125.5 | 171.3 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | I117 L124 | I117-V119 HydrophobicContact CG2-CG2 4.4Å; V119-L124 HydrophobicContact CG2-CD2 3.96Å |
| 120 | N | 44.4 | Very low | 42.9 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 64% | 0.642 | 77% | 0.765 | S | S | * | * | B | Isolated β-bridge | trans | -145.4 | 135.1 | 169.5 | -140 | -17.8 | 0 | 0 | 0 | 110.1 | N122 | N120-N122 PolarHBondContact O-N 2.86Å |
| 121 | N | 49.1 | Very low | 43.1 | Very low | 154 Ų | 154 | 126.9 Ų | 126.9 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 30.8 | 68.5 | 178 | -68.5 | -9.8 | 0 | 0 | 0 | 116.8 | Q123 | N121-Q123 VanDerWaalsContact C-N 3.33Å; N121-Q123 PolarHBondContact O-N 2.62Å |
| 122 | N | 51.6 | Low | 43.1 | Very low | 172 Ų | 172 | 130.7 Ų | 130.7 | 92% | 0.92 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.3 | 14 | 165 | -101.9 | 22.3 | 0 | 0 | 0 | 118.5 | N120 | N120-N122 PolarHBondContact O-N 2.86Š|
| 123 | Q | 46.4 | Very low | 43.2 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | B | Isolated β-bridge | trans | -122.1 | 138.5 | 166.5 | -65 | -170.4 | -56.8 | 0 | 0 | 111.7 | N121 | N121-Q123 VanDerWaalsContact C-N 3.33Å; N121-Q123 PolarHBondContact O-N 2.62Å |
| 124 | L | 42.1 | Very low | 43.1 | Very low | 140 Ų | 140 | 128 Ų | 128 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | trans | -101.5 | 117.5 | 171.3 | -68.6 | 173.9 | 0 | 0 | 0 | 107.9 | V119 | V119-L124 HydrophobicContact CG2-CD2 3.96Š|
| 125 | N | 47.3 | Very low | 43.3 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | | | trans | -114 | 131.2 | 175.3 | -164 | 53.2 | 0 | 0 | 0 | 110 | N127 | N125-N127 PolarHBondContact ND2-OD1 2.71Š|
| 126 | V | 47.3 | Very low | 43.1 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | | | trans | -128.1 | 98 | -174.4 | -176.6 | 0 | 0 | 0 | 0 | 109 | I128 | V126-I128 HydrophobicContact CG1-CG1 4.22Å; V126-I128 PolarHBondContact O-N 3.19Å |
| 127 | N | 45.7 | Very low | 43.8 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | trans | -81 | 114.4 | 173.4 | -82.7 | 26.5 | 0 | 0 | 0 | 109.9 | N125 | N125-N127 PolarHBondContact ND2-OD1 2.71Š|
| 128 | I | 42.8 | Very low | 43.6 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 72% | 0.723 | 76% | 0.76 | S | S | * | * | | | trans | -101.6 | 111.9 | 167.2 | -57.7 | 177.4 | 0 | 0 | 0 | 107.3 | V126 Q130 | V126-I128 HydrophobicContact CG1-CG1 4.22Å; V126-I128 PolarHBondContact O-N 3.19Å; I128-Q130 PolarHBondContact O-N 3.07Å |
| 129 | V | 44 | Very low | 43.2 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | | | trans | -83.5 | 99.8 | 171.7 | -178.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 130 | Q | 40.4 | Very low | 42.7 | Very low | 183 Ų | 183 | 136.7 Ų | 136.7 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | | | trans | -94.1 | 125.6 | 175.4 | -162.7 | 168.4 | -0.6 | 0 | 0 | 109.4 | I128 | I128-Q130 PolarHBondContact O-N 3.07Š|
| 131 | G | 37.5 | Very low | 42.8 | Very low | 66 Ų | 66 | 137.4 Ų | 137.4 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | | | trans | -89.2 | 153.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 132 | N | 38.6 | Very low | 42.3 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 96% | 0.957 | 77% | 0.774 | S | S | * | * | | | trans | 80.7 | 134.4 | 157.3 | -155.9 | 27.6 | 0 | 0 | 0 | 119.4 | | |
| 133 | G | 36.7 | Very low | 41.7 | Very low | 57 Ų | 57 | 136.5 Ų | 136.5 | 59% | 0.588 | 77% | 0.767 | S | S | * | * | | | trans | 114.1 | 82 | 148.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 134 | T | 34.3 | Very low | 41.2 | Very low | 141 Ų | 141 | 136 Ų | 136 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | | | trans | 46.6 | 84.2 | 141.4 | 39.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 135 | I | 41.3 | Very low | 41.1 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | | 18.4 | 119.9 | 126.1 | -48.5 | 171 | 0 | 0 | 0 | 119.6 | | |
| 136 | V | 38.3 | Very low | 40.6 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | | | trans | -144.3 | 136.3 | 130.2 | -177.9 | 0 | 0 | 0 | 0 | 108 | | |
| 137 | P | 52.8 | Low | 40.2 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 62% | 0.623 | 77% | 0.767 | S | S | * | * | | | trans | -108.5 | 136.5 | -169.3 | 37.5 | -31.4 | 0 | 0 | 0 | 116.2 | | |
| 138 | Q | 38 | Very low | 39.9 | Very low | 177 Ų | 177 | 133.4 Ų | 133.4 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | | | trans | -152.9 | 146.6 | 147.2 | -78.7 | -51 | -37.4 | 0 | 0 | 110.1 | | |
| 139 | P | 44.8 | Very low | 39.5 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -90.2 | 130.4 | 179.3 | 33.9 | -30.6 | 0 | 0 | 0 | 112.3 | | |
| 140 | I | 34.2 | Very low | 39.1 | Very low | 146 Ų | 146 | 131 Ų | 131 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | | | trans | -126.6 | 105.9 | 168.7 | -62.4 | -179.7 | 0 | 0 | 0 | 109.2 | Q142 | I140-Q142 HydrophobicContact CG2-CG 3.78Å; I140-Q142 PolarHBondContact O-N 3.01Å |
| 141 | T | 46.1 | Very low | 38.7 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | | | trans | -81.5 | 93.5 | 173.6 | 33.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 142 | Q | 38.5 | Very low | 38.5 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | trans | -114.1 | 103.5 | 170.3 | -78 | -73.6 | -21.2 | 0 | 0 | 109.5 | I140 I144 | I140-Q142 HydrophobicContact CG2-CG 3.78Å; I140-Q142 PolarHBondContact O-N 3.01Å; Q142-I144 PolarHBondContact O-N 3.47Å |
| 143 | N | 37.9 | Very low | 38.1 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | | | trans | -72.2 | 106.7 | 179.7 | -73.4 | -37.4 | 0 | 0 | 0 | 110.5 | I145 | N143-I145 PolarHBondContact O-N 3.19Š|
| 144 | I | 36 | Very low | 38.1 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | | | trans | -72.6 | 94.4 | 168.3 | -59.3 | 179.9 | 0 | 0 | 0 | 108.3 | Q142 S146 | Q142-I144 PolarHBondContact O-N 3.47Å; I144-S146 VanDerWaalsContact C-N 3.32Å; I144-S146 PolarHBondContact O-N 3.26Å |
| 145 | I | 40.2 | Very low | 38.4 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | | | trans | -65.4 | 93.7 | 172 | -58.7 | 177.1 | 0 | 0 | 0 | 108.3 | N143 T147 | N143-I145 PolarHBondContact O-N 3.19Å; I145-T147 HydrophobicContact CG2-CG2 4.28Å; I145-T147 PolarHBondContact O-N 3.44Å |
| 146 | S | 37.7 | Very low | 38.4 | Very low | 90 Ų | 90 | 128.3 Ų | 128.3 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | | | trans | -80.8 | 105.3 | 170.1 | -65.7 | 0 | 0 | 0 | 0 | 108.1 | I144 V148 | I144-S146 VanDerWaalsContact C-N 3.32Å; I144-S146 PolarHBondContact O-N 3.26Å; S146-V148 VanDerWaalsContact C-N 3.27Å; S146-V148 PolarHBondContact O-N 3.46Å |
| 147 | T | 38.4 | Very low | 38.3 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | | | trans | -71.5 | 79.1 | 179.5 | 53 | 0 | 0 | 0 | 0 | 111.3 | I145 S149 | I145-T147 HydrophobicContact CG2-CG2 4.28Å; I145-T147 PolarHBondContact O-N 3.44Å; T147-S149 PolarHBondContact O-N 2.77Å; T147-S149 VanDerWaalsContact O-N 3.08Å |
| 148 | V | 38.6 | Very low | 37.3 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | trans | -69.4 | 104.3 | 175 | -168.9 | 0 | 0 | 0 | 0 | 108.9 | S146 N150 | S146-V148 VanDerWaalsContact C-N 3.27Å; S146-V148 PolarHBondContact O-N 3.46Å; V148-N150 VanDerWaalsContact C-N 3.26Å; V148-N150 PolarHBondContact O-N 3.42Å |
| 149 | S | 35.3 | Very low | 37.4 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | | | trans | -74.5 | 78.6 | 176.7 | -65 | 0 | 0 | 0 | 0 | 110.6 | T147 V151 | T147-S149 PolarHBondContact O-N 2.77Å; T147-S149 VanDerWaalsContact O-N 3.08Å; S149-V151 PolarHBondContact O-N 3.14Å |
| 150 | N | 35.8 | Very low | 36.9 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 67% | 0.668 | 75% | 0.745 | S | S | * | * | | | trans | -65.1 | 96.9 | 172.7 | -93.7 | -9.2 | 0 | 0 | 0 | 110.3 | V148 Q152 | V148-N150 VanDerWaalsContact C-N 3.26Å; V148-N150 PolarHBondContact O-N 3.42Å; N150-Q152 PolarHBondContact O-N 3Å |
| 151 | V | 32.1 | Very low | 37.2 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | | | trans | -76.8 | 73.1 | 164.2 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | S149 S153 | S149-V151 PolarHBondContact O-N 3.14Å; V151-S153 PolarHBondContact O-N 3.4Å; V151-S153 VanDerWaalsContact O-N 3.13Å |
| 152 | Q | 32.4 | Very low | 36.9 | Very low | 154 Ų | 154 | 129.8 Ų | 129.8 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | | | trans | -79.5 | 90 | 178.2 | -175.4 | 170.4 | -22.6 | 0 | 0 | 109.4 | N150 S154 | N150-Q152 PolarHBondContact O-N 3Å; Q152-S154 VanDerWaalsContact C-N 3.28Å; Q152-S154 PolarHBondContact O-N 3Å |
| 153 | S | 31.3 | Very low | 36.6 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | trans | -66.2 | 81.6 | 177.5 | -65 | 0 | 0 | 0 | 0 | 112 | V151 V155 | V151-S153 PolarHBondContact O-N 3.4Å; V151-S153 VanDerWaalsContact O-N 3.13Å; S153-V155 PolarHBondContact O-N 2.72Å |
| 154 | S | 36.9 | Very low | 36.7 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | trans | -73.9 | 101.3 | 169.5 | 36.6 | 0 | 0 | 0 | 0 | 109.7 | Q152 P156 | Q152-S154 VanDerWaalsContact C-N 3.28Å; Q152-S154 PolarHBondContact O-N 3Å; S154-P156 WeakPolarHBondContact O-CD 3.14Å |
| 155 | V | 39.3 | Very low | 37.3 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | -76.9 | 123.1 | 170 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | S153 I157 | S153-V155 PolarHBondContact O-N 2.72Å; V155-I157 PolarHBondContact O-N 3.3Å |
| 156 | P | 41.8 | Very low | 37.1 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | | | trans | -69.4 | 116.8 | 170.2 | 28.1 | -32.2 | 0 | 0 | 0 | 109.3 | S154 N158 | S154-P156 WeakPolarHBondContact O-CD 3.14Å; P156-N158 PolarHBondContact O-N 2.97Å |
| 157 | I | 35.3 | Very low | 36.8 | Very low | 150 Ų | 150 | 127.5 Ų | 127.5 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | trans | -72.5 | 107 | 172.2 | -60.3 | 175.6 | 0 | 0 | 0 | 107.5 | V155 N159 | V155-I157 PolarHBondContact O-N 3.3Å; I157-N159 PolarHBondContact O-N 3.47Å |
| 158 | N | 33.3 | Very low | 36.5 | Very low | 148 Ų | 148 | 130.4 Ų | 130.4 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -84.4 | 111.7 | 176.1 | -162.9 | 16.4 | 0 | 0 | 0 | 109.8 | P156 S160 | P156-N158 PolarHBondContact O-N 2.97Å; N158-S160 PolarHBondContact O-N 2.92Å |
| 159 | N | 38.5 | Very low | 36.3 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -78.6 | 113.1 | -178.2 | -93.9 | -8.9 | 0 | 0 | 0 | 111.5 | I157 | I157-N159 PolarHBondContact O-N 3.47Š|
| 160 | S | 36.1 | Very low | 36 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | -144.2 | 110.8 | 159.6 | 58.3 | 0 | 0 | 0 | 0 | 109.9 | N158 | N158-S160 PolarHBondContact O-N 2.92Š|
| 161 | Q | 39.2 | Very low | 35.7 | Very low | 181 Ų | 181 | 128.7 Ų | 128.7 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | | | trans | -75.2 | 156.4 | 177.2 | -80.5 | -81.7 | -40.1 | 0 | 0 | 111.6 | | |
| 162 | P | 39.8 | Very low | 35.8 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | | | trans | -81.1 | 160.6 | 178.5 | 35 | -35.2 | 0 | 0 | 0 | 112.1 | | |
| 163 | L | 33.3 | Very low | 35.7 | Very low | 177 Ų | 177 | 126.2 Ų | 126.2 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | | | trans | -125 | 134.2 | 162.5 | -71.9 | 175.9 | 0 | 0 | 0 | 110.2 | | |
| 164 | T | 40.1 | Very low | 36 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | trans | -92.3 | 163.6 | 179.1 | 36.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 165 | P | 47.5 | Very low | 36.1 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | | | trans | -83.6 | 148.4 | -170 | 32.8 | -35.8 | 0 | 0 | 0 | 113.5 | | |
| 166 | T | 36.1 | Very low | 35.8 | Very low | 146 Ų | 146 | 125.4 Ų | 125.4 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | | | trans | -142.9 | 131.1 | 158.4 | -43.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 167 | G | 31.3 | Very low | 35.6 | Very low | 68 Ų | 68 | 126 Ų | 126 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | | | trans | -98.9 | 164.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 168 | L | 33.6 | Very low | 35.8 | Very low | 182 Ų | 182 | 124.6 Ų | 124.6 | 95% | 0.953 | 82% | 0.818 | S | S | * | * | | | trans | -131.4 | 155.4 | 157.9 | -100.7 | 98.9 | 0 | 0 | 0 | 109.8 | | |
| 169 | A | 32.9 | Very low | 36.1 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | | | trans | -92.1 | 157.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 170 | G | 29 | Very low | 35.9 | Very low | 80 Ų | 80 | 121 Ų | 121 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | trans | -163.9 | 137.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 171 | C | 30.2 | Very low | 36 | Very low | 122 Ų | 122 | 121.1 Ų | 121.1 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | | | trans | -118.9 | 160 | -166.7 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 172 | S | 33.2 | Very low | 36 | Very low | 106 Ų | 106 | 117.8 Ų | 117.8 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | | | trans | 18.5 | 134.7 | 153 | -45.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 173 | T | 31.8 | Very low | 36.1 | Very low | 124 Ų | 124 | 118 Ų | 118 | 76% | 0.761 | 82% | 0.823 | S | S | * | * | | | | -176.8 | 156.2 | 68.4 | 36.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 174 | S | 37.8 | Very low | 36.4 | Very low | 107 Ų | 107 | 114.6 Ų | 114.6 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | | | trans | 51.3 | 156.4 | 151.3 | 56.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 175 | S | 37.6 | Very low | 36.3 | Very low | 125 Ų | 125 | 112.8 Ų | 112.8 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | cis | -168.9 | 151.9 | -20.3 | -90.3 | 0 | 0 | 0 | 0 | 106.8 | | |
| 176 | G | 32.8 | Very low | 35.7 | Very low | 80 Ų | 80 | 114.1 Ų | 114.1 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | 179.9 | 75.4 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 177 | S | 37.2 | Very low | 35.5 | Very low | 127 Ų | 127 | 111.5 Ų | 111.5 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | | | trans | -93.3 | 134.7 | -179.3 | -53.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 178 | S | 40.1 | Very low | 35.4 | Very low | 122 Ų | 122 | 114.6 Ų | 114.6 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | trans | -159.2 | 115.5 | 147.2 | 57.3 | 0 | 0 | 0 | 0 | 111 | | |
| 179 | S | 39.2 | Very low | 35.5 | Very low | 117 Ų | 117 | 111.5 Ų | 111.5 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -100.5 | 155.3 | 174.1 | 48.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 180 | A | 35.1 | Very low | 36 | Very low | 105 Ų | 105 | 112.5 Ų | 112.5 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | | | trans | -144.2 | 118.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 181 | S | 39.2 | Very low | 36.6 | Very low | 110 Ų | 110 | 114.8 Ų | 114.8 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -156.6 | 121.8 | -173.1 | 58 | 0 | 0 | 0 | 0 | 113 | | |
| 182 | S | 39.1 | Very low | 36.8 | Very low | 110 Ų | 110 | 118 Ų | 118 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -164.6 | 129.4 | 161.4 | 34.6 | 0 | 0 | 0 | 0 | 106.8 | | |
| 183 | S | 42.1 | Very low | 36.9 | Very low | 107 Ų | 107 | 121 Ų | 121 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | cis | 72.4 | 152.5 | 49.4 | 91.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 184 | S | 39.3 | Very low | 37.1 | Very low | 107 Ų | 107 | 121 Ų | 121 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | cis | -168.5 | 156.3 | 3.5 | 15.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 185 | A | 36.9 | Very low | 37.4 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | | | cis | -168.8 | -148 | -10.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 186 | N | 34.4 | Very low | 37.3 | Very low | 153 Ų | 153 | 123.1 Ų | 123.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | 72 | 159.2 | 168.7 | -77.8 | -24.4 | 0 | 0 | 0 | 119.3 | | |
| 187 | S | 31.9 | Very low | 37.7 | Very low | 92 Ų | 92 | 129 Ų | 129 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | | | cis | -174.6 | 150.3 | -38.7 | -99.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 188 | T | 31.1 | Very low | 37.6 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | | | trans | 46.4 | 109.6 | 155.3 | -51.4 | 0 | 0 | 0 | 0 | 120.2 | | |
| 189 | S | 34.6 | Very low | 37.7 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | | 176.6 | 163.8 | 125.4 | 44.7 | 0 | 0 | 0 | 0 | 113 | | |
| 190 | T | 43.9 | Very low | 37.8 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 139.4 | -179.9 | 46.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 191 | P | 41.4 | Very low | 38.5 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 118.8 | 163.9 | -6.5 | 24.7 | 0 | 0 | 0 | 110.6 | | |
| 192 | K | 34.6 | Very low | 38.7 | Very low | 191 Ų | 191 | 135.5 Ų | 135.5 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 130 | 161.4 | -72.6 | 179.2 | 179.6 | 175 | 0 | 108.7 | T194 | K192-T194 PolarHBondContact O-N 3.21Š|
| 193 | N | 35.9 | Very low | 38.3 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | | | trans | -78.4 | 109 | -177.8 | -162.8 | -1.3 | 0 | 0 | 0 | 110.3 | | |
| 194 | T | 36 | Very low | 37.9 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -110.9 | 143.8 | 177.7 | 39.8 | 0 | 0 | 0 | 0 | 111.4 | K192 | K192-T194 PolarHBondContact O-N 3.21Š|
| 195 | I | 43.3 | Very low | 38.1 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | | | trans | -78.9 | 138.6 | -165.8 | -64.1 | 162.1 | 0 | 0 | 0 | 111.3 | | |
| 196 | S | 35.5 | Very low | 38.2 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | | | trans | -149.5 | 122.4 | 151.5 | -82.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 197 | K | 40.2 | Very low | 38.8 | Very low | 204 Ų | 204 | 134 Ų | 134 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | | | trans | -78.9 | 129.7 | 172.9 | -71.5 | 175.2 | 178.3 | 171.9 | 0 | 109.3 | | |
| 198 | A | 35.4 | Very low | 39.4 | Very low | 99 Ų | 99 | 134 Ų | 134 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -123.1 | 91.5 | 162 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 199 | N | 43.6 | Very low | 40.1 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | | | trans | -83.1 | 118.9 | 176.6 | -167.6 | 20.9 | 0 | 0 | 0 | 109.2 | | |
| 200 | R | 41 | Very low | 40.6 | Very low | 242 Ų | 242 | 137.8 Ų | 137.8 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | | | trans | -134.3 | 89.9 | 174.8 | -79.3 | -165.4 | 173.2 | -162.5 | -0.9 | 111.1 | | |
| 201 | S | 48.3 | Very low | 41 | Very low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | | | trans | -110.7 | 93 | 171.5 | -65.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 202 | S | 43.4 | Very low | 41.6 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | trans | -173.8 | 145.5 | 157.3 | 48.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 203 | G | 32.7 | Very low | 42.9 | Very low | 84 Ų | 84 | 130.8 Ų | 130.8 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | | | trans | 87 | 147.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 204 | G | 31.7 | Very low | 44.7 | Very low | 68 Ų | 68 | 129 Ų | 129 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | trans | 101.1 | 61.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | N206 | G204-N206 PolarHBondContact O-N 2.85Š|
| 205 | A | 45.2 | Very low | 47.2 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 92% | 0.917 | 73% | 0.732 | S | S | * | * | | | trans | -69.5 | 96.8 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 206 | N | 37.7 | Very low | 49.6 | Very low | 143 Ų | 143 | 124 Ų | 124 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | | | trans | -119 | 115.8 | 171 | -97 | -42 | 0 | 0 | 0 | 109.9 | G204 S208 | G204-N206 PolarHBondContact O-N 2.85Å; N206-S208 VanDerWaalsContact C-N 3.3Å; N206-S208 PolarHBondContact O-N 3.09Å |
| 207 | N | 47.9 | Very low | 52.4 | Low | 128 Ų | 128 | 118.2 Ų | 118.2 | 68% | 0.684 | 68% | 0.676 | S | S | * | * | | | trans | -70.9 | 81.9 | 178.2 | 175.3 | 38 | 0 | 0 | 0 | 110.1 | Q209 | N207-Q209 PolarHBondContact ND2-OE1 3.02Å; N207-Q209 PolarHBondContact O-N 3.35Å |
| 208 | S | 44.6 | Very low | 54.9 | Low | 93 Ų | 93 | 112.8 Ų | 112.8 | 65% | 0.65 | 66% | 0.66 | S | S | * | * | | | trans | -77.5 | 72 | 179.4 | 51.9 | 0 | 0 | 0 | 0 | 111.4 | N206 F210 | N206-S208 VanDerWaalsContact C-N 3.3Å; N206-S208 PolarHBondContact O-N 3.09Å; S208-F210 PolarHBondContact O-N 2.9Å |
| 209 | Q | 45.3 | Very low | 57.6 | Low | 167 Ų | 167 | 109.9 Ų | 109.9 | 78% | 0.78 | 63% | 0.631 | S | S | * | * | | | trans | -66.1 | 54.7 | 164.9 | -80.2 | -179.4 | -107.4 | 0 | 0 | 112 | N207 S211 | N207-Q209 PolarHBondContact ND2-OE1 3.02Å; N207-Q209 PolarHBondContact O-N 3.35Å; Q209-S211 PolarHBondContact O-N 3.15Å |
| 210 | F | 44.8 | Very low | 59.8 | Low | 162 Ų | 162 | 104.7 Ų | 104.7 | 71% | 0.711 | 61% | 0.605 | S | S | * | * | | | trans | -73.9 | 117.7 | 157.4 | -78 | -92 | 0 | 0 | 0 | 107.5 | S208 T212 R215 | S208-F210 PolarHBondContact O-N 2.9Å; F210-T212 PolarHBondContact O-N 3.07Å; F210-R215 PolarHBondContact O-NH2 3.45Å |
| 211 | S | 52.1 | Low | 62.2 | Low | 50 Ų | 50 | 94.9 Ų | 94.9 | 35% | 0.35 | 58% | 0.579 | S | S | . | * | | | trans | -23.5 | 112.6 | -177.8 | 48.6 | 0 | 0 | 0 | 0 | 114.6 | Q209 E213 D214 R215 | Q209-S211 PolarHBondContact O-N 3.15Å; S211-E213 PolarHBondContact O-N 3.08Å; S211-D214 WeakPolarHBondContact CB-OD2 3.34Å; S211-D214 PolarHBondContact OG-OD2 3.27Å; S211-R215 PolarHBondContact O-NE 3.12Å; S211-R215 PolarHBondContact O-NH2 3.17Å |
| 212 | T | 55.3 | Low | 64.3 | Low | 101 Ų | 101 | 92.4 Ų | 92.4 | 62% | 0.62 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -79.7 | -0.5 | 165.6 | 48.3 | 0 | 0 | 0 | 0 | 112.3 | F210 | F210-T212 PolarHBondContact O-N 3.07Š|
| 213 | E | 60.5 | Low | 66.6 | Low | 150 Ų | 150 | 90.7 Ų | 90.7 | 70% | 0.701 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -87.8 | -32.9 | -171.5 | -62.2 | 176 | 148.5 | 0 | 0 | 111.2 | S211 R215 | S211-E213 PolarHBondContact O-N 3.08Å; E213-R215 VanDerWaalsContact C-N 3.29Å; E213-R215 PolarHBondContact O-N 3.45Å |
| 214 | D | 75.1 | Confident | 69.4 | Low | 128 Ų | 128 | 93 Ų | 93 | 68% | 0.684 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -84.6 | 9.4 | -179 | -45.9 | -51.4 | 0 | 0 | 0 | 114.7 | S211 | S211-D214 WeakPolarHBondContact CB-OD2 3.34Å; S211-D214 PolarHBondContact OG-OD2 3.27Å |
| 215 | R | 88.3 | Confident | 72.2 | Confident | 77 Ų | 77 | 91 Ų | 91 | 29% | 0.291 | 50% | 0.504 | S | S | . | . | | | trans | -116.1 | 98 | -175.3 | -82.5 | 172.7 | -97.1 | -174.2 | -3.3 | 110.4 | F210 S211 E213 H223 W228 | F210-R215 PolarHBondContact O-NH2 3.45Å; S211-R215 PolarHBondContact O-NE 3.12Å; S211-R215 PolarHBondContact O-NH2 3.17Å; E213-R215 VanDerWaalsContact C-N 3.29Å; E213-R215 PolarHBondContact O-N 3.45Å; R215-H223 WeakPolarHBondContact O-CA 3.46Å; R215-W228 HydrophobicContact CB-CH2 4.38Å; R215-W228 HydrophobicContact CB-CZ2 3.92Å; R215-W228 WeakPolarHBondContact O-CH2 3.48Å; R215-W228 WeakPolarHBondContact O-CZ2 3.33Å |
| 216 | E | 93.3 | Very high | 74.3 | Confident | 99 Ų | 99 | 91.9 Ų | 91.9 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | | | trans | -109 | 160.3 | 170 | 68 | 166.8 | 179.6 | 0 | 0 | 113.1 | G221 H223 Y236 | E216-G221 WeakPolarHBondContact OE2-CA 3.5Å; E216-H223 IonicContact OE2-CE1 3.45Å; E216-H223 PolarHBondContact OE2-CE1 2.92Å; E216-Y236 WeakPolarHBondContact O-CB 3.46Å |
| 217 | C | 94.3 | Very high | 76.9 | Confident | 1 Ų | 1 | 89.3 Ų | 89.3 | 1% | 0.007 | 49% | 0.486 | C | S | . | . | | | trans | -82.8 | 115.2 | 174.8 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | N219 C220 G221 V222 W228 Y236 C238 | C217-N219 PolarHBondContact O-N 3.17Å; C217-C220 PolarHBondContact O-N 3.08Å; C217-C220 PolarHBondContact SG-SG 2.68Å; C217-G221 PolarHBondContact O-N 3.13Å; C217-V222 HydrophobicContact CB-CG1 3.91Å; C217-V222 PolarHBondContact N-O 3.36Å; C217-V222 VanDerWaalsContact N-O 3.16Å; C217-W228 HydrophobicContact CB-CZ3 4.24Å; C217-Y236 WeakPolarHBondContact CA-O 3.46Å; C217-C238 HydrophobicContact CB-CB 3.88Å; C217-C238 PolarHBondContact SG-N 3.34Å |
| 218 | V | 93.3 | Very high | 79.2 | Confident | 90 Ų | 90 | 86.9 Ų | 86.9 | 55% | 0.545 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -22.7 | -176.3 | -58.1 | 0 | 0 | 0 | 0 | 114.5 | N235 Y236 L237 | V218-N235 HydrophobicContact CG1-CB 4.15Å; V218-N235 HydrophobicContact CG2-CB 3.95Å; V218-Y236 PolarHBondContact N-O 3.35Å; V218-L237 HydrophobicContact CG2-CD2 3.72Å; V218-L237 HydrophobicContact CG2-CG 4.44Å |
| 219 | N | 91 | Very high | 81.5 | Confident | 38 Ų | 38 | 86.5 Ų | 86.5 | 20% | 0.203 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -27.3 | 175.1 | 168 | -97.5 | 0 | 0 | 0 | 113.8 | C217 L237 C241 R252 L254 | C217-N219 PolarHBondContact O-N 3.17Å; N219-L237 HydrophobicContact CB-CD2 3.91Å; N219-C241 HydrophobicContact CB-CB 4.11Å; N219-C241 WeakPolarHBondContact OD1-CB 3.23Å; N219-C241 PolarHBondContact OD1-SG 2.86Å; N219-R252 PolarHBondContact ND2-N 3.42Å; N219-R252 PolarHBondContact ND2-O 3.3Å; N219-L254 WeakPolarHBondContact O-CD1 3.32Å |
| 220 | C | 91 | Very high | 83.9 | Confident | 35 Ų | 35 | 85.6 Ų | 85.6 | 24% | 0.236 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -144.7 | 7.9 | -167.7 | 78.4 | 0 | 0 | 0 | 0 | 118 | C217 V222 C238 C241 L254 | C217-C220 PolarHBondContact O-N 3.08Å; C217-C220 PolarHBondContact SG-SG 2.68Å; C220-V222 PolarHBondContact O-N 3.48Å; C220-C238 VanDerWaalsContact SG-SG 3.65Å; C220-C241 PolarHBondContact SG-SG 3.43Å; C220-L254 HydrophobicContact CB-CD1 3.85Å; C220-L254 HydrophobicContact CB-CD2 4.46Å; C220-L254 HydrophobicContact CB-CG 4.35Å |
| 221 | G | 91.3 | Very high | 85.9 | Confident | 36 Ų | 36 | 80 Ų | 80 | 37% | 0.371 | 42% | 0.419 | S | S | . | . | | | trans | 62.6 | 12.3 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | E216 C217 H223 | E216-G221 WeakPolarHBondContact OE2-CA 3.5Å; C217-G221 PolarHBondContact O-N 3.13Å; G221-H223 PolarHBondContact O-CE1 2.72Å; G221-H223 PolarHBondContact O-N 3.36Å; G221-H223 PolarHBondContact O-ND1 3.2Å |
| 222 | V | 91.7 | Very high | 87.6 | Confident | 54 Ų | 54 | 82 Ų | 82 | 33% | 0.327 | 45% | 0.448 | S | S | . | . | | | trans | -80.1 | 120.5 | -179.9 | 79.7 | 0 | 0 | 0 | 0 | 110.1 | C217 C220 N224 W228 C238 | C217-V222 HydrophobicContact CB-CG1 3.91Å; C217-V222 PolarHBondContact N-O 3.36Å; C217-V222 VanDerWaalsContact N-O 3.16Å; C220-V222 PolarHBondContact O-N 3.48Å; V222-N224 WeakPolarHBondContact CG2-O 3.35Å; V222-W228 WeakPolarHBondContact O-CH2 3.36Å; V222-C238 HydrophobicContact CG1-CB 3.44Å; V222-C238 VanDerWaalsContact CG1-CB 3.44Å |
| 223 | H | 91.4 | Very high | 89.3 | Confident | 89 Ų | 89 | 82.1 Ų | 82.1 | 41% | 0.412 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -85.5 | -19.7 | -179 | -64.6 | 43.8 | 0 | 0 | 0 | 112.3 | R215 E216 G221 | R215-H223 WeakPolarHBondContact O-CA 3.46Å; E216-H223 IonicContact OE2-CE1 3.45Å; E216-H223 PolarHBondContact OE2-CE1 2.92Å; G221-H223 PolarHBondContact O-CE1 2.72Å; G221-H223 PolarHBondContact O-N 3.36Å; G221-H223 PolarHBondContact O-ND1 3.2Å |
| 224 | N | 91.4 | Very high | 90.6 | Very high | 132 Ų | 132 | 76.5 Ų | 76.5 | 71% | 0.706 | 43% | 0.434 | S | S | * | . | | | trans | -120 | 121.9 | 177 | -47.4 | 111.6 | 0 | 0 | 0 | 111 | V222 | V222-N224 WeakPolarHBondContact CG2-O 3.35Š|
| 225 | T | 90.8 | Very high | 91.5 | Very high | 27 Ų | 27 | 73.7 Ų | 73.7 | 17% | 0.166 | 42% | 0.42 | C | S | . | . | | | trans | -139.5 | 141.6 | 178.8 | 173.5 | 0 | 0 | 0 | 0 | 110 | L227 W228 C238 N239 | T225-L227 WeakPolarHBondContact CG2-O 3.47Å; T225-L227 PolarHBondContact O-N 3.23Å; T225-L227 PolarHBondContact OG1-O 3.09Å; T225-W228 HydrophobicContact CG2-CD2 3.32Å; T225-W228 HydrophobicContact CG2-CE3 3.63Å; T225-W228 HydrophobicContact CG2-CG 3.83Å; T225-W228 HydrophobicContact CG2-CH2 3.84Å; T225-W228 HydrophobicContact CG2-CZ2 3.57Å; T225-W228 HydrophobicContact CG2-CZ3 3.88Å; T225-C238 HydrophobicContact CG2-CB 4.07Å; T225-C238 WeakPolarHBondContact OG1-CB 3.47Å; T225-N239 PolarHBondContact OG1-N 3.19Å; T225-N239 VanDerWaalsContact OG1-N 3.09Å |
| 226 | P | 90.4 | Very high | 91.8 | Very high | 129 Ų | 129 | 74 Ų | 74 | 84% | 0.838 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -68.1 | -13.3 | 179.9 | 28.9 | -36.9 | 0 | 0 | 0 | 113.6 | | |
| 227 | L | 92.1 | Very high | 91.8 | Very high | 89 Ų | 89 | 69.9 Ų | 69.9 | 47% | 0.466 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -153.3 | 137 | 169.2 | 177.9 | 63.4 | 0 | 0 | 0 | 108.9 | T225 N239 | T225-L227 WeakPolarHBondContact CG2-O 3.47Å; T225-L227 PolarHBondContact O-N 3.23Å; T225-L227 PolarHBondContact OG1-O 3.09Å; L227-N239 HydrophobicContact CB-CB 4.11Å; L227-N239 PolarHBondContact O-N 3.26Å; L227-N239 VanDerWaalsContact O-N 3.12Å |
| 228 | W | 94.4 | Very high | 91.9 | Very high | 78 Ų | 78 | 70.1 Ų | 70.1 | 30% | 0.295 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 142.4 | 167.5 | -74.9 | 109.6 | 0 | 0 | 0 | 110.4 | R215 C217 V222 T225 Y236 | R215-W228 HydrophobicContact CB-CH2 4.38Å; R215-W228 HydrophobicContact CB-CZ2 3.92Å; R215-W228 WeakPolarHBondContact O-CH2 3.48Å; R215-W228 WeakPolarHBondContact O-CZ2 3.33Å; C217-W228 HydrophobicContact CB-CZ3 4.24Å; V222-W228 WeakPolarHBondContact O-CH2 3.36Å; T225-W228 HydrophobicContact CG2-CD2 3.32Å; T225-W228 HydrophobicContact CG2-CE3 3.63Å; T225-W228 HydrophobicContact CG2-CG 3.83Å; T225-W228 HydrophobicContact CG2-CH2 3.84Å; T225-W228 HydrophobicContact CG2-CZ2 3.57Å; T225-W228 HydrophobicContact CG2-CZ3 3.88Å; W228-Y236 HydrophobicContact CE3-CD1 4.47Å |
| 229 | R | 94.5 | Very high | 92 | Very high | 85 Ų | 85 | 67.8 Ų | 67.8 | 32% | 0.321 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 159.1 | 173.2 | -64.9 | -177.2 | 177.4 | -79.3 | -5.9 | 108.9 | L237 N239 | R229-L237 HydrophobicContact CB-CB 4.36Å; R229-L237 PolarHBondContact N-O 2.86Å; R229-L237 PolarHBondContact O-N 2.91Å; R229-N239 VanDerWaalsContact CZ-OD1 3.3Å; R229-N239 PolarHBondContact NE-OD1 2.95Å; R229-N239 PolarHBondContact NH2-OD1 2.94Å |
| 230 | R | 94.4 | Very high | 92.1 | Very high | 147 Ų | 147 | 68.2 Ų | 68.2 | 56% | 0.555 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 152 | 165.9 | -62.9 | -174.8 | -173.7 | -80.4 | 1.3 | 110.1 | G234 N235 Y236 | R230-G234 PolarHBondContact NH1-O 2.92Å; R230-N235 VanDerWaalsContact CA-O 3.28Å; R230-N235 WeakPolarHBondContact CA-O 3.5Å; R230-Y236 VanDerWaalsContact NH1-CE1 3.27Å; R230-Y236 PolarHBondContact NH1-OH 3.21Å; R230-Y236 VanDerWaalsContact NH2-CE1 3.35Å; R230-Y236 PolarHBondContact NH2-OH 3.19Å |
| 231 | D | 88.3 | Confident | 92.2 | Very high | 46 Ų | 46 | 66.7 Ų | 66.7 | 25% | 0.246 | 39% | 0.387 | C | S | . | . | | | trans | -85.9 | -175.8 | 160.9 | 64.6 | 8.6 | 0 | 0 | 0 | 110.6 | S233 G234 N235 L237 | D231-S233 PolarHBondContact O-N 3.45Å; D231-S233 VanDerWaalsContact OD1-C 3.31Å; D231-S233 WeakPolarHBondContact OD1-CA 3.24Å; D231-S233 WeakPolarHBondContact OD1-CB 3.07Å; D231-S233 PolarHBondContact OD1-N 2.81Å; D231-G234 PolarHBondContact O-N 2.89Å; D231-G234 PolarHBondContact OD1-N 2.85Å; D231-N235 PolarHBondContact N-O 3.05Å; D231-N235 WeakPolarHBondContact OD1-CB 3.48Å; D231-N235 PolarHBondContact OD1-N 3.46Å; D231-N235 PolarHBondContact OD1-ND2 2.86Å; D231-N235 WeakPolarHBondContact OD2-CB 3.32Å; D231-N235 PolarHBondContact OD2-ND2 3.07Å; D231-L237 HydrophobicContact CB-CD1 4.09Å |
| 232 | G | 87.8 | Confident | 92.3 | Very high | 92 Ų | 92 | 65.5 Ų | 65.5 | 95% | 0.948 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -14.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 233 | S | 89.3 | Confident | 92.3 | Very high | 102 Ų | 102 | 66.8 Ų | 66.8 | 71% | 0.713 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -0.4 | 178.7 | -50.5 | 0 | 0 | 0 | 0 | 112.6 | D231 | D231-S233 PolarHBondContact O-N 3.45Å; D231-S233 VanDerWaalsContact OD1-C 3.31Å; D231-S233 WeakPolarHBondContact OD1-CA 3.24Å; D231-S233 WeakPolarHBondContact OD1-CB 3.07Å; D231-S233 PolarHBondContact OD1-N 2.81Å |
| 234 | G | 89.3 | Confident | 92.4 | Very high | 32 Ų | 32 | 66 Ų | 66 | 33% | 0.33 | 37% | 0.373 | S | S | . | . | | | trans | 87.4 | -5.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | R230 D231 | R230-G234 PolarHBondContact NH1-O 2.92Å; D231-G234 PolarHBondContact O-N 2.89Å; D231-G234 PolarHBondContact OD1-N 2.85Å |
| 235 | N | 93.3 | Very high | 92.5 | Very high | 70 Ų | 70 | 64.6 Ų | 64.6 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | | | trans | -62.8 | 147.5 | -174.9 | -63.1 | -57.3 | 0 | 0 | 0 | 112.6 | V218 R230 D231 L237 | V218-N235 HydrophobicContact CG1-CB 4.15Å; V218-N235 HydrophobicContact CG2-CB 3.95Å; R230-N235 VanDerWaalsContact CA-O 3.28Å; R230-N235 WeakPolarHBondContact CA-O 3.5Å; D231-N235 PolarHBondContact N-O 3.05Å; D231-N235 WeakPolarHBondContact OD1-CB 3.48Å; D231-N235 PolarHBondContact OD1-N 3.46Å; D231-N235 PolarHBondContact OD1-ND2 2.86Å; D231-N235 WeakPolarHBondContact OD2-CB 3.32Å; D231-N235 PolarHBondContact OD2-ND2 3.07Å; N235-L237 PolarHBondContact O-N 3.17Å |
| 236 | Y | 93.9 | Very high | 92.5 | Very high | 83 Ų | 83 | 71.3 Ų | 71.3 | 33% | 0.325 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.6 | 176.9 | -66.4 | -77.3 | 0 | 0 | 0 | 112.1 | E216 C217 V218 W228 R230 | E216-Y236 WeakPolarHBondContact O-CB 3.46Å; C217-Y236 WeakPolarHBondContact CA-O 3.46Å; V218-Y236 PolarHBondContact N-O 3.35Å; W228-Y236 HydrophobicContact CE3-CD1 4.47Å; R230-Y236 VanDerWaalsContact NH1-CE1 3.27Å; R230-Y236 PolarHBondContact NH1-OH 3.21Å; R230-Y236 VanDerWaalsContact NH2-CE1 3.35Å; R230-Y236 PolarHBondContact NH2-OH 3.19Å |
| 237 | L | 94.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 72 Ų | 72 | 7% | 0.068 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 138.2 | 173.9 | -69.9 | 172.7 | 0 | 0 | 0 | 110.5 | V218 N219 R229 D231 N235 C241 | V218-L237 HydrophobicContact CG2-CD2 3.72Å; V218-L237 HydrophobicContact CG2-CG 4.44Å; N219-L237 HydrophobicContact CB-CD2 3.91Å; R229-L237 HydrophobicContact CB-CB 4.36Å; R229-L237 PolarHBondContact N-O 2.86Å; R229-L237 PolarHBondContact O-N 2.91Å; D231-L237 HydrophobicContact CB-CD1 4.09Å; N235-L237 PolarHBondContact O-N 3.17Å; L237-C241 HydrophobicContact CD2-CB 4.44Å |
| 238 | C | 95.7 | Very high | 92.3 | Very high | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.034 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 160.7 | 169.7 | 76.9 | 0 | 0 | 0 | 0 | 111 | C217 C220 V222 T225 A240 C241 G242 | C217-C238 HydrophobicContact CB-CB 3.88Å; C217-C238 PolarHBondContact SG-N 3.34Å; C220-C238 VanDerWaalsContact SG-SG 3.65Å; V222-C238 HydrophobicContact CG1-CB 3.44Å; V222-C238 VanDerWaalsContact CG1-CB 3.44Å; T225-C238 HydrophobicContact CG2-CB 4.07Å; T225-C238 WeakPolarHBondContact OG1-CB 3.47Å; C238-A240 PolarHBondContact O-N 2.89Å; C238-A240 VanDerWaalsContact O-N 3.16Å; C238-C241 PolarHBondContact O-N 3.06Å; C238-C241 VanDerWaalsContact O-N 3.12Å; C238-C241 PolarHBondContact SG-N 2.97Å; C238-C241 PolarHBondContact SG-SG 3.5Å; C238-G242 PolarHBondContact O-N 3.13Å |
| 239 | N | 95.4 | Very high | 92 | Very high | 42 Ų | 42 | 73.9 Ų | 73.9 | 23% | 0.225 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -55 | -40.6 | -176 | -170.7 | 36.2 | 0 | 0 | 0 | 112.4 | T225 L227 R229 L243 | T225-N239 PolarHBondContact OG1-N 3.19Å; T225-N239 VanDerWaalsContact OG1-N 3.09Å; L227-N239 HydrophobicContact CB-CB 4.11Å; L227-N239 PolarHBondContact O-N 3.26Å; L227-N239 VanDerWaalsContact O-N 3.12Å; R229-N239 VanDerWaalsContact CZ-OD1 3.3Å; R229-N239 PolarHBondContact NE-OD1 2.95Å; R229-N239 PolarHBondContact NH2-OD1 2.94Å; N239-L243 VanDerWaalsContact O-CB 3.28Å; N239-L243 WeakPolarHBondContact O-CB 3.36Å; N239-L243 WeakPolarHBondContact O-CG 3.45Å; N239-L243 PolarHBondContact O-N 3.34Å; N239-L243 VanDerWaalsContact O-N 3.09Å; N239-L243 WeakPolarHBondContact OD1-CD1 3.19Å |
| 240 | A | 93.2 | Very high | 91.8 | Very high | 47 Ų | 47 | 76.2 Ų | 76.2 | 39% | 0.388 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | C238 Y244 | C238-A240 PolarHBondContact O-N 2.89Å; C238-A240 VanDerWaalsContact O-N 3.16Å; A240-Y244 VanDerWaalsContact O-CB 3.31Å; A240-Y244 WeakPolarHBondContact O-CB 3.5Å; A240-Y244 PolarHBondContact O-N 2.96Å |
| 241 | C | 93.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.014 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -79.1 | -38.9 | -177.2 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | N219 C220 L237 C238 Y244 F245 R252 | N219-C241 HydrophobicContact CB-CB 4.11Å; N219-C241 WeakPolarHBondContact OD1-CB 3.23Å; N219-C241 PolarHBondContact OD1-SG 2.86Å; C220-C241 PolarHBondContact SG-SG 3.43Å; L237-C241 HydrophobicContact CD2-CB 4.44Å; C238-C241 PolarHBondContact O-N 3.06Å; C238-C241 VanDerWaalsContact O-N 3.12Å; C238-C241 PolarHBondContact SG-N 2.97Å; C238-C241 PolarHBondContact SG-SG 3.5Å; C241-Y244 PolarHBondContact O-N 3.48Å; C241-F245 WeakPolarHBondContact O-CB 3.37Å; C241-F245 PolarHBondContact O-N 3.08Å; C241-R252 HydrophobicContact CB-CB 4.5Å |
| 242 | G | 93.7 | Very high | 91.4 | Very high | 11 Ų | 11 | 75.2 Ų | 75.2 | 11% | 0.113 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.7 | -35.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | C238 K246 | C238-G242 PolarHBondContact O-N 3.13Å; G242-K246 WeakPolarHBondContact O-CB 3.35Å; G242-K246 PolarHBondContact O-N 3.25Å; G242-K246 VanDerWaalsContact O-N 3.11Å |
| 243 | L | 92.6 | Very high | 91.4 | Very high | 82 Ų | 82 | 74.3 Ų | 74.3 | 43% | 0.429 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.7 | -42.7 | 171.2 | -74.3 | 174 | 0 | 0 | 0 | 112 | N239 K246 M247 | N239-L243 VanDerWaalsContact O-CB 3.28Å; N239-L243 WeakPolarHBondContact O-CB 3.36Å; N239-L243 WeakPolarHBondContact O-CG 3.45Å; N239-L243 PolarHBondContact O-N 3.34Å; N239-L243 VanDerWaalsContact O-N 3.09Å; N239-L243 WeakPolarHBondContact OD1-CD1 3.19Å; L243-K246 PolarHBondContact O-N 2.77Å; L243-M247 WeakPolarHBondContact O-CB 3.46Å; L243-M247 PolarHBondContact O-N 2.98Å; L243-M247 VanDerWaalsContact O-N 3.07Å |
| 244 | Y | 93.2 | Very high | 91 | Very high | 72 Ų | 72 | 74.5 Ų | 74.5 | 28% | 0.282 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 177.8 | -173.2 | -82.3 | 0 | 0 | 0 | 111.7 | A240 C241 M247 N248 H250 R252 P253 | A240-Y244 VanDerWaalsContact O-CB 3.31Å; A240-Y244 WeakPolarHBondContact O-CB 3.5Å; A240-Y244 PolarHBondContact O-N 2.96Å; C241-Y244 PolarHBondContact O-N 3.48Å; Y244-M247 PolarHBondContact O-N 2.77Å; Y244-N248 HydrophobicContact CD1-CB 4.4Å; Y244-N248 WeakPolarHBondContact CD2-ND2 3.4Å; Y244-N248 HydrophobicContact CE1-CB 3.98Å; Y244-N248 WeakPolarHBondContact CE2-ND2 3.43Å; Y244-N248 PolarHBondContact O-N 2.89Å; Y244-N248 PolarHBondContact O-ND2 2.84Å; Y244-H250 WeakPolarHBondContact CD1-O 3.32Å; Y244-R252 HydrophobicContact CD1-CB 3.62Å; Y244-R252 HydrophobicContact CD1-CG 4.03Å; Y244-R252 HydrophobicContact CD2-CG 4.02Å; Y244-R252 HydrophobicContact CE1-CB 4.25Å; Y244-R252 HydrophobicContact CG-CB 3.78Å; Y244-R252 HydrophobicContact CG-CG 3.75Å; Y244-P253 WeakPolarHBondContact OH-CD 3.26Å |
| 245 | F | 92.6 | Very high | 90.5 | Very high | 102 Ų | 102 | 78.9 Ų | 78.9 | 45% | 0.447 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 177.4 | -174.8 | -98.3 | 0 | 0 | 0 | 111.7 | C241 M247 H249 | C241-F245 WeakPolarHBondContact O-CB 3.37Å; C241-F245 PolarHBondContact O-N 3.08Å; F245-M247 VanDerWaalsContact C-N 3.27Å; F245-M247 PolarHBondContact O-N 2.87Å; F245-H249 VanDerWaalsContact O-CA 3.24Å; F245-H249 WeakPolarHBondContact O-CA 3.42Å; F245-H249 PolarHBondContact O-N 2.53Å |
| 246 | K | 91.4 | Very high | 89.5 | Confident | 169 Ų | 169 | 84.4 Ų | 84.4 | 74% | 0.735 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.1 | -29.6 | 177.1 | -177.9 | 168.2 | -179.3 | 174.2 | 0 | 113.6 | G242 L243 | G242-K246 WeakPolarHBondContact O-CB 3.35Å; G242-K246 PolarHBondContact O-N 3.25Å; G242-K246 VanDerWaalsContact O-N 3.11Å; L243-K246 PolarHBondContact O-N 2.77Å |
| 247 | M | 87.3 | Confident | 88 | Confident | 142 Ų | 142 | 86.1 Ų | 86.1 | 70% | 0.7 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -90.3 | -31.3 | -176.5 | -169.4 | 178.1 | 77.9 | 0 | 0 | 113.7 | L243 Y244 F245 | L243-M247 WeakPolarHBondContact O-CB 3.46Å; L243-M247 PolarHBondContact O-N 2.98Å; L243-M247 VanDerWaalsContact O-N 3.07Å; Y244-M247 PolarHBondContact O-N 2.77Å; F245-M247 VanDerWaalsContact C-N 3.27Å; F245-M247 PolarHBondContact O-N 2.87Å |
| 248 | N | 91.4 | Very high | 85.9 | Confident | 58 Ų | 58 | 95 Ų | 95 | 31% | 0.31 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -115.1 | -4.6 | -173.1 | -52.9 | -89.7 | 0 | 0 | 0 | 113.3 | Y244 H250 | Y244-N248 HydrophobicContact CD1-CB 4.4Å; Y244-N248 WeakPolarHBondContact CD2-ND2 3.4Å; Y244-N248 HydrophobicContact CE1-CB 3.98Å; Y244-N248 WeakPolarHBondContact CE2-ND2 3.43Å; Y244-N248 PolarHBondContact O-N 2.89Å; Y244-N248 PolarHBondContact O-ND2 2.84Å; N248-H250 PolarHBondContact O-N 3.3Å; N248-H250 PolarHBondContact O-ND1 3.46Å |
| 249 | H | 87.9 | Confident | 83.7 | Confident | 149 Ų | 149 | 103.8 Ų | 103.8 | 69% | 0.69 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 56.6 | 10.7 | -173 | -58.9 | -81.6 | 0 | 0 | 0 | 115.6 | F245 | F245-H249 VanDerWaalsContact O-CA 3.24Å; F245-H249 WeakPolarHBondContact O-CA 3.42Å; F245-H249 PolarHBondContact O-N 2.53Å |
| 250 | H | 89.6 | Confident | 81.8 | Confident | 134 Ų | 134 | 113.3 Ų | 113.3 | 62% | 0.62 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -127.2 | 155.5 | -176.3 | -70.8 | 81.9 | 0 | 0 | 0 | 111.4 | Y244 N248 | Y244-H250 WeakPolarHBondContact CD1-O 3.32Å; N248-H250 PolarHBondContact O-N 3.3Å; N248-H250 PolarHBondContact O-ND1 3.46Å |
| 251 | A | 86.4 | Confident | 80 | Confident | 69 Ų | 69 | 116.9 Ų | 116.9 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 140.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P253 | A251-P253 WeakPolarHBondContact O-CD 3.33Š|
| 252 | R | 88.6 | Confident | 78.1 | Confident | 104 Ų | 104 | 124.7 Ų | 124.7 | 39% | 0.392 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 126.1 | 179.1 | -172.5 | 178.4 | 173.9 | -127 | -3.7 | 109.8 | N219 C241 Y244 L254 | N219-R252 PolarHBondContact ND2-N 3.42Å; N219-R252 PolarHBondContact ND2-O 3.3Å; C241-R252 HydrophobicContact CB-CB 4.5Å; Y244-R252 HydrophobicContact CD1-CB 3.62Å; Y244-R252 HydrophobicContact CD1-CG 4.03Å; Y244-R252 HydrophobicContact CD2-CG 4.02Å; Y244-R252 HydrophobicContact CE1-CB 4.25Å; Y244-R252 HydrophobicContact CG-CB 3.78Å; Y244-R252 HydrophobicContact CG-CG 3.75Å; R252-L254 WeakPolarHBondContact O-CD1 3.06Å; R252-L254 PolarHBondContact O-N 2.85Å |
| 253 | P | 86.9 | Confident | 76.4 | Confident | 73 Ų | 73 | 128 Ų | 128 | 47% | 0.474 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 125.3 | 177.7 | 25.5 | -33 | 0 | 0 | 0 | 110 | Y244 A251 V255 | Y244-P253 WeakPolarHBondContact OH-CD 3.26Å; A251-P253 WeakPolarHBondContact O-CD 3.33Å; P253-V255 PolarHBondContact O-N 2.66Å |
| 254 | L | 81.9 | Confident | 74.6 | Confident | 105 Ų | 105 | 130.7 Ų | 130.7 | 55% | 0.55 | 64% | 0.642 | S | S | . | * | | | trans | -76.8 | 69.6 | 175.5 | -96 | 62.4 | 0 | 0 | 0 | 110.4 | N219 C220 R252 K256 | N219-L254 WeakPolarHBondContact O-CD1 3.32Å; C220-L254 HydrophobicContact CB-CD1 3.85Å; C220-L254 HydrophobicContact CB-CD2 4.46Å; C220-L254 HydrophobicContact CB-CG 4.35Å; R252-L254 WeakPolarHBondContact O-CD1 3.06Å; R252-L254 PolarHBondContact O-N 2.85Å; L254-K256 PolarHBondContact O-N 2.79Å |
| 255 | V | 79.4 | Confident | 73 | Confident | 125 Ų | 125 | 135.8 Ų | 135.8 | 76% | 0.758 | 67% | 0.666 | S | S | * | * | | | trans | -62.2 | 91.7 | 158.6 | -177.3 | 0 | 0 | 0 | 0 | 106.5 | P253 P257 | P253-V255 PolarHBondContact O-N 2.66Å; V255-P257 WeakPolarHBondContact O-CD 3.06Å |
| 256 | K | 70.8 | Confident | 71.4 | Confident | 185 Ų | 185 | 138.8 Ų | 138.8 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | | | trans | -48.6 | 114.4 | 177 | -69 | 176 | -179.1 | 173.9 | 0 | 106.5 | L254 K258 | L254-K256 PolarHBondContact O-N 2.79Å; K256-K258 PolarHBondContact O-N 3.03Å |
| 257 | P | 62.6 | Low | 70.1 | Confident | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 68% | 0.678 | S | S | * | * | | | trans | -60.9 | 110.6 | -178.3 | 23.8 | -32.2 | 0 | 0 | 0 | 106.3 | V255 K259 | V255-P257 WeakPolarHBondContact O-CD 3.06Å; P257-K259 PolarHBondContact O-N 2.79Å |
| 258 | K | 49.6 | Very low | 69.9 | Low | 199 Ų | 199 | 134.3 Ų | 134.3 | 87% | 0.865 | 69% | 0.685 | S | S | * | * | | | trans | -49.9 | 106.9 | -175.1 | -175.8 | 171.3 | -174.9 | 171.2 | 0 | 106.2 | K256 R260 | K256-K258 PolarHBondContact O-N 3.03Å; K258-R260 PolarHBondContact O-N 3.3Å |
| 259 | K | 51.1 | Low | 69.9 | Low | 191 Ų | 191 | 134 Ų | 134 | 83% | 0.83 | 68% | 0.683 | S | S | * | * | | | trans | -47.5 | 124.2 | -171.3 | -84 | -173.7 | 177 | 179.8 | 0 | 105.3 | P257 Q261 | P257-K259 PolarHBondContact O-N 2.79Å; K259-Q261 PolarHBondContact O-N 3.18Å |
| 260 | R | 53.6 | Low | 70.3 | Confident | 242 Ų | 242 | 131 Ų | 131 | 91% | 0.913 | 67% | 0.67 | S | S | * | * | | | trans | -66.9 | 80.5 | 172.3 | -74.2 | -174.6 | 68.2 | -162.5 | -1.6 | 106.2 | K258 N262 | K258-R260 PolarHBondContact O-N 3.3Å; R260-N262 PolarHBondContact O-N 3.13Å |
| 261 | Q | 56.5 | Low | 70.6 | Confident | 121 Ų | 121 | 124.7 Ų | 124.7 | 57% | 0.565 | 64% | 0.64 | S | S | * | * | | | trans | -50.9 | 113.6 | 176.3 | -78.3 | -178.3 | -34.6 | 0 | 0 | 105.2 | K259 A263 Q264 | K259-Q261 PolarHBondContact O-N 3.18Å; Q261-A263 WeakPolarHBondContact O-CA 3.09Å; Q261-A263 PolarHBondContact O-N 2.94Å; Q261-Q264 HydrophobicContact CB-CG 4.3Å; Q261-Q264 PolarHBondContact O-N 3Å |
| 262 | N | 53.9 | Low | 71.1 | Confident | 166 Ų | 166 | 124.9 Ų | 124.9 | 89% | 0.888 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | 105.1 | -160.1 | -175.7 | 27.1 | 0 | 0 | 0 | 108.4 | R260 Q264 | R260-N262 PolarHBondContact O-N 3.13Å; N262-Q264 PolarHBondContact O-N 2.91Å; N262-Q264 VanDerWaalsContact O-N 3.09Å |
| 263 | A | 57.9 | Low | 71.5 | Confident | 80 Ų | 80 | 120.9 Ų | 120.9 | 66% | 0.661 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -25.1 | 98.1 | -135.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q261 K265 | Q261-A263 WeakPolarHBondContact O-CA 3.09Å; Q261-A263 PolarHBondContact O-N 2.94Å; A263-K265 WeakPolarHBondContact O-CA 3.07Å; A263-K265 PolarHBondContact O-N 2.98Å |
| 264 | Q | 55.2 | Low | 71.9 | Confident | 139 Ų | 139 | 117.9 Ų | 117.9 | 65% | 0.65 | 60% | 0.601 | S | S | * | * | | | trans | -35.4 | 113 | 177.7 | -100.4 | -174.1 | -40.5 | 0 | 0 | 107.3 | Q261 N262 R266 | Q261-Q264 HydrophobicContact CB-CG 4.3Å; Q261-Q264 PolarHBondContact O-N 3Å; N262-Q264 PolarHBondContact O-N 2.91Å; N262-Q264 VanDerWaalsContact O-N 3.09Å; Q264-R266 PolarHBondContact O-N 2.88Å |
| 265 | K | 58.3 | Low | 72.5 | Confident | 180 Ų | 180 | 122.3 Ų | 122.3 | 78% | 0.783 | 61% | 0.61 | S | S | * | * | | | trans | -44.8 | 115.6 | -162.3 | -72.3 | -179.4 | 179.8 | 177 | 0 | 107.4 | A263 T267 | A263-K265 WeakPolarHBondContact O-CA 3.07Å; A263-K265 PolarHBondContact O-N 2.98Å; K265-T267 HydrophobicContact CB-CG2 4.47Å; K265-T267 PolarHBondContact O-N 3.44Å |
| 266 | R | 59.3 | Low | 73.2 | Confident | 165 Ų | 165 | 117.5 Ų | 117.5 | 62% | 0.623 | 58% | 0.582 | S | S | * | * | | | trans | -72 | 78.3 | 177.8 | -75 | -169.7 | 175.8 | -178.2 | -5.8 | 107.5 | Q264 G268 I269 | Q264-R266 PolarHBondContact O-N 2.88Å; R266-G268 PolarHBondContact O-N 3.3Å; R266-I269 HydrophobicContact CB-CB 4.37Å; R266-I269 HydrophobicContact CB-CD1 3.95Å; R266-I269 HydrophobicContact CB-CG1 4.07Å; R266-I269 HydrophobicContact CG-CD1 4.44Å; R266-I269 PolarHBondContact O-N 3.41Å |
| 267 | T | 64.4 | Low | 74.3 | Confident | 134 Ų | 134 | 113.2 Ų | 113.2 | 82% | 0.822 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 118.5 | -179 | 41.2 | 0 | 0 | 0 | 0 | 108.4 | K265 | K265-T267 HydrophobicContact CB-CG2 4.47Å; K265-T267 PolarHBondContact O-N 3.44Å |
| 268 | G | 82.9 | Confident | 75.8 | Confident | 82 Ų | 82 | 111 Ų | 111 | 85% | 0.845 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100 | -1.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116 | R266 | R266-G268 PolarHBondContact O-N 3.3Š|
| 269 | I | 91.7 | Very high | 77.8 | Confident | 51 Ų | 51 | 103 Ų | 103 | 26% | 0.262 | 52% | 0.52 | S | S | . | . | | | trans | -105.8 | 111.5 | 168 | -48.8 | -173.2 | 0 | 0 | 0 | 110.4 | R266 W282 P290 | R266-I269 HydrophobicContact CB-CB 4.37Å; R266-I269 HydrophobicContact CB-CD1 3.95Å; R266-I269 HydrophobicContact CB-CG1 4.07Å; R266-I269 HydrophobicContact CG-CD1 4.44Å; R266-I269 PolarHBondContact O-N 3.41Å; I269-W282 HydrophobicContact CB-CH2 4.46Å; I269-W282 HydrophobicContact CB-CZ2 4.13Å; I269-W282 HydrophobicContact CG2-CD2 3.9Å; I269-W282 HydrophobicContact CG2-CE3 3.93Å; I269-W282 HydrophobicContact CG2-CH2 3.77Å; I269-W282 HydrophobicContact CG2-CZ2 3.72Å; I269-W282 HydrophobicContact CG2-CZ3 3.87Å; I269-W282 WeakPolarHBondContact O-CH2 3.46Å; I269-W282 WeakPolarHBondContact O-CZ2 3.36Å; I269-P290 HydrophobicContact CG2-CB 3.96Å; I269-P290 HydrophobicContact CG2-CG 4.4Å |
| 270 | E | 95.4 | Very high | 79.8 | Confident | 88 Ų | 88 | 98.8 Ų | 98.8 | 41% | 0.411 | 51% | 0.51 | S | S | . | . | | | trans | -114.1 | 171.9 | 167.7 | 69.9 | 173.3 | 169.7 | 0 | 0 | 111.7 | R275 N277 W282 P290 | E270-R275 WeakPolarHBondContact OE2-CB 3.41Å; E270-N277 WeakPolarHBondContact CB-OD1 3.19Å; E270-W282 WeakPolarHBondContact O-CZ3 3.4Å; E270-P290 WeakPolarHBondContact O-CG 3.38Å |
| 271 | C | 96.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 91.4 Ų | 91.4 | 0% | 0 | 49% | 0.488 | C | S | . | . | | | trans | -97.2 | 117.8 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | N273 C274 R275 T276 W282 P290 V291 C292 | C271-N273 VanDerWaalsContact C-N 3.31Å; C271-N273 PolarHBondContact O-N 2.82Å; C271-N273 VanDerWaalsContact O-N 3.14Å; C271-C274 PolarHBondContact O-N 3.16Å; C271-C274 PolarHBondContact SG-SG 2.94Å; C271-R275 WeakPolarHBondContact O-CA 3.46Å; C271-R275 PolarHBondContact O-N 3.09Å; C271-T276 PolarHBondContact N-O 3.5Å; C271-W282 HydrophobicContact CB-CZ3 4.08Å; C271-P290 WeakPolarHBondContact CA-O 3.48Å; C271-V291 VanDerWaalsContact SG-CA 3.58Å; C271-C292 HydrophobicContact CB-CB 3.88Å; C271-C292 PolarHBondContact SG-N 3.04Å |
| 272 | V | 96.5 | Very high | 83.5 | Confident | 73 Ų | 73 | 88.7 Ų | 88.7 | 44% | 0.442 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -42.1 | -173.5 | -65 | 0 | 0 | 0 | 0 | 114.2 | H289 P290 V291 | V272-H289 HydrophobicContact CG1-CB 4.06Å; V272-H289 HydrophobicContact CG2-CB 4.26Å; V272-P290 PolarHBondContact N-O 3.39Å; V272-P290 VanDerWaalsContact N-O 3.12Å; V272-V291 HydrophobicContact CG2-CG1 3.69Å |
| 273 | N | 96.6 | Very high | 85.5 | Confident | 21 Ų | 21 | 85 Ų | 85 | 11% | 0.112 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -24.9 | 179.2 | 156.1 | -90.5 | 0 | 0 | 0 | 115 | C271 C295 E305 R306 I308 | C271-N273 VanDerWaalsContact C-N 3.31Å; C271-N273 PolarHBondContact O-N 2.82Å; C271-N273 VanDerWaalsContact O-N 3.14Å; N273-C295 HydrophobicContact CB-CB 4.47Å; N273-C295 WeakPolarHBondContact OD1-CB 3.49Å; N273-C295 PolarHBondContact OD1-SG 2.71Å; N273-E305 PolarHBondContact ND2-OE2 3.29Å; N273-R306 PolarHBondContact ND2-N 2.85Å; N273-R306 PolarHBondContact ND2-O 2.98Å; N273-R306 VanDerWaalsContact ND2-O 3.07Å; N273-I308 WeakPolarHBondContact O-CD1 3.42Å |
| 274 | C | 95.8 | Very high | 87.4 | Confident | 10 Ų | 10 | 90.4 Ų | 90.4 | 7% | 0.068 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -143.7 | 8 | -168.8 | 77.4 | 0 | 0 | 0 | 0 | 116.8 | C271 T276 C295 I308 | C271-C274 PolarHBondContact O-N 3.16Å; C271-C274 PolarHBondContact SG-SG 2.94Å; C274-T276 PolarHBondContact O-N 2.7Å; C274-T276 PolarHBondContact O-OG1 2.8Å; C274-T276 PolarHBondContact SG-OG1 3.13Å; C274-C295 PolarHBondContact SG-SG 3.39Å; C274-I308 HydrophobicContact CB-CD1 4.33Å |
| 275 | R | 95.3 | Very high | 89.2 | Confident | 197 Ų | 197 | 85.9 Ų | 85.9 | 74% | 0.743 | 43% | 0.43 | S | S | * | . | | | trans | 47.2 | 36.8 | 175.4 | -56.5 | -176.6 | -169.9 | 159.2 | 2.2 | 114 | E270 C271 N277 | E270-R275 WeakPolarHBondContact OE2-CB 3.41Å; C271-R275 WeakPolarHBondContact O-CA 3.46Å; C271-R275 PolarHBondContact O-N 3.09Å; R275-N277 PolarHBondContact O-OD1 3.12Å |
| 276 | T | 94.2 | Very high | 90.9 | Very high | 25 Ų | 25 | 81.4 Ų | 81.4 | 15% | 0.153 | 44% | 0.435 | C | S | . | . | | | trans | -98.5 | 116.2 | 178.5 | -67 | 0 | 0 | 0 | 0 | 109.8 | C271 C274 T278 W282 | C271-T276 PolarHBondContact N-O 3.5Å; C274-T276 PolarHBondContact O-N 2.7Å; C274-T276 PolarHBondContact O-OG1 2.8Å; C274-T276 PolarHBondContact SG-OG1 3.13Å; T276-T278 VanDerWaalsContact C-N 3.31Å; T276-T278 VanDerWaalsContact CG2-O 3.23Å; T276-T278 WeakPolarHBondContact CG2-O 3.35Å; T276-W282 VanDerWaalsContact O-CH2 3.32Å; T276-W282 WeakPolarHBondContact O-CH2 3.47Å |
| 277 | N | 94.3 | Very high | 92.6 | Very high | 94 Ų | 94 | 80.5 Ų | 80.5 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | | | trans | -90.2 | 0.3 | -176.1 | -55.7 | 12.3 | 0 | 0 | 0 | 112.1 | E270 R275 | E270-N277 WeakPolarHBondContact CB-OD1 3.19Å; R275-N277 PolarHBondContact O-OD1 3.12Å |
| 278 | T | 92.4 | Very high | 94 | Very high | 74 Ų | 74 | 75.2 Ų | 75.2 | 45% | 0.454 | 41% | 0.41 | S | S | . | . | | | trans | -125.7 | 105.9 | -173.9 | 43.8 | 0 | 0 | 0 | 0 | 110.3 | T276 | T276-T278 VanDerWaalsContact C-N 3.31Å; T276-T278 VanDerWaalsContact CG2-O 3.23Å; T276-T278 WeakPolarHBondContact CG2-O 3.35Å |
| 279 | T | 93 | Very high | 94.6 | Very high | 31 Ų | 31 | 76.1 Ų | 76.1 | 19% | 0.19 | 39% | 0.392 | C | S | . | . | | | trans | -140.1 | 153 | 179.2 | -163 | 0 | 0 | 0 | 0 | 112.8 | L281 W282 C292 N293 | T279-L281 VanDerWaalsContact C-N 3.3Å; T279-L281 WeakPolarHBondContact CG2-O 3.39Å; T279-L281 PolarHBondContact OG1-O 3.22Å; T279-W282 HydrophobicContact CG2-CD2 3.48Å; T279-W282 VanDerWaalsContact CG2-CD2 3.48Å; T279-W282 HydrophobicContact CG2-CE3 3.89Å; T279-W282 HydrophobicContact CG2-CG 3.79Å; T279-W282 HydrophobicContact CG2-CH2 4.34Å; T279-W282 HydrophobicContact CG2-CZ2 3.99Å; T279-W282 HydrophobicContact CG2-CZ3 4.3Å; T279-C292 HydrophobicContact CG2-CB 4.3Å; T279-C292 WeakPolarHBondContact OG1-CB 3.5Å; T279-N293 PolarHBondContact OG1-N 2.93Å |
| 280 | T | 92.3 | Very high | 94.8 | Very high | 102 Ų | 102 | 75.9 Ų | 75.9 | 63% | 0.626 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -72.9 | -23.7 | 177.4 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | I315 | T280-I315 HydrophobicContact CG2-CD1 4.42Å; T280-I315 HydrophobicContact CG2-CG2 3.53Å |
| 281 | L | 93.2 | Very high | 94.9 | Very high | 87 Ų | 87 | 72.1 Ų | 72.1 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -156.4 | 124.9 | 175.5 | 175.5 | 62.8 | 0 | 0 | 0 | 109.3 | T279 N293 | T279-L281 VanDerWaalsContact C-N 3.3Å; T279-L281 WeakPolarHBondContact CG2-O 3.39Å; T279-L281 PolarHBondContact OG1-O 3.22Å; L281-N293 HydrophobicContact CB-CB 4.16Å; L281-N293 WeakPolarHBondContact O-CB 3.21Å; L281-N293 PolarHBondContact O-N 3.12Å; L281-N293 VanDerWaalsContact O-N 3.08Å |
| 282 | W | 95.2 | Very high | 94.9 | Very high | 64 Ų | 64 | 72.4 Ų | 72.4 | 24% | 0.242 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 137.7 | 167.3 | -71.7 | 107.4 | 0 | 0 | 0 | 110 | I269 E270 C271 T276 T279 P290 | I269-W282 HydrophobicContact CB-CH2 4.46Å; I269-W282 HydrophobicContact CB-CZ2 4.13Å; I269-W282 HydrophobicContact CG2-CD2 3.9Å; I269-W282 HydrophobicContact CG2-CE3 3.93Å; I269-W282 HydrophobicContact CG2-CH2 3.77Å; I269-W282 HydrophobicContact CG2-CZ2 3.72Å; I269-W282 HydrophobicContact CG2-CZ3 3.87Å; I269-W282 WeakPolarHBondContact O-CH2 3.46Å; I269-W282 WeakPolarHBondContact O-CZ2 3.36Å; E270-W282 WeakPolarHBondContact O-CZ3 3.4Å; C271-W282 HydrophobicContact CB-CZ3 4.08Å; T276-W282 VanDerWaalsContact O-CH2 3.32Å; T276-W282 WeakPolarHBondContact O-CH2 3.47Å; T279-W282 HydrophobicContact CG2-CD2 3.48Å; T279-W282 VanDerWaalsContact CG2-CD2 3.48Å; T279-W282 HydrophobicContact CG2-CE3 3.89Å; T279-W282 HydrophobicContact CG2-CG 3.79Å; T279-W282 HydrophobicContact CG2-CH2 4.34Å; T279-W282 HydrophobicContact CG2-CZ2 3.99Å; T279-W282 HydrophobicContact CG2-CZ3 4.3Å; W282-P290 HydrophobicContact CE3-CB 4.33Å; W282-P290 HydrophobicContact CZ3-CB 4.49Å |
| 283 | R | 96 | Very high | 94.9 | Very high | 87 Ų | 87 | 70.5 Ų | 70.5 | 33% | 0.328 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 172 | 174.8 | -66.2 | -179.9 | 178.6 | -79 | -5.9 | 109 | V291 N293 | R283-V291 HydrophobicContact CB-CG2 3.83Å; R283-V291 PolarHBondContact N-O 2.89Å; R283-V291 PolarHBondContact O-N 2.81Å; R283-N293 VanDerWaalsContact CZ-OD1 3.31Å; R283-N293 PolarHBondContact NE-OD1 2.81Å; R283-N293 PolarHBondContact NH2-OD1 3.06Å |
| 284 | R | 96.5 | Very high | 95 | Very high | 194 Ų | 194 | 71.6 Ų | 71.6 | 73% | 0.732 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 150.2 | 166.8 | -64.3 | -176.1 | -176.8 | -95.9 | 11.8 | 109.8 | G288 H289 | R284-G288 WeakPolarHBondContact CD-O 3.28Å; R284-G288 VanDerWaalsContact CG-O 3.32Å; R284-G288 WeakPolarHBondContact CG-O 3.42Å; R284-G288 PolarHBondContact NH1-O 2.79Å; R284-H289 CarbonylContact C-O 3.6Å; R284-H289 VanDerWaalsContact CA-O 3.26Å; R284-H289 WeakPolarHBondContact CA-O 3.31Å |
| 285 | N | 94.4 | Very high | 95 | Very high | 45 Ų | 45 | 71.4 Ų | 71.4 | 24% | 0.241 | 38% | 0.376 | C | S | . | . | | | trans | -83.3 | -169 | 165 | 74 | -11 | 0 | 0 | 0 | 110.5 | E287 G288 H289 V291 | N285-E287 PolarHBondContact ND2-OE2 2.99Å; N285-E287 PolarHBondContact OD1-N 2.87Å; N285-G288 PolarHBondContact O-N 2.95Å; N285-G288 PolarHBondContact OD1-N 3.21Å; N285-H289 PolarHBondContact N-O 3.46Å; N285-H289 PolarHBondContact OD1-N 2.85Å; N285-V291 HydrophobicContact CB-CG1 4.19Å |
| 286 | G | 93.7 | Very high | 95.1 | Very high | 85 Ų | 85 | 62.8 Ų | 62.8 | 88% | 0.876 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -37.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G288 | G286-G288 PolarHBondContact O-N 3.46Š|
| 287 | E | 93.6 | Very high | 95.2 | Very high | 147 Ų | 147 | 65.6 Ų | 65.6 | 69% | 0.687 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -4.5 | 176.5 | -57.2 | 119.3 | -151.4 | 0 | 0 | 113.5 | N285 H289 | N285-E287 PolarHBondContact ND2-OE2 2.99Å; N285-E287 PolarHBondContact OD1-N 2.87Å; E287-H289 IonicContact OE2-CD2 2.62Å; E287-H289 PolarHBondContact OE2-CD2 3Å |
| 288 | G | 94.1 | Very high | 95.4 | Very high | 23 Ų | 23 | 63.4 Ų | 63.4 | 24% | 0.237 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 88.1 | -4.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R284 N285 G286 | R284-G288 WeakPolarHBondContact CD-O 3.28Å; R284-G288 VanDerWaalsContact CG-O 3.32Å; R284-G288 WeakPolarHBondContact CG-O 3.42Å; R284-G288 PolarHBondContact NH1-O 2.79Å; N285-G288 PolarHBondContact O-N 2.95Å; N285-G288 PolarHBondContact OD1-N 3.21Å; G286-G288 PolarHBondContact O-N 3.46Å |
| 289 | H | 95.3 | Very high | 95.7 | Very high | 100 Ų | 100 | 64.7 Ų | 64.7 | 46% | 0.463 | 35% | 0.347 | S | S | . | . | | | trans | -65.4 | 149.4 | 178.9 | -68.5 | -57.1 | 0 | 0 | 0 | 113.1 | V272 R284 N285 E287 V291 | V272-H289 HydrophobicContact CG1-CB 4.06Å; V272-H289 HydrophobicContact CG2-CB 4.26Å; R284-H289 CarbonylContact C-O 3.6Å; R284-H289 VanDerWaalsContact CA-O 3.26Å; R284-H289 WeakPolarHBondContact CA-O 3.31Å; N285-H289 PolarHBondContact N-O 3.46Å; N285-H289 PolarHBondContact OD1-N 2.85Å; E287-H289 IonicContact OE2-CD2 2.62Å; E287-H289 PolarHBondContact OE2-CD2 3Å; H289-V291 PolarHBondContact O-N 3.5Å |
| 290 | P | 96.5 | Very high | 95.8 | Very high | 46 Ų | 46 | 71.1 Ų | 71.1 | 30% | 0.299 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 127.9 | -177.4 | 28.6 | -34.7 | 0 | 0 | 0 | 112.6 | I269 E270 C271 V272 W282 | I269-P290 HydrophobicContact CG2-CB 3.96Å; I269-P290 HydrophobicContact CG2-CG 4.4Å; E270-P290 WeakPolarHBondContact O-CG 3.38Å; C271-P290 WeakPolarHBondContact CA-O 3.48Å; V272-P290 PolarHBondContact N-O 3.39Å; V272-P290 VanDerWaalsContact N-O 3.12Å; W282-P290 HydrophobicContact CE3-CB 4.33Å; W282-P290 HydrophobicContact CZ3-CB 4.49Å |
| 291 | V | 97.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 72.5 Ų | 72.5 | 6% | 0.055 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 149.8 | 170.5 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | C271 V272 R283 N285 H289 | C271-V291 VanDerWaalsContact SG-CA 3.58Å; V272-V291 HydrophobicContact CG2-CG1 3.69Å; R283-V291 HydrophobicContact CB-CG2 3.83Å; R283-V291 PolarHBondContact N-O 2.89Å; R283-V291 PolarHBondContact O-N 2.81Å; N285-V291 HydrophobicContact CB-CG1 4.19Å; H289-V291 PolarHBondContact O-N 3.5Å |
| 292 | C | 97.1 | Very high | 96.3 | Very high | 6 Ų | 6 | 73 Ų | 73 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 161.5 | 177.3 | 89.4 | 0 | 0 | 0 | 0 | 110.9 | C271 T279 A294 C295 G296 | C271-C292 HydrophobicContact CB-CB 3.88Å; C271-C292 PolarHBondContact SG-N 3.04Å; T279-C292 HydrophobicContact CG2-CB 4.3Å; T279-C292 WeakPolarHBondContact OG1-CB 3.5Å; C292-A294 PolarHBondContact O-N 3.03Å; C292-C295 PolarHBondContact O-N 3.09Å; C292-C295 PolarHBondContact SG-SG 3.25Å; C292-G296 PolarHBondContact O-N 3.44Å; C292-G296 VanDerWaalsContact O-N 3.08Å |
| 293 | N | 97.4 | Very high | 96.3 | Very high | 34 Ų | 34 | 77.5 Ų | 77.5 | 18% | 0.182 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56.7 | -35.3 | -178.6 | -175.8 | 60.9 | 0 | 0 | 0 | 113.5 | T279 L281 R283 L297 | T279-N293 PolarHBondContact OG1-N 2.93Å; L281-N293 HydrophobicContact CB-CB 4.16Å; L281-N293 WeakPolarHBondContact O-CB 3.21Å; L281-N293 PolarHBondContact O-N 3.12Å; L281-N293 VanDerWaalsContact O-N 3.08Å; R283-N293 VanDerWaalsContact CZ-OD1 3.31Å; R283-N293 PolarHBondContact NE-OD1 2.81Å; R283-N293 PolarHBondContact NH2-OD1 3.06Å; N293-L297 WeakPolarHBondContact ND2-CD1 3.28Å; N293-L297 WeakPolarHBondContact O-CB 3.44Å; N293-L297 WeakPolarHBondContact O-CD1 3.47Å; N293-L297 WeakPolarHBondContact O-CG 3.49Å; N293-L297 PolarHBondContact O-N 3.16Å |
| 294 | A | 96.9 | Very high | 96.3 | Very high | 43 Ų | 43 | 77.3 Ų | 77.3 | 36% | 0.355 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.6 | -45.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | C292 L297 Y298 | C292-A294 PolarHBondContact O-N 3.03Å; A294-L297 PolarHBondContact O-N 2.87Å; A294-Y298 WeakPolarHBondContact O-CB 3.48Å; A294-Y298 PolarHBondContact O-N 2.87Å |
| 295 | C | 97.4 | Very high | 96.3 | Very high | 6 Ų | 6 | 74 Ų | 74 | 4% | 0.041 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69.9 | -45.3 | -178.7 | -52.2 | 0 | 0 | 0 | 0 | 111.5 | N273 C274 C292 L297 Y298 F299 R306 | N273-C295 HydrophobicContact CB-CB 4.47Å; N273-C295 WeakPolarHBondContact OD1-CB 3.49Å; N273-C295 PolarHBondContact OD1-SG 2.71Å; C274-C295 PolarHBondContact SG-SG 3.39Å; C292-C295 PolarHBondContact O-N 3.09Å; C292-C295 PolarHBondContact SG-SG 3.25Å; C295-L297 VanDerWaalsContact C-N 3.27Å; C295-L297 PolarHBondContact O-N 3.22Å; C295-Y298 PolarHBondContact O-N 3.27Å; C295-F299 PolarHBondContact O-N 3.3Å; C295-R306 HydrophobicContact CB-CB 4.31Å |
| 296 | G | 97.1 | Very high | 96.4 | Very high | 17 Ų | 17 | 73.8 Ų | 73.8 | 18% | 0.175 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.1 | -24.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | C292 K300 | C292-G296 PolarHBondContact O-N 3.44Å; C292-G296 VanDerWaalsContact O-N 3.08Å; G296-K300 WeakPolarHBondContact O-CB 3.46Å; G296-K300 PolarHBondContact O-N 3.23Å |
| 297 | L | 96.9 | Very high | 96.6 | Very high | 83 Ų | 83 | 72.1 Ų | 72.1 | 44% | 0.435 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -80 | -41.2 | 170.6 | -74.4 | 174.1 | 0 | 0 | 0 | 112.1 | N293 A294 C295 K300 L301 | N293-L297 WeakPolarHBondContact ND2-CD1 3.28Å; N293-L297 WeakPolarHBondContact O-CB 3.44Å; N293-L297 WeakPolarHBondContact O-CD1 3.47Å; N293-L297 WeakPolarHBondContact O-CG 3.49Å; N293-L297 PolarHBondContact O-N 3.16Å; A294-L297 PolarHBondContact O-N 2.87Å; C295-L297 VanDerWaalsContact C-N 3.27Å; C295-L297 PolarHBondContact O-N 3.22Å; L297-K300 PolarHBondContact O-N 2.85Å; L297-L301 PolarHBondContact O-N 2.83Å; L297-L301 VanDerWaalsContact O-N 3.13Å |
| 298 | Y | 97.9 | Very high | 96.6 | Very high | 49 Ų | 49 | 70.1 Ų | 70.1 | 19% | 0.192 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.8 | -50.6 | 178.1 | -174 | -88.8 | 0 | 0 | 0 | 111.5 | A294 C295 K300 L301 H302 V304 E305 R306 M310 | A294-Y298 WeakPolarHBondContact O-CB 3.48Å; A294-Y298 PolarHBondContact O-N 2.87Å; C295-Y298 PolarHBondContact O-N 3.27Å; Y298-K300 VanDerWaalsContact C-N 3.31Å; Y298-K300 PolarHBondContact O-N 3.48Å; Y298-L301 PolarHBondContact O-N 3.01Å; Y298-L301 VanDerWaalsContact O-N 3.09Å; Y298-H302 AromaticContact CD2-CD2 3.53Å; Y298-H302 HydrophobicContact CE1-CB 4.23Å; Y298-H302 AromaticContact CE2-CD2 3.48Å; Y298-H302 VanDerWaalsContact CE2-CD2 3.48Å; Y298-H302 WeakPolarHBondContact CE2-CD2 3.38Å; Y298-H302 AromaticContact CE2-NE2 3.88Å; Y298-H302 AromaticContact CG-CD2 3.94Å; Y298-H302 AromaticContact CZ-CD2 3.84Å; Y298-H302 PolarHBondContact O-N 3.32Å; Y298-V304 WeakPolarHBondContact CD1-O 3.5Å; Y298-V304 HydrophobicContact CE1-CG2 4.05Å; Y298-E305 WeakPolarHBondContact CE1-O 3.38Å; Y298-R306 VanDerWaalsContact CD1-CA 3.46Å; Y298-R306 HydrophobicContact CD1-CB 3.65Å; Y298-R306 HydrophobicContact CD1-CG 3.96Å; Y298-R306 HydrophobicContact CD2-CG 4.18Å; Y298-R306 HydrophobicContact CE1-CB 4.27Å; Y298-R306 HydrophobicContact CE1-CG 4.48Å; Y298-R306 HydrophobicContact CG-CB 3.91Å; Y298-R306 HydrophobicContact CG-CG 3.78Å; Y298-M310 HydrophobicContact CE2-CE 4.47Å; Y298-M310 HydrophobicContact CE2-SD 3.89Å |
| 299 | F | 97.4 | Very high | 96.7 | Very high | 101 Ų | 101 | 75.5 Ų | 75.5 | 44% | 0.443 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 176.7 | -175.5 | -92.4 | 0 | 0 | 0 | 112.3 | C295 L301 K303 | C295-F299 PolarHBondContact O-N 3.3Å; F299-L301 VanDerWaalsContact C-N 3.28Å; F299-L301 PolarHBondContact O-N 3.49Å; F299-K303 WeakPolarHBondContact CE2-O 3.45Å; F299-K303 VanDerWaalsContact O-CA 3.24Å; F299-K303 WeakPolarHBondContact O-CA 3.41Å; F299-K303 PolarHBondContact O-N 3.41Å |
| 300 | K | 96.5 | Very high | 96.6 | Very high | 165 Ų | 165 | 75.3 Ų | 75.3 | 72% | 0.717 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64 | -33 | 176.4 | -178.1 | 165.3 | -179.7 | 168.5 | 0 | 112.8 | G296 L297 Y298 | G296-K300 WeakPolarHBondContact O-CB 3.46Å; G296-K300 PolarHBondContact O-N 3.23Å; L297-K300 PolarHBondContact O-N 2.85Å; Y298-K300 VanDerWaalsContact C-N 3.31Å; Y298-K300 PolarHBondContact O-N 3.48Å |
| 301 | L | 97.4 | Very high | 96.4 | Very high | 131 Ų | 131 | 77 Ų | 77 | 69% | 0.686 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -85.1 | -46.1 | -179.1 | -179 | 58.8 | 0 | 0 | 0 | 112.8 | L297 Y298 F299 | L297-L301 PolarHBondContact O-N 2.83Å; L297-L301 VanDerWaalsContact O-N 3.13Å; Y298-L301 PolarHBondContact O-N 3.01Å; Y298-L301 VanDerWaalsContact O-N 3.09Å; F299-L301 VanDerWaalsContact C-N 3.28Å; F299-L301 PolarHBondContact O-N 3.49Å |
| 302 | H | 97.1 | Very high | 96.2 | Very high | 99 Ų | 99 | 82.5 Ų | 82.5 | 46% | 0.458 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -104.8 | -7.6 | -170.3 | -61 | -76 | 0 | 0 | 0 | 114.6 | Y298 V304 | Y298-H302 AromaticContact CD2-CD2 3.53Å; Y298-H302 HydrophobicContact CE1-CB 4.23Å; Y298-H302 AromaticContact CE2-CD2 3.48Å; Y298-H302 VanDerWaalsContact CE2-CD2 3.48Å; Y298-H302 WeakPolarHBondContact CE2-CD2 3.38Å; Y298-H302 AromaticContact CE2-NE2 3.88Å; Y298-H302 AromaticContact CG-CD2 3.94Å; Y298-H302 AromaticContact CZ-CD2 3.84Å; Y298-H302 PolarHBondContact O-N 3.32Å; H302-V304 HydrophobicContact CB-CG2 3.9Å; H302-V304 PolarHBondContact O-N 2.92Å |
| 303 | K | 96.7 | Very high | 95.7 | Very high | 158 Ų | 158 | 88.2 Ų | 88.2 | 69% | 0.687 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 61.4 | 2.7 | -176.3 | -54.4 | -62.7 | -173.7 | 163.9 | 0 | 116.3 | F299 | F299-K303 WeakPolarHBondContact CE2-O 3.45Å; F299-K303 VanDerWaalsContact O-CA 3.24Å; F299-K303 WeakPolarHBondContact O-CA 3.41Å; F299-K303 PolarHBondContact O-N 3.41Å |
| 304 | V | 96.4 | Very high | 95.3 | Very high | 82 Ų | 82 | 88.8 Ų | 88.8 | 50% | 0.497 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -115.3 | 156.2 | 176.8 | -68.4 | 0 | 0 | 0 | 0 | 112 | Y298 H302 | Y298-V304 WeakPolarHBondContact CD1-O 3.5Å; Y298-V304 HydrophobicContact CE1-CG2 4.05Å; H302-V304 HydrophobicContact CB-CG2 3.9Å; H302-V304 PolarHBondContact O-N 2.92Å |
| 305 | E | 95.7 | Very high | 95 | Very high | 126 Ų | 126 | 91 Ų | 91 | 59% | 0.589 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 144.8 | 172 | -80.5 | -81.2 | 107.3 | 0 | 0 | 111.5 | N273 Y298 P307 | N273-E305 PolarHBondContact ND2-OE2 3.29Å; Y298-E305 WeakPolarHBondContact CE1-O 3.38Å; E305-P307 WeakPolarHBondContact O-CD 3.42Å |
| 306 | R | 97.2 | Very high | 94.6 | Very high | 40 Ų | 40 | 97.7 Ų | 97.7 | 15% | 0.151 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 122 | 179.8 | -172 | -179.8 | -178.4 | -80.8 | 4.2 | 110.1 | N273 C295 Y298 M310 | N273-R306 PolarHBondContact ND2-N 2.85Å; N273-R306 PolarHBondContact ND2-O 2.98Å; N273-R306 VanDerWaalsContact ND2-O 3.07Å; C295-R306 HydrophobicContact CB-CB 4.31Å; Y298-R306 VanDerWaalsContact CD1-CA 3.46Å; Y298-R306 HydrophobicContact CD1-CB 3.65Å; Y298-R306 HydrophobicContact CD1-CG 3.96Å; Y298-R306 HydrophobicContact CD2-CG 4.18Å; Y298-R306 HydrophobicContact CE1-CB 4.27Å; Y298-R306 HydrophobicContact CE1-CG 4.48Å; Y298-R306 HydrophobicContact CG-CB 3.91Å; Y298-R306 HydrophobicContact CG-CG 3.78Å; R306-M310 VanDerWaalsContact NH1-C 3.29Å; R306-M310 PolarHBondContact NH1-O 3.11Å; R306-M310 PolarHBondContact NH2-O 3.07Å |
| 307 | P | 96.6 | Very high | 94.2 | Very high | 49 Ų | 49 | 103.6 Ų | 103.6 | 32% | 0.318 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 140.7 | -177.5 | 26.8 | -34.2 | 0 | 0 | 0 | 111.7 | E305 T309 M310 | E305-P307 WeakPolarHBondContact O-CD 3.42Å; P307-T309 PolarHBondContact O-N 3.3Å; P307-M310 HydrophobicContact CG-CG 4Å; P307-M310 HydrophobicContact CG-SD 3.83Å; P307-M310 PolarHBondContact O-N 2.88Å; P307-M310 VanDerWaalsContact O-N 3.1Å |
| 308 | I | 94.8 | Very high | 93.6 | Very high | 106 Ų | 106 | 110.4 Ų | 110.4 | 54% | 0.544 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -63.8 | -28.6 | -177 | -57 | -58.6 | 0 | 0 | 0 | 111.8 | N273 C274 M310 K311 | N273-I308 WeakPolarHBondContact O-CD1 3.42Å; C274-I308 HydrophobicContact CB-CD1 4.33Å; I308-M310 PolarHBondContact O-N 3.33Å; I308-M310 VanDerWaalsContact O-N 3.09Å; I308-K311 WeakPolarHBondContact O-CB 3.41Å; I308-K311 PolarHBondContact O-N 3.42Å |
| 309 | T | 94.8 | Very high | 92.9 | Very high | 135 Ų | 135 | 115.5 Ų | 115.5 | 83% | 0.828 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -57 | -22.8 | 174 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | P307 | P307-T309 PolarHBondContact O-N 3.3Š|
| 310 | M | 93.1 | Very high | 92.1 | Very high | 97 Ų | 97 | 121 Ų | 121 | 48% | 0.478 | 60% | 0.596 | S | S | . | * | G | 310 helix | trans | -90.1 | -2.7 | 174.5 | -61.9 | -178.3 | 82 | 0 | 0 | 113.4 | Y298 R306 P307 I308 | Y298-M310 HydrophobicContact CE2-CE 4.47Å; Y298-M310 HydrophobicContact CE2-SD 3.89Å; R306-M310 VanDerWaalsContact NH1-C 3.29Å; R306-M310 PolarHBondContact NH1-O 3.11Å; R306-M310 PolarHBondContact NH2-O 3.07Å; P307-M310 HydrophobicContact CG-CG 4Å; P307-M310 HydrophobicContact CG-SD 3.83Å; P307-M310 PolarHBondContact O-N 2.88Å; P307-M310 VanDerWaalsContact O-N 3.1Å; I308-M310 PolarHBondContact O-N 3.33Å; I308-M310 VanDerWaalsContact O-N 3.09Å |
| 311 | K | 93.1 | Very high | 91.4 | Very high | 80 Ų | 80 | 122.9 Ų | 122.9 | 35% | 0.348 | 60% | 0.604 | S | S | . | * | | | trans | -62.4 | 141.9 | 177.8 | 178.9 | 170.4 | 168.2 | -79 | 0 | 109.9 | I308 D313 | I308-K311 WeakPolarHBondContact O-CB 3.41Å; I308-K311 PolarHBondContact O-N 3.42Å; K311-D313 IonicContact NZ-OD1 2.71Å; K311-D313 PolarHBondContact NZ-OD1 3.18Å |
| 312 | K | 92.8 | Very high | 90.3 | Very high | 126 Ų | 126 | 124.6 Ų | 124.6 | 55% | 0.548 | 61% | 0.613 | S | S | . | * | | | trans | -136.7 | 132.6 | 173.3 | -176.4 | 166.1 | -172.6 | 161.3 | 0 | 108.4 | Q316 | K312-Q316 HydrophobicContact CD-CG 4.32Š|
| 313 | D | 86.4 | Confident | 88.5 | Confident | 125 Ų | 125 | 124.7 Ų | 124.7 | 67% | 0.668 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -80.8 | -19.9 | -167.2 | -50.1 | -71.6 | 0 | 0 | 0 | 113.3 | K311 | K311-D313 IonicContact NZ-OD1 2.71Å; K311-D313 PolarHBondContact NZ-OD1 3.18Å |
| 314 | G | 88.8 | Confident | 86.8 | Confident | 46 Ų | 46 | 121.1 Ų | 121.1 | 47% | 0.474 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -101.7 | 131.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q316 | G314-Q316 PolarHBondContact O-N 3.47Š|
| 315 | I | 90.4 | Very high | 85.1 | Confident | 91 Ų | 91 | 126.6 Ų | 126.6 | 47% | 0.467 | 64% | 0.642 | S | S | . | * | | | trans | -68.1 | 110.6 | 168.8 | -61.7 | 177.2 | 0 | 0 | 0 | 109 | T280 | T280-I315 HydrophobicContact CG2-CD1 4.42Å; T280-I315 HydrophobicContact CG2-CG2 3.53Å |
| 316 | Q | 89.8 | Confident | 83.1 | Confident | 146 Ų | 146 | 124 Ų | 124 | 68% | 0.682 | 65% | 0.649 | S | S | * | * | | | trans | -71.9 | 129.4 | 173.7 | -68.2 | 179.9 | -67.7 | 0 | 0 | 111.2 | K312 G314 | K312-Q316 HydrophobicContact CD-CG 4.32Å; G314-Q316 PolarHBondContact O-N 3.47Å |
| 317 | T | 87.9 | Confident | 81.1 | Confident | 140 Ų | 140 | 127.1 Ų | 127.1 | 86% | 0.859 | 68% | 0.677 | S | S | * | * | | | trans | -85.1 | 146.7 | 169.7 | 53.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 318 | R | 85.1 | Confident | 79.1 | Confident | 226 Ų | 226 | 136.1 Ų | 136.1 | 85% | 0.853 | 71% | 0.705 | S | S | * | * | | | trans | -124.1 | 127.4 | 171.4 | 179.9 | 179.2 | 176.9 | -177 | 2.6 | 108.5 | R320 | R318-R320 PolarHBondContact O-N 3Š|
| 319 | N | 83.5 | Confident | 77.3 | Confident | 157 Ų | 157 | 142.1 Ų | 142.1 | 84% | 0.84 | 72% | 0.721 | S | S | * | * | | | trans | -63 | 127.6 | 172.2 | -168.6 | -1.6 | 0 | 0 | 0 | 109.5 | | |
| 320 | R | 81.1 | Confident | 75.5 | Confident | 217 Ų | 217 | 144.7 Ų | 144.7 | 82% | 0.819 | 73% | 0.725 | S | S | * | * | | | trans | -100.9 | 95.8 | -175.8 | -78.1 | -173.3 | -78.4 | -176 | -4.7 | 109.7 | R318 L322 | R318-R320 PolarHBondContact O-N 3Å; R320-L322 PolarHBondContact O-N 2.89Å; R320-L322 VanDerWaalsContact O-N 3.17Å |
| 321 | K | 81.4 | Confident | 73.3 | Confident | 203 Ų | 203 | 148.7 Ų | 148.7 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | | | trans | -52.1 | 121.3 | 165.7 | -172 | 172.2 | -175.1 | 174.4 | 0 | 108.4 | S323 | K321-S323 PolarHBondContact O-N 3.3Å; K321-S323 VanDerWaalsContact O-N 3.13Å |
| 322 | L | 73.4 | Confident | 71.2 | Confident | 168 Ų | 168 | 153.4 Ų | 153.4 | 88% | 0.88 | 76% | 0.76 | S | S | * | * | | | trans | -62.4 | 115.3 | -177.6 | -65.4 | 174.4 | 0 | 0 | 0 | 109.2 | R320 | R320-L322 PolarHBondContact O-N 2.89Å; R320-L322 VanDerWaalsContact O-N 3.17Å |
| 323 | S | 60.3 | Low | 69.2 | Low | 101 Ų | 101 | 154.4 Ų | 154.4 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -79.5 | 123.8 | 178.5 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | K321 K325 | K321-S323 PolarHBondContact O-N 3.3Å; K321-S323 VanDerWaalsContact O-N 3.13Å; S323-K325 PolarHBondContact O-N 3.24Å |
| 324 | A | 61.4 | Low | 66.9 | Low | 83 Ų | 83 | 155.4 Ų | 155.4 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -66.4 | 6.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | G326 S327 | A324-G326 PolarHBondContact O-N 2.95Å; A324-S327 PolarHBondContact O-N 3.28Å |
| 325 | K | 59 | Low | 64.6 | Low | 196 Ų | 196 | 157 Ų | 157 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -63.5 | -10.1 | -173 | -159.8 | 167.2 | -177.4 | 175.6 | 0 | 114.7 | S323 | S323-K325 PolarHBondContact O-N 3.24Š|
| 326 | G | 55.3 | Low | 61.9 | Low | 73 Ų | 73 | 156 Ų | 156 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -81.8 | -18.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A324 R328 | A324-G326 PolarHBondContact O-N 2.95Å; G326-R328 VanDerWaalsContact C-N 3.33Å; G326-R328 PolarHBondContact O-N 2.83Å; G326-R328 VanDerWaalsContact O-N 3.13Å |
| 327 | S | 54.7 | Low | 59.7 | Low | 105 Ų | 105 | 155.7 Ų | 155.7 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | | | trans | -89.5 | 33.5 | -164.4 | -162.4 | 0 | 0 | 0 | 0 | 115.4 | A324 | A324-S327 PolarHBondContact O-N 3.28Š|
| 328 | R | 55.2 | Low | 58.4 | Low | 238 Ų | 238 | 155 Ų | 155 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -127.7 | 33.7 | 177.4 | -66.2 | -152.2 | -64.9 | -179.6 | -0.5 | 114.6 | G326 | G326-R328 VanDerWaalsContact C-N 3.33Å; G326-R328 PolarHBondContact O-N 2.83Å; G326-R328 VanDerWaalsContact O-N 3.13Å |
| 329 | R | 56.5 | Low | 56.2 | Low | 232 Ų | 232 | 151 Ų | 151 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -141 | 71.3 | 164.4 | -80.7 | -167.1 | 172.3 | -171.5 | -2.1 | 111.7 | | |
| 330 | M | 56.4 | Low | 54.3 | Low | 189 Ų | 189 | 148.1 Ų | 148.1 | 93% | 0.931 | 80% | 0.8 | S | S | * | * | | | trans | -165.6 | 90.6 | 144.6 | -86.6 | -38.1 | 171 | 0 | 0 | 110.9 | | |
| 331 | K | 46.5 | Very low | 52.5 | Low | 180 Ų | 180 | 146.6 Ų | 146.6 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | | | trans | -149.9 | 90.4 | 147 | 179.9 | 101.4 | -180 | 155.1 | 0 | 106.9 | E333 | K331-E333 WeakPolarHBondContact CE-OE2 3.24Å; K331-E333 IonicContact NZ-OE2 2.64Å; K331-E333 PolarHBondContact NZ-OE2 3.4Å |
| 332 | K | 49.2 | Very low | 50.1 | Low | 179 Ų | 179 | 140.5 Ų | 140.5 | 78% | 0.778 | 80% | 0.8 | S | S | * | * | | | trans | -129.6 | 114.1 | 158.1 | -179.6 | 179.9 | 178.4 | 180 | 0 | 106.5 | | |
| 333 | E | 50 | Low | 48.6 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | | | trans | -124.7 | 143.4 | 164.7 | -70.6 | 169.5 | 125.9 | 0 | 0 | 105.7 | K331 | K331-E333 WeakPolarHBondContact CE-OE2 3.24Å; K331-E333 IonicContact NZ-OE2 2.64Å; K331-E333 PolarHBondContact NZ-OE2 3.4Å |
| 334 | N | 40 | Very low | 48 | Very low | 145 Ų | 145 | 142 Ų | 142 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | | | trans | -77 | 161 | 176 | -60.6 | -22.5 | 0 | 0 | 0 | 108.9 | | |
| 335 | G | 39.5 | Very low | 47.1 | Very low | 81 Ų | 81 | 142.9 Ų | 142.9 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | | | cis | 157.5 | 166.2 | -0.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 336 | G | 34.3 | Very low | 46 | Very low | 70 Ų | 70 | 139.9 Ų | 139.9 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | | | trans | 176.8 | 111.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 337 | T | 43.4 | Very low | 45.1 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | | | trans | 36 | 138.3 | 154.2 | 50 | 0 | 0 | 0 | 0 | 122.3 | | |
| 338 | P | 60.6 | Low | 44.5 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | | | trans | -89.7 | 146.4 | 173.9 | 36.7 | -33.2 | 0 | 0 | 0 | 113.6 | | |
| 339 | T | 38.4 | Very low | 43.6 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | trans | -140.7 | 151.2 | 160.3 | -48.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 340 | S | 43.4 | Very low | 42.7 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 66% | 0.664 | 80% | 0.804 | S | S | * | * | | | trans | -103.2 | 175.1 | -173.5 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 341 | M | 42.7 | Very low | 41.7 | Very low | 186 Ų | 186 | 130 Ų | 130 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | | | trans | 72.7 | 147 | 169 | -49.7 | -60.4 | -83.6 | 0 | 0 | 116.9 | | |
| 342 | G | 31.6 | Very low | 41.2 | Very low | 75 Ų | 75 | 127.1 Ų | 127.1 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | 126.2 | 69.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 343 | M | 41.9 | Very low | 40.3 | Very low | 170 Ų | 170 | 121.6 Ų | 121.6 | 84% | 0.837 | 79% | 0.792 | S | S | * | * | | | trans | -79.4 | 145.4 | 135.7 | -75.3 | 173.6 | 59.7 | 0 | 0 | 107.3 | T345 | M343-T345 HydrophobicContact CE-CG2 4.43Š|
| 344 | P | 47.1 | Very low | 39.7 | Very low | 129 Ų | 129 | 121.4 Ų | 121.4 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | | | | -136 | -179.9 | 106.2 | 38 | -27.5 | 0 | 0 | 0 | 113.8 | | |
| 345 | T | 43 | Very low | 39.5 | Very low | 103 Ų | 103 | 122 Ų | 122 | 63% | 0.632 | 79% | 0.792 | S | S | * | * | | | trans | -101.1 | 180 | -173.9 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | M343 | M343-T345 HydrophobicContact CE-CG2 4.43Š|
| 346 | T | 37.3 | Very low | 39.3 | Very low | 132 Ų | 132 | 124.1 Ų | 124.1 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | | | trans | 68.7 | 151.4 | 168 | 63.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 347 | S | 34.9 | Very low | 39.2 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | cis | -156.7 | 169.5 | -9.2 | 33.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 348 | S | 42.9 | Very low | 38.9 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -70.5 | 142.9 | -178.8 | -40.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 349 | S | 35.6 | Very low | 37.8 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | | | trans | -146.5 | 126.7 | 159.3 | -82.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 350 | I | 38.7 | Very low | 37.7 | Very low | 163 Ų | 163 | 124.1 Ų | 124.1 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | | | trans | -76.2 | 156.4 | 177.7 | 28.1 | 169.8 | 0 | 0 | 0 | 113.9 | | |
| 351 | S | 35.3 | Very low | 37.7 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | 130.8 | 157.1 | 147.6 | -60.4 | 0 | 0 | 0 | 0 | 114 | | |
| 352 | S | 35 | Very low | 37.4 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | cis | 172.8 | 134.5 | -41.2 | -93.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 353 | G | 31.3 | Very low | 37.6 | Very low | 64 Ų | 64 | 126.7 Ų | 126.7 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | | | trans | 150.5 | 115.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 354 | I | 36.8 | Very low | 37.5 | Very low | 144 Ų | 144 | 127 Ų | 127 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | cis | 73.4 | 116.4 | 33.8 | -48.9 | 168.5 | 0 | 0 | 0 | 110.6 | | |
| 355 | E | 36.1 | Very low | 37.3 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 73% | 0.729 | 76% | 0.764 | S | S | * | * | | | cis | -158.9 | -172.7 | -11.7 | -119.7 | 154.8 | -124.2 | 0 | 0 | 107.7 | | |
| 356 | L | 35.4 | Very low | 37 | Very low | 126 Ų | 126 | 133 Ų | 133 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | | | cis | -120.1 | -115.3 | 15.3 | -161.9 | 72 | 0 | 0 | 0 | 112.3 | | |
| 357 | D | 31.1 | Very low | 37.1 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | | | cis | -148.8 | 178.7 | 4.5 | -155.3 | 87 | 0 | 0 | 0 | 111 | | |
| 358 | Q | 37.1 | Very low | 37.4 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | trans | -135.7 | 157.9 | -141.6 | -168.4 | 62.5 | 12.8 | 0 | 0 | 116.9 | | |
| 359 | S | 39 | Very low | 37.6 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | 87.6 | 125.8 | 169.1 | 78.9 | 0 | 0 | 0 | 0 | 118 | | |
| 360 | G | 36.7 | Very low | 37.6 | Very low | 65 Ų | 65 | 137.5 Ų | 137.5 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | | | cis | 173 | 156 | -14.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 361 | V | 43.1 | Very low | 37.6 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | | | trans | 70.1 | 133.2 | 169 | -171.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 362 | W | 36.3 | Very low | 37.6 | Very low | 232 Ų | 232 | 140.7 Ų | 140.7 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | | | cis | -146.4 | 178.5 | -4 | -114.4 | 155.5 | 0 | 0 | 0 | 108.2 | | |
| 363 | G | 34.3 | Very low | 37.9 | Very low | 48 Ų | 48 | 140.2 Ų | 140.2 | 50% | 0.495 | 77% | 0.766 | S | S | . | * | | | cis | 154.6 | 101 | -3.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 364 | M | 40.3 | Very low | 38.3 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | | | trans | 70.5 | 142.9 | 164.2 | -57.4 | 155.5 | 78 | 0 | 0 | 116.9 | | |
| 365 | K | 42.6 | Very low | 38.3 | Very low | 204 Ų | 204 | 141.3 Ų | 141.3 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | | | cis | -130.5 | 164.1 | 25.9 | -62.9 | 176.7 | 179.6 | 179 | 0 | 114.5 | | |
| 366 | N | 37.7 | Very low | 38.5 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -70.1 | 145.9 | 178.6 | -83.9 | -30 | 0 | 0 | 0 | 115.2 | | |
| 367 | T | 38.8 | Very low | 38.5 | Very low | 143 Ų | 143 | 142 Ų | 142 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | | | | -163.6 | 162.2 | 107.2 | 26.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 368 | Q | 41.6 | Very low | 38.8 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | trans | -97.2 | 163.5 | -171.5 | -59.5 | -153.4 | -6.5 | 0 | 0 | 114.2 | | |
| 369 | P | 46.2 | Very low | 38.6 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | trans | -118.8 | 136.2 | 138.4 | 35.1 | -27.5 | 0 | 0 | 0 | 112.3 | | |
| 370 | M | 36.7 | Very low | 39 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | | | trans | -72.5 | 150.3 | 175.2 | -72.4 | -74 | -174.5 | 0 | 0 | 112.3 | | |
| 371 | L | 37.7 | Very low | 38.7 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | -86.1 | 132.8 | 164.9 | -74.2 | 165.2 | 0 | 0 | 0 | 110.4 | | |
| 372 | M | 35.6 | Very low | 38.5 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | | | trans | -135.4 | 147.2 | 166.4 | -84.9 | -82.5 | 89.5 | 0 | 0 | 110.4 | | |
| 373 | T | 41.3 | Very low | 38.5 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | | | trans | -83.7 | 153.6 | -170.8 | 45.2 | 0 | 0 | 0 | 0 | 113.5 | T375 | T373-T375 PolarHBondContact O-N 2.81Š|
| 374 | P | 39.3 | Very low | 38.3 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | | | trans | -79.3 | 98.3 | 174.3 | 32.3 | -33.3 | 0 | 0 | 0 | 111.4 | | |
| 375 | T | 37.2 | Very low | 37.8 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 59% | 0.589 | 79% | 0.79 | S | S | * | * | | | trans | -94.3 | 119.6 | 167.6 | -51.8 | 0 | 0 | 0 | 0 | 109.6 | T373 Y377 | T373-T375 PolarHBondContact O-N 2.81Å; T375-Y377 HydrophobicContact CG2-CD2 4.07Å; T375-Y377 HydrophobicContact CG2-CE2 3.53Å |
| 376 | A | 40 | Very low | 37.2 | Very low | 97 Ų | 97 | 144.2 Ų | 144.2 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | trans | -79.3 | 133.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 377 | Y | 35.9 | Very low | 36.8 | Very low | 200 Ų | 200 | 144.4 Ų | 144.4 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | trans | -125.5 | 140.4 | 166.9 | -80.4 | -82.1 | 0 | 0 | 0 | 109.7 | T375 | T375-Y377 HydrophobicContact CG2-CD2 4.07Å; T375-Y377 HydrophobicContact CG2-CE2 3.53Å |
| 378 | A | 38.5 | Very low | 36.8 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | trans | -131.1 | 144.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 379 | F | 32.5 | Very low | 36.4 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | -154 | 155.8 | 172.3 | -73.7 | -71.6 | 0 | 0 | 0 | 108.8 | | |
| 380 | P | 46.6 | Very low | 36.2 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | | -127.3 | 176 | -50.4 | 34.7 | -20 | 0 | 0 | 0 | 111 | | |
| 381 | A | 30.9 | Very low | 36 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | | | trans | -121 | 152.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 382 | S | 37.6 | Very low | 35.8 | Very low | 107 Ų | 107 | 142 Ų | 142 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | -142.3 | 108.7 | 173.4 | 57.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 383 | N | 36.3 | Very low | 35.9 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | 33.6 | 138.8 | 148.8 | -50.2 | -17.7 | 0 | 0 | 0 | 118.8 | | |
| 384 | F | 31.4 | Very low | 35.7 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 77% | 0.772 | 77% | 0.77 | S | S | * | * | | | | -159.4 | 149 | 56.4 | -98.4 | -94.6 | 0 | 0 | 0 | 113.4 | | |
| 385 | Y | 30.4 | Very low | 35.8 | Very low | 201 Ų | 201 | 146.3 Ų | 146.3 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | | | trans | 41.1 | 125.1 | 149.5 | -88.6 | -113 | 0 | 0 | 0 | 121.6 | | |
| 386 | F | 29.5 | Very low | 35.9 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -90.5 | 144.8 | 156.9 | -125 | -96.8 | 0 | 0 | 0 | 109.9 | | |
| 387 | N | 29.5 | Very low | 36 | Very low | 156 Ų | 156 | 151.5 Ų | 151.5 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | | | trans | -133.2 | 145.8 | 158.6 | -108.9 | -33.4 | 0 | 0 | 0 | 107.7 | | |
| 388 | S | 38.8 | Very low | 36.1 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | trans | -120 | 125.4 | -167.9 | -179 | 0 | 0 | 0 | 0 | 111.5 | | |
| 389 | I | 33.3 | Very low | 36.7 | Very low | 153 Ų | 153 | 149 Ų | 149 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | -144 | 154.8 | 160.5 | -64.3 | -170.8 | 0 | 0 | 0 | 107.4 | | |
| 390 | E | 40.7 | Very low | 37.6 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | | | trans | -58.3 | 179.2 | 170.4 | -56.8 | 103.3 | 133.2 | 0 | 0 | 112.5 | | |
| 391 | D | 32.9 | Very low | 37.2 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 68% | 0.684 | 78% | 0.778 | S | S | * | * | | | cis | -169.6 | 171.3 | 31.4 | -159.4 | 8.6 | 0 | 0 | 0 | 113.8 | | |
| 392 | Q | 33.5 | Very low | 37.8 | Very low | 157 Ų | 157 | 152.5 Ų | 152.5 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | trans | 55.8 | 135.9 | 164.9 | -58.8 | -48.1 | -43.1 | 0 | 0 | 122.4 | | |
| 393 | L | 37.8 | Very low | 38.2 | Very low | 156 Ų | 156 | 153.1 Ų | 153.1 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | | | trans | -104.4 | 108.3 | 169.6 | -81 | 158 | 0 | 0 | 0 | 110.7 | Y395 | L393-Y395 WeakPolarHBondContact O-CD1 3.27Š|
| 394 | E | 36.5 | Very low | 38.2 | Very low | 148 Ų | 148 | 154 Ų | 154 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | | | trans | -90.6 | 115.3 | 168.7 | -164.1 | -170.3 | -142.2 | 0 | 0 | 111.7 | K396 | E394-K396 PolarHBondContact O-N 3.01Å; E394-K396 VanDerWaalsContact OE2-CE 3.27Å; E394-K396 WeakPolarHBondContact OE2-CE 3.4Å; E394-K396 IonicContact OE2-NZ 3.42Å; E394-K396 PolarHBondContact OE2-NZ 3.3Å |
| 395 | Y | 42.1 | Very low | 38.6 | Very low | 200 Ų | 200 | 154.5 Ų | 154.5 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | | | trans | -88.2 | 87.3 | -175.1 | 34.1 | -88.7 | 0 | 0 | 0 | 111.9 | L393 T397 | L393-Y395 WeakPolarHBondContact O-CD1 3.27Å; Y395-T397 PolarHBondContact O-N 2.64Å |
| 396 | K | 38.5 | Very low | 38.8 | Very low | 171 Ų | 171 | 148.6 Ų | 148.6 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | trans | -75.2 | 93.3 | 176 | -82.5 | 172.9 | 165.9 | 129.8 | 0 | 112.6 | E394 | E394-K396 PolarHBondContact O-N 3.01Å; E394-K396 VanDerWaalsContact OE2-CE 3.27Å; E394-K396 WeakPolarHBondContact OE2-CE 3.4Å; E394-K396 IonicContact OE2-NZ 3.42Å; E394-K396 PolarHBondContact OE2-NZ 3.3Å |
| 397 | T | 42.1 | Very low | 39.1 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 143.7 | 168.8 | 31.3 | 0 | 0 | 0 | 0 | 112.1 | Y395 | Y395-T397 PolarHBondContact O-N 2.64Š|
| 398 | C | 38.5 | Very low | 39.7 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 135.2 | 171.5 | -65.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 399 | P | 51.7 | Low | 39.9 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 138.7 | 176.9 | 29.4 | -34.1 | 0 | 0 | 0 | 111.4 | | |
| 400 | P | 50.8 | Low | 40.6 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 144.7 | 171.6 | 31.6 | -33.9 | 0 | 0 | 0 | 110.8 | M402 | P400-M402 PolarHBondContact O-N 3.33Š|
| 401 | M | 39.4 | Very low | 40.7 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 116.1 | 172.7 | -58.4 | -160.4 | -49.9 | 0 | 0 | 110.1 | | |
| 402 | M | 42.1 | Very low | 41.3 | Very low | 183 Ų | 183 | 152.4 Ų | 152.4 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 136.4 | 169.8 | -68.1 | 176.2 | 65.1 | 0 | 0 | 110 | P400 | P400-M402 PolarHBondContact O-N 3.33Š|
| 403 | V | 46.3 | Very low | 41.8 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | | | trans | -92.3 | 112.6 | 173 | 177.7 | 0 | 0 | 0 | 0 | 107.8 | F405 | V403-F405 HydrophobicContact CG1-CD2 4.09Å; V403-F405 HydrophobicContact CG1-CE2 4.03Å |
| 404 | D | 36.7 | Very low | 41.9 | Very low | 155 Ų | 155 | 150.9 Ų | 150.9 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | | | trans | -82.4 | 119.6 | -177 | -161.4 | -8.1 | 0 | 0 | 0 | 111.2 | | |
| 405 | F | 40.1 | Very low | 42.2 | Very low | 185 Ų | 185 | 154.7 Ų | 154.7 | 81% | 0.811 | 83% | 0.833 | S | S | * | * | | | trans | -106.1 | 80.6 | 179.7 | -101.3 | -85.5 | 0 | 0 | 0 | 109.5 | V403 G407 | V403-F405 HydrophobicContact CG1-CD2 4.09Å; V403-F405 HydrophobicContact CG1-CE2 4.03Å; F405-G407 PolarHBondContact O-N 3.47Å |
| 406 | G | 34.6 | Very low | 42.2 | Very low | 78 Ų | 78 | 152.5 Ų | 152.5 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | | | trans | -68 | 67.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q408 | G406-Q408 PolarHBondContact O-N 2.78Š|
| 407 | G | 35.4 | Very low | 42.4 | Very low | 68 Ų | 68 | 151.5 Ų | 151.5 | 70% | 0.701 | 84% | 0.84 | S | S | * | * | | | trans | -87.1 | 97.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F405 M409 | F405-G407 PolarHBondContact O-N 3.47Å; G407-M409 PolarHBondContact O-N 3.45Å |
| 408 | Q | 42.8 | Very low | 42.4 | Very low | 192 Ų | 192 | 152.7 Ų | 152.7 | 90% | 0.897 | 84% | 0.843 | S | S | * | * | | | trans | -71 | 114.2 | 170.6 | -75.8 | -171.3 | -18.5 | 0 | 0 | 111.1 | G406 K410 | G406-Q408 PolarHBondContact O-N 2.78Å; Q408-K410 PolarHBondContact O-N 3.27Å |
| 409 | M | 41.2 | Very low | 42.6 | Very low | 187 Ų | 187 | 154.6 Ų | 154.6 | 92% | 0.921 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 126.9 | 169.5 | -67.4 | -167.2 | -71.4 | 0 | 0 | 110.2 | G407 | G407-M409 PolarHBondContact O-N 3.45Š|
| 410 | K | 49 | Very low | 42.1 | Very low | 197 Ų | 197 | 156.8 Ų | 156.8 | 86% | 0.857 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -82 | 126 | 168.8 | -72.3 | -174.8 | 176.9 | -178.6 | 0 | 109.5 | Q408 L412 | Q408-K410 PolarHBondContact O-N 3.27Å; K410-L412 PolarHBondContact O-N 3.31Å |
| 411 | N | 41.8 | Very low | 41.5 | Very low | 162 Ų | 162 | 159.5 Ų | 159.5 | 87% | 0.866 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 123 | 158.9 | -96.9 | -65.1 | 0 | 0 | 0 | 109.1 | | |
| 412 | L | 46 | Very low | 41.6 | Very low | 171 Ų | 171 | 157.7 Ų | 157.7 | 90% | 0.895 | 85% | 0.852 | S | S | * | * | | | trans | -131.9 | 150.1 | 151.4 | -88.6 | 176 | 0 | 0 | 0 | 108.2 | K410 | K410-L412 PolarHBondContact O-N 3.31Š|
| 413 | N | 45.4 | Very low | 41.6 | Very low | 146 Ų | 146 | 155.8 Ų | 155.8 | 78% | 0.781 | 85% | 0.848 | S | S | * | * | | | trans | -117.5 | 176.4 | -158.8 | -159.4 | -6.3 | 0 | 0 | 0 | 110.3 | | |
| 414 | L | 40 | Very low | 41.2 | Very low | 135 Ų | 135 | 158.7 Ų | 158.7 | 71% | 0.707 | 86% | 0.857 | S | S | * | * | | | trans | 83.9 | 118.7 | 166.2 | -60 | 146.7 | 0 | 0 | 0 | 118.2 | | |
| 415 | N | 41.6 | Very low | 41.6 | Very low | 228 Ų | 228 | 159 Ų | 159 | 100% | 1.219 | 86% | 0.86 | S | S | * | * | | | trans | 58.9 | 0 | 140.7 | -54.5 | -7.1 | 0 | 0 | 0 | 119.1 | | |