| 1 | M | 56.3 | Low | 51.2 | Low | 235 Ų | 235 | 150.3 Ų | 150.3 | 100% | 1.158 | 80% | 0.802 | S | S | * | * | | | | 0 | 99.4 | 0 | -66.4 | 152.5 | 75.9 | 0 | 0 | 105.4 | | |
| 2 | Q | 43.8 | Very low | 51.7 | Low | 176 Ų | 176 | 155 Ų | 155 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | | | | 68.3 | 138 | 79.4 | -77.4 | -159.9 | 15.9 | 0 | 0 | 114.1 | | |
| 3 | Q | 48.6 | Very low | 51.2 | Low | 174 Ų | 174 | 155.6 Ų | 155.6 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | | | trans | 81 | 122.8 | 173.8 | -51.3 | 179.4 | 21.2 | 0 | 0 | 115.3 | | |
| 4 | S | 49.1 | Very low | 51.3 | Low | 97 Ų | 97 | 152 Ų | 152 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | | | cis | 119.6 | 147.8 | 1.9 | 72.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 5 | K | 55.3 | Low | 50.9 | Low | 208 Ų | 208 | 152.9 Ų | 152.9 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | | | trans | 72.7 | 148.4 | 173 | -74.3 | 166.2 | 172.4 | 170.9 | 0 | 115.4 | | |
| 6 | A | 54.8 | Low | 50.8 | Low | 85 Ų | 85 | 149.7 Ų | 149.7 | 70% | 0.702 | 80% | 0.803 | S | S | * | * | | | cis | -150.2 | 151.6 | -3.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 7 | R | 48.5 | Very low | 50.9 | Low | 228 Ų | 228 | 148.9 Ų | 148.9 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | | 49.4 | 133.3 | 82.5 | -116.9 | -157.9 | 175.9 | -179.2 | -1.6 | 112.9 | | |
| 8 | T | 58.5 | Low | 50.9 | Low | 112 Ų | 112 | 147.6 Ų | 147.6 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | | | cis | -165.4 | 170.5 | 10.8 | -13.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 9 | P | 51.7 | Low | 50.6 | Low | 116 Ų | 116 | 149.9 Ų | 149.9 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | -102.7 | 165.2 | -169.3 | 39.5 | -32.4 | 0 | 0 | 0 | 115.8 | | |
| 10 | I | 51.2 | Low | 50.7 | Low | 164 Ų | 164 | 145.9 Ų | 145.9 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | | | trans | -147.6 | 132.7 | 166.9 | -56.6 | 175.7 | 0 | 0 | 0 | 105.5 | | |
| 11 | G | 44.8 | Very low | 50.7 | Low | 58 Ų | 58 | 147.1 Ų | 147.1 | 60% | 0.598 | 80% | 0.799 | S | S | * | * | | | cis | 118.4 | 98.9 | 4.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 12 | K | 57.5 | Low | 50.5 | Low | 207 Ų | 207 | 141.1 Ų | 141.1 | 90% | 0.9 | 78% | 0.778 | S | S | * | * | | | trans | 174.4 | 118.1 | 148.6 | -95.6 | 150.2 | -168 | -178.4 | 0 | 111.8 | | |
| 13 | D | 46.1 | Very low | 51.1 | Low | 163 Ų | 163 | 140.4 Ų | 140.4 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | | | trans | -96.6 | 175.4 | 170.1 | -108.2 | -25.9 | 0 | 0 | 0 | 110.4 | | |
| 14 | P | 52.1 | Low | 51.4 | Low | 105 Ų | 105 | 140.8 Ų | 140.8 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | | | trans | -93.3 | 174.3 | -155.6 | 38 | -39.2 | 0 | 0 | 0 | 114.9 | | |
| 15 | L | 44.8 | Very low | 51.5 | Low | 165 Ų | 165 | 143.7 Ų | 143.7 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | trans | -179.6 | 170.1 | 140.9 | -103.2 | 165.9 | 0 | 0 | 0 | 114.4 | | |
| 16 | S | 49.1 | Very low | 51.9 | Low | 102 Ų | 102 | 139.5 Ų | 139.5 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | trans | 79.8 | 111.7 | 169.1 | 68.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 17 | V | 52.3 | Low | 51.9 | Low | 136 Ų | 136 | 141 Ų | 141 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | | 81.1 | 123.3 | 70.9 | 165.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 18 | V | 52.4 | Low | 52.1 | Low | 126 Ų | 126 | 136.3 Ų | 136.3 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | | | | -155.5 | 128.8 | 55.8 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 19 | K | 44.9 | Very low | 51.8 | Low | 191 Ų | 191 | 135.6 Ų | 135.6 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | | | | 51.9 | 129.8 | 91.9 | -156.2 | -177 | 178 | -169 | 0 | 118.9 | | |
| 20 | G | 51.4 | Low | 51.5 | Low | 70 Ų | 70 | 141.2 Ų | 141.2 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | | | trans | 141.7 | 87.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 21 | E | 51.8 | Low | 51.1 | Low | 171 Ų | 171 | 137.7 Ų | 137.7 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | | 95.1 | 134.3 | 63.4 | -161.9 | 157.8 | 122.9 | 0 | 0 | 111.7 | | |
| 22 | P | 52.2 | Low | 51.3 | Low | 110 Ų | 110 | 145.7 Ų | 145.7 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | | | trans | -125.4 | 145.2 | -158.1 | 39.9 | -23.8 | 0 | 0 | 0 | 117.1 | | |
| 23 | D | 55.5 | Low | 50.9 | Low | 161 Ų | 161 | 143.9 Ų | 143.9 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | | | trans | -144 | 154 | 166.5 | -65.3 | -58.9 | 0 | 0 | 0 | 107.4 | | |
| 24 | E | 56 | Low | 51.1 | Low | 182 Ų | 182 | 141.7 Ų | 141.7 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | cis | -155.1 | 163 | -0.6 | -145.3 | -179.4 | 134.8 | 0 | 0 | 108.4 | | |
| 25 | L | 51.3 | Low | 50.9 | Low | 158 Ų | 158 | 142.2 Ų | 142.2 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | | | trans | -121.5 | 141.8 | 177.9 | -109.2 | 172.1 | 0 | 0 | 0 | 110.9 | | |
| 26 | P | 62.9 | Low | 50.6 | Low | 120 Ų | 120 | 143.7 Ų | 143.7 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | trans | -112.3 | 136 | 161.9 | 34 | -25.4 | 0 | 0 | 0 | 114 | | |
| 27 | S | 55.7 | Low | 50.8 | Low | 115 Ų | 115 | 145.4 Ų | 145.4 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -82.3 | 161.9 | -177.1 | -68.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 28 | P | 51.4 | Low | 50.4 | Low | 131 Ų | 131 | 142.3 Ų | 142.3 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | -85.5 | 150.3 | -179.1 | 34.5 | -35.6 | 0 | 0 | 0 | 113.8 | | |
| 29 | A | 52.5 | Low | 50.2 | Low | 96 Ų | 96 | 145.3 Ų | 145.3 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | | | trans | -129.3 | 112.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 30 | R | 46.6 | Very low | 50.5 | Low | 234 Ų | 234 | 139.8 Ų | 139.8 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | 51.3 | 118.5 | 134.9 | -85.3 | -178.5 | 166.6 | 168 | -4.3 | 122.8 | | |
| 31 | S | 42.3 | Very low | 50.1 | Low | 90 Ų | 90 | 143.6 Ų | 143.6 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | | | | 61.4 | 129.4 | 128.8 | 65.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 32 | Y | 49.7 | Very low | 50.1 | Low | 227 Ų | 227 | 143.7 Ų | 143.7 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | | | | -171.4 | 139.1 | 113.5 | -98.2 | -71.5 | 0 | 0 | 0 | 110.4 | | |
| 33 | L | 47.3 | Very low | 50 | Low | 169 Ų | 169 | 146 Ų | 146 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | | | trans | -122.3 | 150.4 | 170.2 | -82.5 | 174.1 | 0 | 0 | 0 | 109 | | |
| 34 | P | 50.2 | Low | 49.3 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | trans | -125.3 | 120.1 | 160 | 23.8 | -4.3 | 0 | 0 | 0 | 114.5 | | |
| 35 | S | 48.6 | Very low | 49 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | 31.4 | 133.2 | 142.3 | 58.6 | 0 | 0 | 0 | 0 | 123.5 | | |
| 36 | Y | 38 | Very low | 48.7 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | -85.9 | 148.3 | 170.3 | -175.2 | -85.8 | 0 | 0 | 0 | 113.2 | S38 | Y36-S38 WeakPolarHBondContact CE1-OG 3.37Å; Y36-S38 PolarHBondContact OH-OG 3.24Å; Y36-S38 VanDerWaalsContact OH-OG 3.1Å |
| 37 | V | 55 | Low | 47.9 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | | | trans | -144.1 | 143.5 | 164.5 | -175.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 38 | S | 42.7 | Very low | 47.3 | Very low | 72 Ų | 72 | 142.3 Ų | 142.3 | 50% | 0.503 | 81% | 0.805 | S | S | . | * | | | trans | -135.6 | 170.9 | -176.7 | -94 | 0 | 0 | 0 | 0 | 109.9 | Y36 | Y36-S38 WeakPolarHBondContact CE1-OG 3.37Å; Y36-S38 PolarHBondContact OH-OG 3.24Å; Y36-S38 VanDerWaalsContact OH-OG 3.1Å |
| 39 | M | 49.3 | Very low | 47.4 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | | | cis | -138.5 | -177.2 | 14.9 | -53.7 | 168.5 | -174.3 | 0 | 0 | 110.5 | | |
| 40 | G | 49.6 | Very low | 47 | Very low | 76 Ų | 76 | 143 Ų | 143 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | trans | 159.6 | 99.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 41 | D | 43.5 | Very low | 47.1 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | -83.9 | 158.1 | 171.9 | -52.2 | -82.4 | 0 | 0 | 0 | 112.4 | | |
| 42 | D | 53 | Low | 47.3 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | | | | 177.6 | 168.9 | 128.8 | -95 | -30.4 | 0 | 0 | 0 | 113.6 | | |
| 43 | L | 49.2 | Very low | 47.2 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | trans | -125.6 | 158.8 | -147.7 | -158.2 | 80.2 | 0 | 0 | 0 | 114.9 | | |
| 44 | S | 40.1 | Very low | 46.9 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | | | trans | 77.2 | 158.7 | 163.3 | -34.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 45 | T | 51 | Low | 46.6 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | | | cis | -153.2 | 173.8 | 21.6 | -35.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 46 | E | 43.6 | Very low | 46.6 | Very low | 197 Ų | 197 | 143.5 Ų | 143.5 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | -85.7 | 173 | -168.3 | -49.3 | -171.5 | 131.6 | 0 | 0 | 116.8 | | |
| 47 | G | 45.8 | Very low | 47 | Very low | 78 Ų | 78 | 142.3 Ų | 142.3 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | 146 | 136.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 48 | D | 43.8 | Very low | 47.1 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | cis | 174 | 173.1 | -21.9 | -179.9 | 18.3 | 0 | 0 | 0 | 104.2 | | |
| 49 | V | 54.1 | Low | 47.5 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 65% | 0.648 | 81% | 0.805 | S | S | * | * | | | trans | 85.2 | 92.4 | 164.4 | -164 | 0 | 0 | 0 | 0 | 119.2 | | |
| 50 | N | 43.1 | Very low | 47.9 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | | | | 31.5 | 132.3 | 122.8 | -49.4 | -58.3 | 0 | 0 | 0 | 121.3 | | |
| 51 | E | 49.2 | Very low | 48 | Very low | 198 Ų | 198 | 144.6 Ų | 144.6 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | | | | -173.6 | 175.5 | 95.6 | -96.4 | -166.8 | 146.4 | 0 | 0 | 112.6 | | |
| 52 | S | 46.7 | Very low | 48.9 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | -112.1 | -157.5 | -154.8 | -162.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 53 | P | 47.5 | Very low | 48.6 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | | | | -114.3 | 164.8 | -97.8 | 38.2 | -25 | 0 | 0 | 0 | 114 | | |
| 54 | F | 41.7 | Very low | 49 | Very low | 209 Ų | 209 | 138.1 Ų | 138.1 | 92% | 0.917 | 75% | 0.753 | S | S | * | * | | | trans | -143.3 | 127.9 | 158.7 | -116.4 | -85.7 | 0 | 0 | 0 | 112 | | |
| 55 | E | 42.2 | Very low | 49.7 | Very low | 183 Ų | 183 | 139.7 Ų | 139.7 | 86% | 0.855 | 75% | 0.753 | S | S | * | * | | | trans | -79.9 | 134.6 | 178.1 | -59.6 | 170.5 | 152 | 0 | 0 | 110.5 | | |
| 56 | I | 50.4 | Low | 49.6 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | | | trans | -143 | 97.6 | 152.7 | -36.3 | 173.5 | 0 | 0 | 0 | 108.1 | E58 | I56-E58 PolarHBondContact O-N 2.98Š|
| 57 | E | 45.4 | Very low | 49.8 | Very low | 172 Ų | 172 | 134.3 Ų | 134.3 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | | | trans | -87.1 | 89.3 | 178.3 | -169.5 | -175 | 174.1 | 0 | 0 | 109.5 | T59 | E57-T59 PolarHBondContact O-N 3.22Š|
| 58 | E | 56.4 | Low | 50.2 | Low | 166 Ų | 166 | 137.2 Ų | 137.2 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | | | trans | -87.3 | 81.5 | 169.8 | -82.6 | -161.6 | 144.5 | 0 | 0 | 111 | I56 L60 | I56-E58 PolarHBondContact O-N 2.98Å; E58-L60 VanDerWaalsContact C-N 3.32Å; E58-L60 PolarHBondContact O-N 3.15Å |
| 59 | T | 51 | Low | 50.7 | Low | 112 Ų | 112 | 138.2 Ų | 138.2 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | | | trans | -68.5 | 84.5 | 172.1 | -52.6 | 0 | 0 | 0 | 0 | 110.5 | E57 D61 | E57-T59 PolarHBondContact O-N 3.22Å; T59-D61 PolarHBondContact O-N 3.01Å |
| 60 | L | 58.1 | Low | 50.2 | Low | 150 Ų | 150 | 143.1 Ų | 143.1 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | | | trans | -71.5 | 109.1 | 176.5 | -90.9 | 156.2 | 0 | 0 | 0 | 111.4 | E58 | E58-L60 VanDerWaalsContact C-N 3.32Å; E58-L60 PolarHBondContact O-N 3.15Å |
| 61 | D | 52.8 | Low | 50.6 | Low | 93 Ų | 93 | 139.7 Ų | 139.7 | 50% | 0.497 | 73% | 0.733 | S | S | . | * | | | trans | -58.1 | 124.1 | -178.8 | 179 | -4.3 | 0 | 0 | 0 | 112.7 | T59 Y63 A64 | T59-D61 PolarHBondContact O-N 3.01Å; D61-Y63 PolarHBondContact O-N 2.85Å; D61-Y63 WeakPolarHBondContact OD1-CB 3.45Å; D61-Y63 VanDerWaalsContact OD1-CD2 3.3Å; D61-Y63 WeakPolarHBondContact OD1-CD2 3.18Å; D61-Y63 PolarHBondContact OD1-N 2.82Å; D61-A64 WeakPolarHBondContact O-CB 3.42Å; D61-A64 PolarHBondContact O-N 2.75Å; D61-A64 VanDerWaalsContact O-N 3.16Å |
| 62 | P | 61 | Low | 50.6 | Low | 104 Ų | 104 | 135.6 Ų | 135.6 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -60.7 | -14.7 | 178.6 | 25.7 | -35.5 | 0 | 0 | 0 | 114.8 | | |
| 63 | Y | 47.2 | Very low | 50.6 | Low | 174 Ų | 174 | 136.1 Ų | 136.1 | 68% | 0.682 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -83.5 | -7.2 | 177.5 | -66.9 | -73.5 | 0 | 0 | 0 | 114.9 | D61 I65 V66 | D61-Y63 PolarHBondContact O-N 2.85Å; D61-Y63 WeakPolarHBondContact OD1-CB 3.45Å; D61-Y63 VanDerWaalsContact OD1-CD2 3.3Å; D61-Y63 WeakPolarHBondContact OD1-CD2 3.18Å; D61-Y63 PolarHBondContact OD1-N 2.82Å; Y63-I65 PolarHBondContact O-N 3.45Å; Y63-I65 VanDerWaalsContact O-N 3.14Å; Y63-V66 PolarHBondContact O-N 3.18Å |
| 64 | A | 57.2 | Low | 50.7 | Low | 65 Ų | 65 | 137.5 Ų | 137.5 | 54% | 0.537 | 73% | 0.731 | S | S | . | * | G | 310 helix | trans | -62.8 | -21.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D61 | D61-A64 WeakPolarHBondContact O-CB 3.42Å; D61-A64 PolarHBondContact O-N 2.75Å; D61-A64 VanDerWaalsContact O-N 3.16Å |
| 65 | I | 56.2 | Low | 50.6 | Low | 131 Ų | 131 | 136.1 Ų | 136.1 | 67% | 0.672 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -80.5 | -17.4 | -173.2 | -61.8 | 172.9 | 0 | 0 | 0 | 112.7 | Y63 N67 | Y63-I65 PolarHBondContact O-N 3.45Å; Y63-I65 VanDerWaalsContact O-N 3.14Å; I65-N67 VanDerWaalsContact C-N 3.31Å; I65-N67 PolarHBondContact O-N 2.98Å |
| 66 | V | 48.2 | Very low | 50.7 | Low | 113 Ų | 113 | 131.6 Ų | 131.6 | 69% | 0.685 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -82.9 | -0.5 | -168.6 | -154.3 | 0 | 0 | 0 | 0 | 114.1 | Y63 | Y63-V66 PolarHBondContact O-N 3.18Š|
| 67 | N | 47.7 | Very low | 50.2 | Low | 108 Ų | 108 | 130.2 Ų | 130.2 | 58% | 0.578 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -106.2 | 4 | -171.5 | -77.4 | -43.9 | 0 | 0 | 0 | 116 | I65 D69 | I65-N67 VanDerWaalsContact C-N 3.31Å; I65-N67 PolarHBondContact O-N 2.98Å; N67-D69 PolarHBondContact O-N 2.89Å |
| 68 | I | 54.8 | Low | 49.9 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 72% | 0.718 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -22.6 | -166 | -59.7 | 175.8 | 0 | 0 | 0 | 113.9 | | |
| 69 | D | 53.6 | Low | 49.6 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 90% | 0.904 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 2.9 | -173.6 | -96.6 | -24.3 | 0 | 0 | 0 | 116 | N67 G71 | N67-D69 PolarHBondContact O-N 2.89Å; D69-G71 PolarHBondContact O-N 3.21Å |
| 70 | R | 44.5 | Very low | 48.9 | Very low | 211 Ų | 211 | 132.7 Ų | 132.7 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | | | trans | -89.6 | 85.9 | 173.5 | -73.2 | -172.5 | 178.6 | 126.1 | -1.9 | 110.9 | | |
| 71 | G | 51.4 | Low | 48.1 | Very low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | | | trans | -52 | 150.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | D69 | D69-G71 PolarHBondContact O-N 3.21Š|
| 72 | P | 48.6 | Very low | 47.5 | Very low | 113 Ų | 113 | 133 Ų | 133 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | | | trans | -66.1 | 141.2 | -166 | 26.1 | -35.2 | 0 | 0 | 0 | 112.5 | V74 | P72-V74 PolarHBondContact O-N 2.94Š|
| 73 | P | 46.6 | Very low | 46.8 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | | | trans | -71.3 | 99.1 | 177.2 | 29.2 | -33.8 | 0 | 0 | 0 | 110.3 | Q75 | P73-Q75 PolarHBondContact O-N 3.28Š|
| 74 | V | 48.9 | Very low | 46.6 | Very low | 133 Ų | 133 | 136 Ų | 136 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | | | trans | -68.2 | 104.2 | 172.1 | 179.6 | 0 | 0 | 0 | 0 | 109 | P72 | P72-V74 PolarHBondContact O-N 2.94Š|
| 75 | Q | 39.9 | Very low | 45.8 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | | | trans | -65.9 | 131.4 | 172.8 | -58 | 176.4 | 21.2 | 0 | 0 | 109.4 | P73 | P73-Q75 PolarHBondContact O-N 3.28Š|
| 76 | S | 44 | Very low | 45.2 | Very low | 87 Ų | 87 | 139 Ų | 139 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | | | trans | -122.1 | 127 | 168.3 | 66.8 | 0 | 0 | 0 | 0 | 110 | F78 | S76-F78 PolarHBondContact O-N 2.86Š|
| 77 | P | 40 | Very low | 45.2 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | -92.1 | 96.2 | -176.6 | 33.9 | -31.7 | 0 | 0 | 0 | 110.7 | | |
| 78 | F | 40.8 | Very low | 45.2 | Very low | 185 Ų | 185 | 140 Ų | 140 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | | | trans | -107.7 | 110.4 | 169.2 | -79.9 | -78.7 | 0 | 0 | 0 | 111.2 | S76 | S76-F78 PolarHBondContact O-N 2.86Š|
| 79 | K | 48.8 | Very low | 44.6 | Very low | 199 Ų | 199 | 140.5 Ų | 140.5 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 138.9 | 171.9 | -76.6 | 179.1 | 172.7 | 179.3 | 0 | 110.5 | | |
| 80 | P | 36.4 | Very low | 44.4 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 118.9 | 164.3 | 32.3 | -29.1 | 0 | 0 | 0 | 109.9 | | |
| 81 | T | 41.5 | Very low | 44.6 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 120.8 | 163.1 | -61.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 82 | V | 40.4 | Very low | 44.2 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -92 | 121.2 | 172.7 | 175.6 | 0 | 0 | 0 | 0 | 108.1 | M84 | V82-M84 HydrophobicContact CG1-CG 4.41Š|
| 83 | E | 46.8 | Very low | 44.2 | Very low | 184 Ų | 184 | 136.4 Ų | 136.4 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | -129.8 | 127.3 | 151.1 | -73.9 | -158.7 | 152.9 | 0 | 0 | 109.4 | | |
| 84 | M | 41.8 | Very low | 44.4 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | | | trans | -96.9 | 126.6 | 173 | -68.2 | 168.6 | 56.2 | 0 | 0 | 108.3 | V82 | V82-M84 HydrophobicContact CG1-CG 4.41Š|
| 85 | T | 41.6 | Very low | 44.5 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | -133 | 130.7 | 151.5 | 30.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 86 | V | 43.4 | Very low | 44.8 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | | | trans | -94.6 | 140.5 | 179.5 | 174.8 | 0 | 0 | 0 | 0 | 107 | | |
| 87 | D | 48.6 | Very low | 45.2 | Very low | 167 Ų | 167 | 136 Ų | 136 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | | | trans | -167.8 | 152.3 | 132.2 | -95.4 | -29.9 | 0 | 0 | 0 | 112.1 | | |
| 88 | A | 46.2 | Very low | 45.5 | Very low | 74 Ų | 74 | 135.2 Ų | 135.2 | 61% | 0.612 | 78% | 0.783 | S | S | * | * | | | trans | -107.6 | 156.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 89 | N | 43.5 | Very low | 45.6 | Very low | 152 Ų | 152 | 132 Ų | 132 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | | 167.4 | 161.8 | 116.6 | -87.4 | -41.5 | 0 | 0 | 0 | 114.3 | | |
| 90 | S | 49.5 | Very low | 45.5 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | 58.2 | 99.7 | 162.9 | 46.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 91 | S | 47.7 | Very low | 46 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | | 83.3 | 114.6 | 71.5 | -169.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 92 | P | 43.2 | Very low | 45.8 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -95.4 | 164.3 | -177.6 | 38.1 | -35 | 0 | 0 | 0 | 113.7 | | |
| 93 | S | 49.6 | Very low | 46.3 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -144.7 | 135.3 | 163.2 | -169.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 94 | P | 50.3 | Low | 45.9 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 69% | 0.688 | 80% | 0.801 | S | S | * | * | | | trans | -115.7 | 179.6 | -167.8 | 44.1 | -36.5 | 0 | 0 | 0 | 115.6 | | |
| 95 | E | 50.9 | Low | 46 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | 78.6 | 159.1 | 154.2 | -77 | -161 | -138 | 0 | 0 | 120.5 | | |
| 96 | P | 46.4 | Very low | 46.2 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 60% | 0.604 | 80% | 0.797 | S | S | * | * | | | cis | -143.1 | -164.3 | -30.1 | 36.9 | -16.7 | 0 | 0 | 0 | 115.8 | | |
| 97 | V | 51 | Low | 46.2 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | | | trans | 81.5 | 147.9 | 152.1 | -66.4 | 0 | 0 | 0 | 0 | 124.7 | | |
| 98 | S | 47 | Very low | 46.3 | Very low | 113 Ų | 113 | 140 Ų | 140 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | 89.9 | 94.9 | 166.2 | -153.6 | 0 | 0 | 0 | 0 | 116.5 | | |
| 99 | S | 42.1 | Very low | 46.2 | Very low | 117 Ų | 117 | 145 Ų | 145 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | | 71.7 | 99.9 | 59.2 | -163.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 100 | A | 47.7 | Very low | 45.8 | Very low | 105 Ų | 105 | 148.7 Ų | 148.7 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | | | trans | -166.3 | 146.5 | 151.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 101 | E | 47.4 | Very low | 45.3 | Very low | 185 Ų | 185 | 149.4 Ų | 149.4 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -102 | 148.7 | -164 | -170.9 | -178.3 | 170.9 | 0 | 0 | 113.4 | | |
| 102 | P | 37.8 | Very low | 45.5 | Very low | 122 Ų | 122 | 150.2 Ų | 150.2 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 122.1 | -172 | 33.2 | -34.2 | 0 | 0 | 0 | 114.2 | | |
| 103 | K | 50.3 | Low | 45.2 | Very low | 210 Ų | 210 | 153.3 Ų | 153.3 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 128.3 | 171.3 | -74.8 | -177.7 | 177.2 | 175.7 | 0 | 112.3 | | |
| 104 | R | 37.5 | Very low | 45 | Very low | 246 Ų | 246 | 153.2 Ų | 153.2 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 128 | 172.8 | -69.5 | -179.2 | 171 | 105.3 | -5.8 | 111.8 | | |
| 105 | K | 44.7 | Very low | 44.5 | Very low | 215 Ų | 215 | 155 Ų | 155 | 94% | 0.935 | 82% | 0.815 | S | S | * | * | | | trans | -174.3 | 144.5 | 152.8 | -101.2 | 179.7 | 178.8 | -171.9 | 0 | 105.2 | | |
| 106 | G | 45.3 | Very low | 44.4 | Very low | 63 Ų | 63 | 154.3 Ų | 154.3 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | | | cis | 155 | 118.3 | 0.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 107 | E | 44.3 | Very low | 44.5 | Very low | 186 Ų | 186 | 154.7 Ų | 154.7 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | | | trans | 68.4 | 155.1 | 164.6 | -56.5 | 178.9 | 125.5 | 0 | 0 | 119.6 | | |
| 108 | L | 49.2 | Very low | 44 | Very low | 171 Ų | 171 | 153 Ų | 153 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | | | trans | 59.3 | 129.3 | 179.1 | -65.8 | 120.7 | 0 | 0 | 0 | 115.4 | | |
| 109 | E | 44.6 | Very low | 44.2 | Very low | 179 Ų | 179 | 156.1 Ų | 156.1 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | | | cis | -157.3 | 138.7 | 46.4 | -173.2 | 168.7 | -171.2 | 0 | 0 | 110.5 | | |
| 110 | Y | 35.6 | Very low | 44.3 | Very low | 229 Ų | 229 | 161.4 Ų | 161.4 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | | | trans | -98.9 | 108.5 | 169.7 | -81.8 | -102.5 | 0 | 0 | 0 | 108.4 | | |
| 111 | D | 38.5 | Very low | 44.2 | Very low | 126 Ų | 126 | 165.6 Ų | 165.6 | 67% | 0.674 | 83% | 0.828 | S | S | * | * | | | trans | -176.8 | 116.4 | 142.5 | -105.8 | -29.8 | 0 | 0 | 0 | 111.6 | | |
| 112 | T | 51.6 | Low | 44.6 | Very low | 130 Ų | 130 | 165.5 Ų | 165.5 | 80% | 0.798 | 82% | 0.824 | S | S | * | * | | | trans | -152.6 | 86.5 | 154.5 | -37.8 | 0 | 0 | 0 | 0 | 110.4 | V114 | T112-V114 HydrophobicContact CG2-CG2 3.71Å; T112-V114 PolarHBondContact O-N 3.01Å |
| 113 | F | 36.8 | Very low | 44.8 | Very low | 193 Ų | 193 | 168.3 Ų | 168.3 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | | | trans | -62.1 | 115.5 | 162.2 | -79.6 | -106.6 | 0 | 0 | 0 | 109.5 | | |
| 114 | V | 46.6 | Very low | 44.9 | Very low | 114 Ų | 114 | 167.2 Ų | 167.2 | 69% | 0.691 | 83% | 0.827 | S | S | * | * | | | trans | -125.8 | 83.8 | 167.7 | -168.8 | 0 | 0 | 0 | 0 | 110.5 | T112 I116 | T112-V114 HydrophobicContact CG2-CG2 3.71Å; T112-V114 PolarHBondContact O-N 3.01Å; V114-I116 PolarHBondContact O-N 3.09Å |
| 115 | N | 40 | Very low | 45.1 | Very low | 145 Ų | 145 | 165 Ų | 165 | 78% | 0.775 | 83% | 0.825 | S | S | * | * | | | trans | 16.3 | 103.1 | 137.8 | -166.4 | 15.7 | 0 | 0 | 0 | 116.9 | | |
| 116 | I | 48.9 | Very low | 45.3 | Very low | 159 Ų | 159 | 159.8 Ų | 159.8 | 82% | 0.815 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 117.2 | 168 | -59.3 | 175.1 | 0 | 0 | 0 | 108.3 | V114 | V114-I116 PolarHBondContact O-N 3.09Š|
| 117 | P | 47.2 | Very low | 45.6 | Very low | 101 Ų | 101 | 162.5 Ų | 162.5 | 66% | 0.656 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 139.6 | -179.6 | 29.4 | -33.9 | 0 | 0 | 0 | 111.9 | M119 | P117-M119 PolarHBondContact O-N 2.88Š|
| 118 | A | 40.5 | Very low | 46 | Very low | 103 Ų | 103 | 159.8 Ų | 159.8 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 119.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 119 | M | 50.7 | Low | 46.2 | Very low | 179 Ų | 179 | 157.2 Ų | 157.2 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -87 | 119.9 | 167.5 | -72 | -67.5 | -80.8 | 0 | 0 | 110 | P117 M121 | P117-M119 PolarHBondContact O-N 2.88Å; M119-M121 PolarHBondContact O-N 3.4Å |
| 120 | R | 45.1 | Very low | 46.5 | Very low | 229 Ų | 229 | 154.9 Ų | 154.9 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 123.8 | 177.6 | -81 | 178.8 | 161 | 93.8 | -5.7 | 111 | K122 | R120-K122 PolarHBondContact O-N 3.4Š|
| 121 | M | 45.8 | Very low | 47.3 | Very low | 192 Ų | 192 | 149.5 Ų | 149.5 | 95% | 0.946 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68 | 116.1 | 158.2 | -72.6 | -176.4 | 166.6 | 0 | 0 | 109 | M119 | M119-M121 PolarHBondContact O-N 3.4Š|
| 122 | K | 56.1 | Low | 48.1 | Very low | 183 Ų | 183 | 152.8 Ų | 152.8 | 80% | 0.796 | 81% | 0.81 | S | S | * | * | | | trans | -96 | 100.5 | 164.2 | -78.8 | -173.5 | 176.1 | -177.6 | 0 | 108.6 | R120 M124 | R120-K122 PolarHBondContact O-N 3.4Å; K122-M124 PolarHBondContact O-N 3.33Å |
| 123 | E | 42.3 | Very low | 47.5 | Very low | 181 Ų | 181 | 152.6 Ų | 152.6 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | | | trans | -6.2 | 103.3 | 150.7 | -168.9 | 169.3 | -154.4 | 0 | 0 | 115.2 | | |
| 124 | M | 51 | Low | 47.8 | Very low | 188 Ų | 188 | 151.5 Ų | 151.5 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | | | trans | -120.8 | 89.9 | 162.4 | -75.9 | -170.6 | 174 | 0 | 0 | 108.5 | K122 S126 | K122-M124 PolarHBondContact O-N 3.33Å; M124-S126 PolarHBondContact O-N 2.98Å |
| 125 | K | 42.9 | Very low | 47.3 | Very low | 200 Ų | 200 | 151.3 Ų | 151.3 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | | | trans | -79.5 | 110.6 | 174 | -170.4 | 85.7 | 171.2 | -170 | 0 | 108.4 | | |
| 126 | S | 48.1 | Very low | 47.5 | Very low | 105 Ų | 105 | 151.2 Ų | 151.2 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | | | trans | -137.8 | 136.6 | 166.4 | -169.4 | 0 | 0 | 0 | 0 | 109.7 | M124 | M124-S126 PolarHBondContact O-N 2.98Š|
| 127 | P | 52.2 | Low | 46.9 | Very low | 120 Ų | 120 | 152.4 Ų | 152.4 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 126 | -174.2 | 8.7 | 9.6 | 0 | 0 | 0 | 111.5 | | |
| 128 | V | 53.4 | Low | 46.4 | Very low | 128 Ų | 128 | 152.1 Ų | 152.1 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 129.6 | 168.8 | -180 | 0 | 0 | 0 | 0 | 109 | | |
| 129 | P | 52.9 | Low | 46.1 | Very low | 117 Ų | 117 | 152.2 Ų | 152.2 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74 | 129.6 | 175.9 | 29.9 | -33.1 | 0 | 0 | 0 | 111 | | |
| 130 | V | 49.9 | Very low | 45.8 | Very low | 130 Ų | 130 | 149.5 Ų | 149.5 | 79% | 0.788 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 121.3 | 179.7 | 178.9 | 0 | 0 | 0 | 0 | 110 | | |
| 131 | P | 52 | Low | 45.9 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73 | 137.3 | 166.8 | 29.9 | -31.6 | 0 | 0 | 0 | 110.2 | | |
| 132 | K | 55.9 | Low | 45.2 | Very low | 194 Ų | 194 | 150 Ų | 150 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 147.2 | -174.9 | -66.2 | 170.4 | -178.3 | 171.2 | 0 | 111.4 | | |
| 133 | P | 39.7 | Very low | 44.6 | Very low | 126 Ų | 126 | 149.5 Ų | 149.5 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 130.8 | 171.9 | 31.6 | -32.9 | 0 | 0 | 0 | 110.3 | | |
| 134 | L | 43.4 | Very low | 44.5 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | | | trans | -100.9 | 114.4 | 162.3 | -80.8 | 171.3 | 0 | 0 | 0 | 108.7 | | |
| 135 | S | 36.4 | Very low | 43.8 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | | | trans | -77.5 | 136.2 | 168.8 | 56.4 | 0 | 0 | 0 | 0 | 110 | | |
| 136 | V | 43.8 | Very low | 44.1 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 87% | 0.873 | 81% | 0.807 | S | S | * | * | | | trans | -136.9 | 132.2 | 156.4 | -146 | 0 | 0 | 0 | 0 | 109.8 | | |
| 137 | H | 36.2 | Very low | 44.1 | Very low | 184 Ų | 184 | 138.2 Ų | 138.2 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | | | trans | -79.2 | 161.5 | -179.1 | -105.6 | -113.7 | 0 | 0 | 0 | 112.2 | | |
| 138 | A | 35.3 | Very low | 43.9 | Very low | 94 Ų | 94 | 142 Ų | 142 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | | | trans | -45.4 | 148.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 139 | S | 34.2 | Very low | 43.6 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | | | | 168 | 117.3 | 105.6 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 140 | S | 44.5 | Very low | 43.1 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -151.2 | 153.6 | 145.3 | -159.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 141 | K | 47.3 | Very low | 43.2 | Very low | 189 Ų | 189 | 140.3 Ų | 140.3 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | | | trans | -92 | 140.3 | -154.9 | -65.7 | 158.1 | -177.3 | 169.6 | 0 | 111.5 | | |
| 142 | R | 32.4 | Very low | 43 | Very low | 241 Ų | 241 | 139.4 Ų | 139.4 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | | | trans | -67.5 | 144.7 | 165.1 | -58.3 | -178.3 | -176.8 | -159.9 | 0.2 | 109.9 | | |
| 143 | L | 43.7 | Very low | 42.3 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | | | trans | 164.8 | 137.3 | 153.2 | -90.5 | 169.1 | 0 | 0 | 0 | 105.7 | | |
| 144 | A | 38.6 | Very low | 42.5 | Very low | 91 Ų | 91 | 143.2 Ų | 143.2 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | | | cis | -167.1 | 145.3 | -25.4 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 145 | G | 37.6 | Very low | 42.6 | Very low | 80 Ų | 80 | 138.2 Ų | 138.2 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | 93.8 | 159.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 146 | S | 47.7 | Very low | 43.1 | Very low | 102 Ų | 102 | 141.7 Ų | 141.7 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | | | trans | 65.2 | 113.8 | 175.1 | -85.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 147 | E | 49.4 | Very low | 43.3 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | | 53.1 | 109.2 | 129.1 | -66.5 | 154.5 | 128 | 0 | 0 | 118.1 | | |
| 148 | M | 47.2 | Very low | 43.9 | Very low | 199 Ų | 199 | 139 Ų | 139 | 98% | 0.98 | 78% | 0.784 | S | S | * | * | | | | 50.3 | 88.3 | 70.1 | -60.8 | -177.9 | 173.6 | 0 | 0 | 112.1 | | |
| 149 | G | 48.3 | Very low | 44.2 | Very low | 60 Ų | 60 | 142.8 Ų | 142.8 | 62% | 0.619 | 79% | 0.785 | S | S | * | * | | | trans | -152.1 | 109.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | T151 | G149-T151 PolarHBondContact O-N 2.82Å; G149-T151 VanDerWaalsContact O-N 3.12Å |
| 150 | D | 41.9 | Very low | 44.6 | Very low | 162 Ų | 162 | 144 Ų | 144 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | | | trans | -57 | 110.7 | -176.7 | -57.6 | -60.4 | 0 | 0 | 0 | 111.9 | | |
| 151 | T | 52.4 | Low | 45 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | | | trans | -110.6 | 67.3 | 168.8 | 38.7 | 0 | 0 | 0 | 0 | 109.5 | G149 F153 | G149-T151 PolarHBondContact O-N 2.82Å; G149-T151 VanDerWaalsContact O-N 3.12Å; T151-F153 PolarHBondContact O-N 3.47Å |
| 152 | V | 46.5 | Very low | 45 | Very low | 97 Ų | 97 | 141 Ų | 141 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | | | trans | -67.3 | 97.7 | 164.7 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | Y154 | V152-Y154 VanDerWaalsContact C-N 3.35Å; V152-Y154 HydrophobicContact CB-CD2 4.36Å; V152-Y154 HydrophobicContact CB-CE2 4.05Å; V152-Y154 HydrophobicContact CG1-CD2 3.89Å; V152-Y154 HydrophobicContact CG1-CE2 3.64Å; V152-Y154 HydrophobicContact CG1-CG 4.47Å; V152-Y154 WeakPolarHBondContact O-CD2 3.34Å; V152-Y154 PolarHBondContact O-N 3.37Å |
| 153 | F | 41.2 | Very low | 45.8 | Very low | 193 Ų | 193 | 135.7 Ų | 135.7 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | | | trans | -67.8 | 96.2 | 167 | -84.6 | -92.9 | 0 | 0 | 0 | 108.7 | T151 G155 | T151-F153 PolarHBondContact O-N 3.47Å; F153-G155 PolarHBondContact O-N 3.41Å |
| 154 | Y | 45.6 | Very low | 46 | Very low | 207 Ų | 207 | 133.3 Ų | 133.3 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | | | trans | -65.7 | 97 | 165.3 | -75.4 | -90.3 | 0 | 0 | 0 | 108.5 | V152 E156 | V152-Y154 VanDerWaalsContact C-N 3.35Å; V152-Y154 HydrophobicContact CB-CD2 4.36Å; V152-Y154 HydrophobicContact CB-CE2 4.05Å; V152-Y154 HydrophobicContact CG1-CD2 3.89Å; V152-Y154 HydrophobicContact CG1-CE2 3.64Å; V152-Y154 HydrophobicContact CG1-CG 4.47Å; V152-Y154 WeakPolarHBondContact O-CD2 3.34Å; V152-Y154 PolarHBondContact O-N 3.37Å; Y154-E156 PolarHBondContact O-N 2.96Å |
| 155 | G | 44.8 | Very low | 46.2 | Very low | 65 Ų | 65 | 135.7 Ų | 135.7 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | | | trans | -62.9 | 116.9 | 166 | 0 | 0 | 0 | 0 | 0 | 108.9 | F153 V157 | F153-G155 PolarHBondContact O-N 3.41Å; G155-V157 PolarHBondContact O-N 2.81Å; G155-V157 VanDerWaalsContact O-N 3.13Å |
| 156 | E | 45.9 | Very low | 46.2 | Very low | 184 Ų | 184 | 137.8 Ų | 137.8 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | | | trans | -60.4 | 113.7 | -173.9 | -168.8 | 163.1 | 172.2 | 0 | 0 | 110.8 | Y154 E158 | Y154-E156 PolarHBondContact O-N 2.96Å; E156-E158 PolarHBondContact O-N 3.26Å; E156-E158 VanDerWaalsContact O-N 3.13Å |
| 157 | V | 49.3 | Very low | 45.7 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | | | trans | -76.7 | 100.4 | 174.7 | 179.5 | 0 | 0 | 0 | 0 | 107.3 | G155 H159 | G155-V157 PolarHBondContact O-N 2.81Å; G155-V157 VanDerWaalsContact O-N 3.13Å; V157-H159 PolarHBondContact O-CD2 3.1Å; V157-H159 PolarHBondContact O-N 3.21Å |
| 158 | E | 48.9 | Very low | 45.1 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | trans | -57.6 | 100.8 | 171.2 | -75.7 | -163.7 | 149.5 | 0 | 0 | 109.8 | E156 L160 | E156-E158 PolarHBondContact O-N 3.26Å; E156-E158 VanDerWaalsContact O-N 3.13Å; E158-L160 PolarHBondContact O-N 3.42Å |
| 159 | H | 40.1 | Very low | 45.3 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | | | trans | -69.9 | 73.8 | 170.7 | -84.7 | -83.5 | 0 | 0 | 0 | 110.1 | V157 P161 | V157-H159 PolarHBondContact O-CD2 3.1Å; V157-H159 PolarHBondContact O-N 3.21Å; H159-P161 WeakPolarHBondContact O-CD 3.15Å |
| 160 | L | 43.7 | Very low | 45 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | | | trans | -67.6 | 120.1 | 167.2 | -70 | 178.9 | 0 | 0 | 0 | 109.1 | E158 V162 | E158-L160 PolarHBondContact O-N 3.42Å; L160-V162 PolarHBondContact O-N 2.98Å; L160-V162 VanDerWaalsContact O-N 3.08Å |
| 161 | P | 52.1 | Low | 45.6 | Very low | 108 Ų | 108 | 141 Ų | 141 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | trans | -73.6 | 106.3 | -176.3 | 29.2 | -33.6 | 0 | 0 | 0 | 110 | H159 E163 | H159-P161 WeakPolarHBondContact O-CD 3.15Å; P161-E163 PolarHBondContact O-N 2.96Å |
| 162 | V | 48.4 | Very low | 45.6 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | | | trans | -75.5 | 79.4 | 166.6 | -174.8 | 0 | 0 | 0 | 0 | 108.2 | L160 P164 | L160-V162 PolarHBondContact O-N 2.98Å; L160-V162 VanDerWaalsContact O-N 3.08Å; V162-P164 WeakPolarHBondContact O-CD 3.34Å |
| 163 | E | 47.6 | Very low | 45.9 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 61% | 0.607 | 77% | 0.767 | S | S | * | * | | | trans | -63.6 | 125.8 | 175.9 | -73.8 | -157.3 | 99.4 | 0 | 0 | 111.2 | P161 H165 | P161-E163 PolarHBondContact O-N 2.96Å; E163-H165 PolarHBondContact O-N 2.91Å; E163-H165 IonicContact OE1-CE1 3.81Å; E163-H165 IonicContact OE1-NE2 3.11Å; E163-H165 PolarHBondContact OE1-NE2 3.43Å; E163-H165 VanDerWaalsContact OE1-NE2 3.11Å; E163-H165 IonicContact OE2-CD2 3.31Å; E163-H165 PolarHBondContact OE2-CD2 3.29Å; E163-H165 VanDerWaalsContact OE2-CD2 3.31Å; E163-H165 IonicContact OE2-NE2 2.78Å; E163-H165 PolarHBondContact OE2-NE2 2.95Å |
| 164 | P | 49.6 | Very low | 46.8 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | trans | -81.2 | 65.7 | 175.9 | 34.4 | -35.2 | 0 | 0 | 0 | 111.2 | V162 C166 | V162-P164 WeakPolarHBondContact O-CD 3.34Å; P164-C166 PolarHBondContact O-N 2.95Å |
| 165 | H | 42.7 | Very low | 47.3 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | | | trans | -73.7 | 72 | 175 | -81.5 | -60.8 | 0 | 0 | 0 | 112.5 | E163 | E163-H165 PolarHBondContact O-N 2.91Å; E163-H165 IonicContact OE1-CE1 3.81Å; E163-H165 IonicContact OE1-NE2 3.11Å; E163-H165 PolarHBondContact OE1-NE2 3.43Å; E163-H165 VanDerWaalsContact OE1-NE2 3.11Å; E163-H165 IonicContact OE2-CD2 3.31Å; E163-H165 PolarHBondContact OE2-CD2 3.29Å; E163-H165 VanDerWaalsContact OE2-CD2 3.31Å; E163-H165 IonicContact OE2-NE2 2.78Å; E163-H165 PolarHBondContact OE2-NE2 2.95Å |
| 166 | C | 36.5 | Very low | 48.1 | Very low | 124 Ų | 124 | 154.9 Ų | 154.9 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | trans | -141.7 | 48.8 | 168.4 | -86.2 | 0 | 0 | 0 | 0 | 111.6 | P164 | P164-C166 PolarHBondContact O-N 2.95Š|
| 167 | C | 37 | Very low | 48.7 | Very low | 131 Ų | 131 | 150 Ų | 150 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | | | trans | -140.9 | 126.9 | 166.2 | -97.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 168 | G | 37.9 | Very low | 49.1 | Very low | 74 Ų | 74 | 154.1 Ų | 154.1 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | | | trans | 82.7 | 145.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 169 | V | 50.5 | Low | 49.6 | Very low | 127 Ų | 127 | 155.5 Ų | 155.5 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | cis | -132.3 | 130.7 | 19.8 | 179.4 | 0 | 0 | 0 | 0 | 111.9 | R171 | V169-R171 HydrophobicContact CG1-CG 4.4Å; V169-R171 PolarHBondContact O-N 2.76Å; V169-R171 VanDerWaalsContact O-N 3.09Å |
| 170 | F | 41.6 | Very low | 50.6 | Low | 190 Ų | 190 | 152.6 Ų | 152.6 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | | | trans | -66.5 | 98.2 | 173.5 | -170.9 | -96.6 | 0 | 0 | 0 | 111.4 | | |
| 171 | R | 56.4 | Low | 51.1 | Low | 231 Ų | 231 | 149.6 Ų | 149.6 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | | | trans | -114.2 | 122.6 | 168.8 | -78.5 | -165.3 | -179.9 | -170.9 | 3.4 | 112.1 | V169 G173 | V169-R171 HydrophobicContact CG1-CG 4.4Å; V169-R171 PolarHBondContact O-N 2.76Å; V169-R171 VanDerWaalsContact O-N 3.09Å; R171-G173 PolarHBondContact O-N 3.2Å |
| 172 | R | 51.6 | Low | 51.5 | Low | 244 Ų | 244 | 150.1 Ų | 150.1 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | trans | -63.1 | 113 | 178.2 | -60 | 172.6 | -171.5 | 144.9 | 2.8 | 110.1 | | |
| 173 | G | 52.6 | Low | 52.1 | Low | 49 Ų | 49 | 150.2 Ų | 150.2 | 51% | 0.505 | 78% | 0.784 | S | S | . | * | S | Bend | trans | -176 | 79.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R171 F175 | R171-G173 PolarHBondContact O-N 3.2Å; G173-F175 WeakPolarHBondContact O-CD2 3.4Å; G173-F175 PolarHBondContact O-N 2.86Å |
| 174 | R | 60.8 | Low | 52.8 | Low | 254 Ų | 254 | 150.1 Ų | 150.1 | 96% | 0.958 | 79% | 0.787 | S | S | * | * | | | trans | 43.5 | 40.2 | 159.5 | -50.7 | -174.3 | -149.6 | 161.6 | 7.1 | 118.4 | R176 | R174-R176 PolarHBondContact O-N 3.25Å; R174-R176 VanDerWaalsContact O-N 3.15Å |
| 175 | F | 54.7 | Low | 53.5 | Low | 190 Ų | 190 | 149.9 Ų | 149.9 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | | | trans | -82.2 | 88.4 | 167.2 | -88.9 | -90.3 | 0 | 0 | 0 | 111 | G173 | G173-F175 WeakPolarHBondContact O-CD2 3.4Å; G173-F175 PolarHBondContact O-N 2.86Å |
| 176 | R | 62 | Low | 54.9 | Low | 237 Ų | 237 | 148 Ų | 148 | 89% | 0.894 | 78% | 0.775 | S | S | * | * | | | trans | -141.4 | 58.8 | -177.5 | -171.2 | 168.2 | 161.2 | 173.3 | -7.2 | 111.6 | R174 | R174-R176 PolarHBondContact O-N 3.25Å; R174-R176 VanDerWaalsContact O-N 3.15Å |
| 177 | S | 59.1 | Low | 56.8 | Low | 82 Ų | 82 | 145.8 Ų | 145.8 | 57% | 0.573 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -167.9 | -27 | 168.8 | 54.4 | 0 | 0 | 0 | 0 | 115.5 | L179 | S177-L179 PolarHBondContact O-N 2.86Š|
| 178 | Y | 58.3 | Low | 59 | Low | 198 Ų | 198 | 142.6 Ų | 142.6 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 13.5 | -167.3 | -71.6 | -76.5 | 0 | 0 | 0 | 117.4 | C180 | Y178-C180 VanDerWaalsContact C-N 3.34Š|
| 179 | L | 58.6 | Low | 61.2 | Low | 187 Ų | 187 | 144.2 Ų | 144.2 | 98% | 0.979 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 5.1 | 172.8 | -77.5 | 164.9 | 0 | 0 | 0 | 113.7 | S177 | S177-L179 PolarHBondContact O-N 2.86Š|
| 180 | C | 60.9 | Low | 63.1 | Low | 113 Ų | 113 | 139.5 Ų | 139.5 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -104.1 | -2.8 | -169.5 | -161.3 | 0 | 0 | 0 | 0 | 115.1 | Y178 | Y178-C180 VanDerWaalsContact C-N 3.34Š|
| 181 | G | 54.3 | Low | 65.5 | Low | 68 Ų | 68 | 136.7 Ų | 136.7 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -103 | -15.2 | -161.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 182 | C | 60.1 | Low | 67.2 | Low | 120 Ų | 120 | 132.9 Ų | 132.9 | 81% | 0.811 | 68% | 0.677 | S | S | * | * | | | trans | -106.2 | 23.8 | -165.4 | -62 | 0 | 0 | 0 | 0 | 114.9 | L184 | C182-L184 PolarHBondContact O-N 3.46Š|
| 183 | I | 61 | Low | 69.2 | Low | 142 Ų | 142 | 127.3 Ų | 127.3 | 73% | 0.728 | 66% | 0.659 | S | S | * | * | | | trans | -71.4 | 81.9 | 163.2 | -52.2 | 179.5 | 0 | 0 | 0 | 107.2 | H185 | I183-H185 PolarHBondContact O-N 2.78Š|
| 184 | L | 62.4 | Low | 71.1 | Confident | 128 Ų | 128 | 130.9 Ų | 130.9 | 67% | 0.67 | 67% | 0.666 | S | S | * | * | | | trans | -51.6 | 105.7 | 161.6 | -73.8 | 170.5 | 0 | 0 | 0 | 106.2 | C182 | C182-L184 PolarHBondContact O-N 3.46Š|
| 185 | H | 65.2 | Low | 72.7 | Confident | 117 Ų | 117 | 124.3 Ų | 124.3 | 54% | 0.542 | 65% | 0.645 | S | S | . | * | | | trans | -47.5 | 128.7 | -172.9 | -131.9 | -102.1 | 0 | 0 | 0 | 108.3 | I183 S187 V188 L189 | I183-H185 PolarHBondContact O-N 2.78Å; H185-S187 PolarHBondContact ND1-OG 3.28Å; H185-S187 PolarHBondContact O-N 2.83Å; H185-V188 HydrophobicContact CB-CB 4.32Å; H185-V188 HydrophobicContact CB-CG2 3.87Å; H185-V188 WeakPolarHBondContact O-CA 3.47Å; H185-V188 WeakPolarHBondContact O-CB 3.44Å; H185-V188 PolarHBondContact O-N 2.75Å; H185-L189 PolarHBondContact O-N 3.01Å |
| 186 | P | 71.2 | Confident | 74.6 | Confident | 101 Ų | 101 | 122 Ų | 122 | 66% | 0.656 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -57.2 | -25.1 | -179.7 | 19.8 | -30.9 | 0 | 0 | 0 | 111.5 | G190 | P186-G190 PolarHBondContact O-N 3.12Å |
| 187 | S | 76.2 | Confident | 76.2 | Confident | 78 Ų | 78 | 112.9 Ų | 112.9 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -58.1 | -42.2 | 168 | -35.2 | 0 | 0 | 0 | 0 | 114.2 | H185 Y191 | H185-S187 PolarHBondContact ND1-OG 3.28Å; H185-S187 PolarHBondContact O-N 2.83Å; S187-Y191 WeakPolarHBondContact O-CB 3.29Å; S187-Y191 PolarHBondContact O-N 3.4Å |
| 188 | V | 83.5 | Confident | 77.9 | Confident | 65 Ų | 65 | 116.7 Ų | 116.7 | 39% | 0.394 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -73.7 | -47.3 | 179.9 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | H185 G190 Y191 Y192 | H185-V188 HydrophobicContact CB-CB 4.32Å; H185-V188 HydrophobicContact CB-CG2 3.87Å; H185-V188 WeakPolarHBondContact O-CA 3.47Å; H185-V188 WeakPolarHBondContact O-CB 3.44Å; H185-V188 PolarHBondContact O-N 2.75Å; V188-G190 VanDerWaalsContact C-N 3.32Å; V188-G190 PolarHBondContact O-N 3.14Å; V188-Y191 PolarHBondContact O-N 3.49Å; V188-Y192 HydrophobicContact CG1-CD2 3.79Å; V188-Y192 HydrophobicContact CG1-CE2 3.46Å; V188-Y192 VanDerWaalsContact CG1-CE2 3.46Å; V188-Y192 WeakPolarHBondContact O-CD2 3.38Å; V188-Y192 PolarHBondContact O-N 3.31Å |
| 189 | L | 84.7 | Confident | 79.6 | Confident | 108 Ų | 108 | 112 Ų | 112 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.1 | -40.9 | 177 | -149.3 | 74.7 | 0 | 0 | 0 | 111.2 | H185 Y192 F193 | H185-L189 PolarHBondContact O-N 3.01Å; L189-Y192 PolarHBondContact O-N 2.87Å; L189-F193 WeakPolarHBondContact O-CB 3.39Å; L189-F193 PolarHBondContact O-N 3.41Å |
| 190 | G | 90.3 | Very high | 81.2 | Confident | 28 Ų | 28 | 105.7 Ų | 105.7 | 29% | 0.289 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.2 | -41.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P186 V188 F193 L194 | P186-G190 PolarHBondContact O-N 3.12Å; V188-G190 VanDerWaalsContact C-N 3.32Å; V188-G190 PolarHBondContact O-N 3.14Å; G190-F193 PolarHBondContact O-N 2.78Å; G190-L194 WeakPolarHBondContact O-CD1 3.35Å; G190-L194 PolarHBondContact O-N 2.78Å |
| 191 | Y | 92.7 | Very high | 82.6 | Confident | 131 Ų | 131 | 107.7 Ų | 107.7 | 51% | 0.514 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.9 | -46.6 | 174.8 | 174 | -101.6 | 0 | 0 | 0 | 112.1 | S187 V188 L194 K195 | S187-Y191 WeakPolarHBondContact O-CB 3.29Å; S187-Y191 PolarHBondContact O-N 3.4Å; V188-Y191 PolarHBondContact O-N 3.49Å; Y191-L194 PolarHBondContact O-N 2.93Å; Y191-K195 HydrophobicContact CE1-CG 4.2Å; Y191-K195 HydrophobicContact CE2-CG 4.24Å; Y191-K195 VanDerWaalsContact CZ-CE 3.46Å; Y191-K195 WeakPolarHBondContact O-CB 3.45Å; Y191-K195 WeakPolarHBondContact O-CG 3.38Å; Y191-K195 PolarHBondContact O-N 2.78Å; Y191-K195 WeakPolarHBondContact OH-CE 3.34Å |
| 192 | Y | 91.9 | Very high | 84.4 | Confident | 150 Ų | 150 | 107.5 Ų | 107.5 | 59% | 0.588 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.3 | -40.1 | 174.7 | -73.1 | -63.2 | 0 | 0 | 0 | 111.9 | V188 L189 K195 W196 | V188-Y192 HydrophobicContact CG1-CD2 3.79Å; V188-Y192 HydrophobicContact CG1-CE2 3.46Å; V188-Y192 VanDerWaalsContact CG1-CE2 3.46Å; V188-Y192 WeakPolarHBondContact O-CD2 3.38Å; V188-Y192 PolarHBondContact O-N 3.31Å; L189-Y192 PolarHBondContact O-N 2.87Å; Y192-K195 PolarHBondContact O-N 3.31Å; Y192-W196 VanDerWaalsContact O-CB 3.29Å; Y192-W196 WeakPolarHBondContact O-CB 3.11Å; Y192-W196 PolarHBondContact O-N 2.74Å |
| 193 | F | 92.1 | Very high | 85.8 | Confident | 127 Ų | 127 | 106.6 Ų | 106.6 | 56% | 0.557 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.6 | -45.9 | 175.4 | -174.7 | -100.5 | 0 | 0 | 0 | 112.4 | L189 G190 K195 W196 V197 | L189-F193 WeakPolarHBondContact O-CB 3.39Å; L189-F193 PolarHBondContact O-N 3.41Å; G190-F193 PolarHBondContact O-N 2.78Å; F193-K195 PolarHBondContact O-N 3.11Å; F193-W196 PolarHBondContact O-N 3.12Å; F193-V197 HydrophobicContact CD1-CG2 4.12Å; F193-V197 HydrophobicContact CE1-CG2 3.77Å; F193-V197 HydrophobicContact CE2-CG2 4.23Å; F193-V197 HydrophobicContact CZ-CG2 3.83Å; F193-V197 WeakPolarHBondContact O-CB 3.4Å; F193-V197 WeakPolarHBondContact O-CG2 3.26Å; F193-V197 PolarHBondContact O-N 3.34Å |
| 194 | L | 92.9 | Very high | 87.1 | Confident | 124 Ų | 124 | 107.2 Ų | 107.2 | 65% | 0.649 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.4 | -40.6 | 176.2 | -92.5 | 75.6 | 0 | 0 | 0 | 112 | G190 Y191 K198 | G190-L194 WeakPolarHBondContact O-CD1 3.35Å; G190-L194 PolarHBondContact O-N 2.78Å; Y191-L194 PolarHBondContact O-N 2.93Å; L194-K198 WeakPolarHBondContact O-CB 3.34Å; L194-K198 PolarHBondContact O-N 3.29Å |
| 195 | K | 94.7 | Very high | 88 | Confident | 117 Ų | 117 | 109 Ų | 109 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 173.1 | -77.7 | -77.5 | -172.1 | 165.4 | 0 | 111.3 | Y191 Y192 F193 K198 L199 | Y191-K195 HydrophobicContact CE1-CG 4.2Å; Y191-K195 HydrophobicContact CE2-CG 4.24Å; Y191-K195 VanDerWaalsContact CZ-CE 3.46Å; Y191-K195 WeakPolarHBondContact O-CB 3.45Å; Y191-K195 WeakPolarHBondContact O-CG 3.38Å; Y191-K195 PolarHBondContact O-N 2.78Å; Y191-K195 WeakPolarHBondContact OH-CE 3.34Å; Y192-K195 PolarHBondContact O-N 3.31Å; F193-K195 PolarHBondContact O-N 3.11Å; K195-K198 PolarHBondContact O-N 2.84Å; K195-L199 WeakPolarHBondContact O-CB 3.24Å; K195-L199 PolarHBondContact O-N 2.95Å |
| 196 | W | 94.3 | Very high | 88.6 | Confident | 141 Ų | 141 | 109.9 Ų | 109.9 | 53% | 0.534 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 178.4 | -172.6 | 80.4 | 0 | 0 | 0 | 111.8 | Y192 F193 K198 L199 L200 | Y192-W196 VanDerWaalsContact O-CB 3.29Å; Y192-W196 WeakPolarHBondContact O-CB 3.11Å; Y192-W196 PolarHBondContact O-N 2.74Å; F193-W196 PolarHBondContact O-N 3.12Å; W196-K198 VanDerWaalsContact C-N 3.33Å; W196-K198 PolarHBondContact O-N 3.43Å; W196-L199 CarbonylContact O-C 3.53Å; W196-L199 WeakPolarHBondContact O-CB 3.35Å; W196-L199 PolarHBondContact O-N 2.97Å; W196-L200 HydrophobicContact CD2-CD1 4.4Å; W196-L200 HydrophobicContact CE3-CD2 4.4Å; W196-L200 HydrophobicContact CH2-CD1 4.34Å; W196-L200 HydrophobicContact CH2-CD2 3.58Å; W196-L200 HydrophobicContact CZ2-CD1 3.76Å; W196-L200 HydrophobicContact CZ2-CD2 3.88Å; W196-L200 HydrophobicContact CZ2-CG 4.46Å; W196-L200 HydrophobicContact CZ3-CD2 3.87Å; W196-L200 WeakPolarHBondContact O-CB 3.28Å; W196-L200 PolarHBondContact O-N 3.2Å |
| 197 | V | 95.5 | Very high | 88.7 | Confident | 45 Ų | 45 | 112.1 Ų | 112.1 | 27% | 0.273 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 174.9 | 170.3 | 0 | 0 | 0 | 0 | 111.8 | F193 R201 | F193-V197 HydrophobicContact CD1-CG2 4.12Å; F193-V197 HydrophobicContact CE1-CG2 3.77Å; F193-V197 HydrophobicContact CE2-CG2 4.23Å; F193-V197 HydrophobicContact CZ-CG2 3.83Å; F193-V197 WeakPolarHBondContact O-CB 3.4Å; F193-V197 WeakPolarHBondContact O-CG2 3.26Å; F193-V197 PolarHBondContact O-N 3.34Å; V197-R201 WeakPolarHBondContact O-CB 3.41Å; V197-R201 PolarHBondContact O-N 3.32Å |
| 198 | K | 94.5 | Very high | 88.4 | Confident | 163 Ų | 163 | 115.7 Ų | 115.7 | 71% | 0.709 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.9 | -41.3 | 174.6 | -174.3 | 166.1 | -179.8 | 159.9 | 0 | 111.5 | L194 K195 W196 R201 S202 | L194-K198 WeakPolarHBondContact O-CB 3.34Å; L194-K198 PolarHBondContact O-N 3.29Å; K195-K198 PolarHBondContact O-N 2.84Å; W196-K198 VanDerWaalsContact C-N 3.33Å; W196-K198 PolarHBondContact O-N 3.43Å; K198-R201 PolarHBondContact O-N 3.33Å; K198-S202 PolarHBondContact O-N 2.99Å |
| 199 | L | 94 | Very high | 87.2 | Confident | 100 Ų | 100 | 118.5 Ų | 118.5 | 52% | 0.524 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.9 | -50.5 | 173.7 | -177.7 | 64 | 0 | 0 | 0 | 110.8 | K195 W196 R201 S202 L203 | K195-L199 WeakPolarHBondContact O-CB 3.24Å; K195-L199 PolarHBondContact O-N 2.95Å; W196-L199 CarbonylContact O-C 3.53Å; W196-L199 WeakPolarHBondContact O-CB 3.35Å; W196-L199 PolarHBondContact O-N 2.97Å; L199-R201 VanDerWaalsContact C-N 3.28Å; L199-R201 PolarHBondContact O-N 2.83Å; L199-S202 CarbonylContact O-C 3.49Å; L199-S202 WeakPolarHBondContact O-CA 3.48Å; L199-S202 VanDerWaalsContact O-CB 3.27Å; L199-S202 WeakPolarHBondContact O-CB 3.49Å; L199-S202 PolarHBondContact O-N 2.98Å; L199-L203 HydrophobicContact CD1-CD1 3.56Å; L199-L203 HydrophobicContact CD2-CD1 4.47Å; L199-L203 HydrophobicContact CG-CD1 3.57Å; L199-L203 WeakPolarHBondContact O-CD1 3.45Å; L199-L203 PolarHBondContact O-N 3.44Å |
| 200 | L | 91.8 | Very high | 85.9 | Confident | 54 Ų | 54 | 116.7 Ų | 116.7 | 28% | 0.283 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.7 | -32.4 | 177.9 | -130.6 | 73.3 | 0 | 0 | 0 | 113.1 | W196 R204 | W196-L200 HydrophobicContact CD2-CD1 4.4Å; W196-L200 HydrophobicContact CE3-CD2 4.4Å; W196-L200 HydrophobicContact CH2-CD1 4.34Å; W196-L200 HydrophobicContact CH2-CD2 3.58Å; W196-L200 HydrophobicContact CZ2-CD1 3.76Å; W196-L200 HydrophobicContact CZ2-CD2 3.88Å; W196-L200 HydrophobicContact CZ2-CG 4.46Å; W196-L200 HydrophobicContact CZ3-CD2 3.87Å; W196-L200 WeakPolarHBondContact O-CB 3.28Å; W196-L200 PolarHBondContact O-N 3.2Å; L200-R204 VanDerWaalsContact O-CB 3.26Å; L200-R204 WeakPolarHBondContact O-CB 3.21Å; L200-R204 WeakPolarHBondContact O-CG 3.29Å; L200-R204 PolarHBondContact O-N 2.82Å; L200-R204 PolarHBondContact O-NE 2.92Å |
| 201 | R | 92.3 | Very high | 84.1 | Confident | 155 Ų | 155 | 121.4 Ų | 121.4 | 59% | 0.585 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.1 | -33.7 | 171.2 | -175.7 | -179.9 | -85.7 | 133.7 | -10.6 | 111.4 | V197 K198 L199 R205 | V197-R201 WeakPolarHBondContact O-CB 3.41Å; V197-R201 PolarHBondContact O-N 3.32Å; K198-R201 PolarHBondContact O-N 3.33Å; L199-R201 VanDerWaalsContact C-N 3.28Å; L199-R201 PolarHBondContact O-N 2.83Å; R201-R205 WeakPolarHBondContact O-CG 3.41Å; R201-R205 PolarHBondContact O-N 2.9Å |
| 202 | S | 91 | Very high | 81.9 | Confident | 64 Ų | 64 | 123.8 Ų | 123.8 | 45% | 0.448 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.8 | -46.7 | 173.7 | -158.4 | 0 | 0 | 0 | 0 | 111.9 | K198 L199 R205 Q206 | K198-S202 PolarHBondContact O-N 2.99Å; L199-S202 CarbonylContact O-C 3.49Å; L199-S202 WeakPolarHBondContact O-CA 3.48Å; L199-S202 VanDerWaalsContact O-CB 3.27Å; L199-S202 WeakPolarHBondContact O-CB 3.49Å; L199-S202 PolarHBondContact O-N 2.98Å; S202-R205 WeakPolarHBondContact O-CB 3.35Å; S202-R205 PolarHBondContact O-N 3.08Å; S202-R205 VanDerWaalsContact O-N 3.12Å; S202-Q206 WeakPolarHBondContact O-CG 3.27Å; S202-Q206 PolarHBondContact O-N 3.04Å |
| 203 | L | 88.7 | Confident | 79.7 | Confident | 101 Ų | 101 | 124.1 Ų | 124.1 | 53% | 0.529 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.4 | -39.7 | 173.5 | -84.4 | 105.2 | 0 | 0 | 0 | 111.8 | L199 R205 Q206 Y207 | L199-L203 HydrophobicContact CD1-CD1 3.56Å; L199-L203 HydrophobicContact CD2-CD1 4.47Å; L199-L203 HydrophobicContact CG-CD1 3.57Å; L199-L203 WeakPolarHBondContact O-CD1 3.45Å; L199-L203 PolarHBondContact O-N 3.44Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 2.92Å; L203-Q206 PolarHBondContact O-N 3.35Å; L203-Y207 VanDerWaalsContact O-CB 3.28Å; L203-Y207 WeakPolarHBondContact O-CB 3.34Å; L203-Y207 PolarHBondContact O-N 3.16Å |
| 204 | R | 88.9 | Confident | 77.4 | Confident | 154 Ų | 154 | 123.6 Ų | 123.6 | 58% | 0.581 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.9 | -26.7 | 172.3 | -82.3 | -174.3 | -82.6 | -178.9 | -12.3 | 113.7 | L200 K208 | L200-R204 VanDerWaalsContact O-CB 3.26Å; L200-R204 WeakPolarHBondContact O-CB 3.21Å; L200-R204 WeakPolarHBondContact O-CG 3.29Å; L200-R204 PolarHBondContact O-N 2.82Å; L200-R204 PolarHBondContact O-NE 2.92Å; R204-K208 WeakPolarHBondContact O-CB 3.4Å; R204-K208 VanDerWaalsContact O-CG 3.24Å; R204-K208 WeakPolarHBondContact O-CG 3.46Å; R204-K208 PolarHBondContact O-N 3.11Å; R204-K208 VanDerWaalsContact O-N 3.14Å |
| 205 | R | 81.6 | Confident | 74.8 | Confident | 167 Ų | 167 | 128.1 Ų | 128.1 | 63% | 0.63 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.7 | -53.5 | 168.4 | -79.1 | 175.8 | 178.7 | -151.8 | -2.4 | 110.1 | R201 S202 L203 Y207 K208 E209 | R201-R205 WeakPolarHBondContact O-CG 3.41Å; R201-R205 PolarHBondContact O-N 2.9Å; S202-R205 WeakPolarHBondContact O-CB 3.35Å; S202-R205 PolarHBondContact O-N 3.08Å; S202-R205 VanDerWaalsContact O-N 3.12Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 2.92Å; R205-Y207 VanDerWaalsContact C-N 3.3Å; R205-Y207 PolarHBondContact O-N 3.48Å; R205-K208 CarbonylContact O-C 3.58Å; R205-K208 WeakPolarHBondContact O-CA 3.2Å; R205-K208 PolarHBondContact O-N 3.25Å; R205-E209 WeakPolarHBondContact O-CB 3.35Å; R205-E209 PolarHBondContact O-N 2.98Å |
| 206 | Q | 77.2 | Confident | 72.9 | Confident | 135 Ų | 135 | 125.6 Ų | 125.6 | 63% | 0.631 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -54.5 | -42.9 | 176.8 | -68.9 | -72.4 | -53.2 | 0 | 0 | 112.5 | S202 L203 E209 S210 | S202-Q206 WeakPolarHBondContact O-CG 3.27Å; S202-Q206 PolarHBondContact O-N 3.04Å; L203-Q206 PolarHBondContact O-N 3.35Å; Q206-E209 PolarHBondContact O-N 3.32Å; Q206-S210 WeakPolarHBondContact O-CB 3.47Å; Q206-S210 PolarHBondContact O-N 3.49Å; Q206-S210 PolarHBondContact O-OG 2.73Å |
| 207 | Y | 73.7 | Confident | 70.6 | Confident | 148 Ų | 148 | 123.1 Ų | 123.1 | 58% | 0.58 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.4 | -36.3 | 176 | -172.5 | -95.9 | 0 | 0 | 0 | 113 | L203 R205 S210 Q211 | L203-Y207 VanDerWaalsContact O-CB 3.28Å; L203-Y207 WeakPolarHBondContact O-CB 3.34Å; L203-Y207 PolarHBondContact O-N 3.16Å; R205-Y207 VanDerWaalsContact C-N 3.3Å; R205-Y207 PolarHBondContact O-N 3.48Å; Y207-S210 WeakPolarHBondContact CA-OG 3.21Å; Y207-S210 PolarHBondContact O-OG 3.18Å; Y207-Q211 HydrophobicContact CD1-CG 4.16Å; Y207-Q211 HydrophobicContact CE1-CG 3.82Å; Y207-Q211 VanDerWaalsContact O-CB 3.29Å; Y207-Q211 WeakPolarHBondContact O-CB 3.31Å; Y207-Q211 WeakPolarHBondContact O-CG 3.42Å; Y207-Q211 PolarHBondContact O-N 3.46Å; Y207-Q211 PolarHBondContact OH-NE2 3.18Å; Y207-Q211 VanDerWaalsContact OH-NE2 3.11Å |
| 208 | K | 70.4 | Confident | 68.3 | Low | 152 Ų | 152 | 128.3 Ų | 128.3 | 66% | 0.661 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.1 | -37.9 | 172.7 | -78.4 | -176.3 | 174.9 | -152 | 0 | 112.1 | R204 R205 Q211 F212 | R204-K208 WeakPolarHBondContact O-CB 3.4Å; R204-K208 VanDerWaalsContact O-CG 3.24Å; R204-K208 WeakPolarHBondContact O-CG 3.46Å; R204-K208 PolarHBondContact O-N 3.11Å; R204-K208 VanDerWaalsContact O-N 3.14Å; R205-K208 CarbonylContact O-C 3.58Å; R205-K208 WeakPolarHBondContact O-CA 3.2Å; R205-K208 PolarHBondContact O-N 3.25Å; K208-Q211 PolarHBondContact O-N 2.94Å; K208-F212 WeakPolarHBondContact O-CB 3.47Å; K208-F212 PolarHBondContact O-N 2.82Å |
| 209 | E | 57.9 | Low | 65.9 | Low | 124 Ų | 124 | 123.6 Ų | 123.6 | 58% | 0.579 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.6 | -42.8 | 174.1 | -131.8 | 76.7 | -139.9 | 0 | 0 | 110.1 | R205 Q206 F212 H213 | R205-E209 WeakPolarHBondContact O-CB 3.35Å; R205-E209 PolarHBondContact O-N 2.98Å; Q206-E209 PolarHBondContact O-N 3.32Å; E209-F212 CarbonylContact O-C 3.51Å; E209-F212 PolarHBondContact O-N 3.46Å; E209-H213 WeakPolarHBondContact O-CB 3.4Å; E209-H213 PolarHBondContact O-N 3.27Å |
| 210 | S | 57.4 | Low | 63.3 | Low | 71 Ų | 71 | 125.2 Ų | 125.2 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.8 | -36.4 | 176.2 | 63.2 | 0 | 0 | 0 | 0 | 112.9 | Q206 Y207 F212 H213 | Q206-S210 WeakPolarHBondContact O-CB 3.47Å; Q206-S210 PolarHBondContact O-N 3.49Å; Q206-S210 PolarHBondContact O-OG 2.73Å; Y207-S210 WeakPolarHBondContact CA-OG 3.21Å; Y207-S210 PolarHBondContact O-OG 3.18Å; S210-F212 VanDerWaalsContact C-N 3.33Å; S210-H213 PolarHBondContact O-N 2.93Å |
| 211 | Q | 53.2 | Low | 61.1 | Low | 126 Ų | 126 | 129.2 Ų | 129.2 | 59% | 0.589 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.4 | -27.3 | 171.1 | -78 | -110.7 | -13.4 | 0 | 0 | 113.1 | Y207 K208 | Y207-Q211 HydrophobicContact CD1-CG 4.16Å; Y207-Q211 HydrophobicContact CE1-CG 3.82Å; Y207-Q211 VanDerWaalsContact O-CB 3.29Å; Y207-Q211 WeakPolarHBondContact O-CB 3.31Å; Y207-Q211 WeakPolarHBondContact O-CG 3.42Å; Y207-Q211 PolarHBondContact O-N 3.46Å; Y207-Q211 PolarHBondContact OH-NE2 3.18Å; Y207-Q211 VanDerWaalsContact OH-NE2 3.11Å; K208-Q211 PolarHBondContact O-N 2.94Å |
| 212 | F | 47 | Very low | 58.9 | Low | 182 Ų | 182 | 125 Ų | 125 | 80% | 0.798 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -95 | -1.5 | 178 | -159.5 | -102.3 | 0 | 0 | 0 | 113.1 | K208 E209 S210 E214 | K208-F212 WeakPolarHBondContact O-CB 3.47Å; K208-F212 PolarHBondContact O-N 2.82Å; E209-F212 CarbonylContact O-C 3.51Å; E209-F212 PolarHBondContact O-N 3.46Å; S210-F212 VanDerWaalsContact C-N 3.33Å; F212-E214 PolarHBondContact O-N 2.99Å |
| 213 | H | 44.9 | Very low | 56.7 | Low | 157 Ų | 157 | 126.8 Ų | 126.8 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -83.7 | 11.7 | 173.4 | -143.4 | 62.3 | 0 | 0 | 0 | 113.3 | E209 S210 | E209-H213 WeakPolarHBondContact O-CB 3.4Å; E209-H213 PolarHBondContact O-N 3.27Å; S210-H213 PolarHBondContact O-N 2.93Å |
| 214 | E | 43.7 | Very low | 54.7 | Low | 115 Ų | 115 | 132 Ų | 132 | 54% | 0.537 | 66% | 0.664 | S | S | . | * | | | trans | -122.7 | 50.7 | -177.7 | -160.8 | 157 | -140.7 | 0 | 0 | 112.3 | F212 | F212-E214 PolarHBondContact O-N 2.99Š|
| 215 | Y | 39.3 | Very low | 53.1 | Low | 219 Ų | 219 | 133.5 Ų | 133.5 | 86% | 0.859 | 68% | 0.675 | S | S | * | * | | | trans | -137.7 | 91.6 | 145 | -99.4 | -79.7 | 0 | 0 | 0 | 109.1 | S217 | Y215-S217 PolarHBondContact O-N 3.49Š|
| 216 | P | 52.9 | Low | 51.2 | Low | 64 Ų | 64 | 131 Ų | 131 | 42% | 0.416 | 68% | 0.682 | S | S | . | * | | | trans | -59.8 | 124.2 | 153.3 | -1.2 | 16.7 | 0 | 0 | 0 | 105.7 | F218 M235 | P216-F218 HydrophobicContact CB-CD2 3.82Å; P216-F218 HydrophobicContact CB-CE2 3.87Å; P216-F218 HydrophobicContact CG-CD2 4.17Å; P216-F218 HydrophobicContact CG-CE2 4.02Å; P216-F218 PolarHBondContact O-N 3.25Å; P216-M235 HydrophobicContact CB-CE 3.87Å; P216-M235 HydrophobicContact CG-CE 3.84Å |
| 217 | S | 47.2 | Very low | 50.1 | Low | 90 Ų | 90 | 133.7 Ų | 133.7 | 63% | 0.629 | 69% | 0.687 | S | S | * | * | | | trans | -72 | 73 | -179.3 | -170.2 | 0 | 0 | 0 | 0 | 111.2 | Y215 G219 L220 | Y215-S217 PolarHBondContact O-N 3.49Å; S217-G219 PolarHBondContact O-N 2.91Å; S217-L220 WeakPolarHBondContact OG-CD1 3.28Å |
| 218 | F | 45.9 | Very low | 49.2 | Very low | 154 Ų | 154 | 128.9 Ų | 128.9 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 75.8 | 165.8 | -82.1 | -84.5 | 0 | 0 | 0 | 108.6 | P216 M235 | P216-F218 HydrophobicContact CB-CD2 3.82Å; P216-F218 HydrophobicContact CB-CE2 3.87Å; P216-F218 HydrophobicContact CG-CD2 4.17Å; P216-F218 HydrophobicContact CG-CE2 4.02Å; P216-F218 PolarHBondContact O-N 3.25Å; F218-M235 HydrophobicContact CE2-CE 3.53Å; F218-M235 HydrophobicContact CZ-CE 3.72Å |
| 219 | G | 44.4 | Very low | 48.9 | Very low | 63 Ų | 63 | 126.5 Ų | 126.5 | 65% | 0.649 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -179.1 | -22.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | S217 P221 | S217-G219 PolarHBondContact O-N 2.91Å; G219-P221 VanDerWaalsContact O-CD 3.27Å; G219-P221 WeakPolarHBondContact O-CD 3.46Å |
| 220 | L | 40.8 | Very low | 49.2 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 70% | 0.702 | 68% | 0.678 | S | S | * | * | | | trans | -83.5 | 117 | 177.6 | -86.3 | 86 | 0 | 0 | 0 | 112 | S217 G222 | S217-L220 WeakPolarHBondContact OG-CD1 3.28Å; L220-G222 PolarHBondContact O-N 3.41Å |
| 221 | P | 45.5 | Very low | 49.7 | Very low | 139 Ų | 139 | 125.1 Ų | 125.1 | 90% | 0.903 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 89.8 | 175.2 | 32.5 | -34 | 0 | 0 | 0 | 110.2 | G219 | G219-P221 VanDerWaalsContact O-CD 3.27Å; G219-P221 WeakPolarHBondContact O-CD 3.46Å |
| 222 | G | 45 | Very low | 50.5 | Low | 65 Ų | 65 | 122 Ų | 122 | 67% | 0.67 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -171.2 | -35.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | L220 K224 | L220-G222 PolarHBondContact O-N 3.41Å; G222-K224 PolarHBondContact O-N 2.92Å |
| 223 | S | 46.2 | Very low | 51.8 | Low | 102 Ų | 102 | 116.2 Ų | 116.2 | 71% | 0.713 | 65% | 0.645 | S | S | * | * | | | trans | -84 | 85.5 | -172.4 | 52.6 | 0 | 0 | 0 | 0 | 113 | K225 | S223-K225 PolarHBondContact O-N 3.07Š|
| 224 | K | 46.1 | Very low | 53.2 | Low | 210 Ų | 210 | 111.3 Ų | 111.3 | 91% | 0.913 | 63% | 0.632 | S | S | * | * | | | trans | -69.8 | 41.9 | 170.4 | -61.6 | -170.4 | -179.8 | -176.5 | 0 | 113.9 | G222 S226 | G222-K224 PolarHBondContact O-N 2.92Å; K224-S226 PolarHBondContact O-N 3.06Å |
| 225 | K | 54 | Low | 54.8 | Low | 187 Ų | 187 | 109.4 Ų | 109.4 | 81% | 0.813 | 62% | 0.624 | S | S | * | * | | | trans | -76.3 | 118.4 | 162.8 | -74.2 | -177.1 | 177.5 | 179.2 | 0 | 106.7 | S223 R227 | S223-K225 PolarHBondContact O-N 3.07Å; K225-R227 PolarHBondContact O-N 2.81Å; K225-R227 VanDerWaalsContact O-N 3.1Å |
| 226 | S | 43.4 | Very low | 57 | Low | 113 Ų | 113 | 103.3 Ų | 103.3 | 79% | 0.79 | 61% | 0.606 | S | S | * | * | | | trans | -49.3 | 117.4 | 177.9 | 49.5 | 0 | 0 | 0 | 0 | 110.2 | K224 S228 | K224-S226 PolarHBondContact O-N 3.06Å; S226-S228 VanDerWaalsContact C-N 3.34Å; S226-S228 PolarHBondContact O-N 3.01Å |
| 227 | R | 53.2 | Low | 58.7 | Low | 192 Ų | 192 | 104 Ų | 104 | 73% | 0.725 | 61% | 0.612 | S | S | * | * | | | trans | -61.3 | 98.7 | 166.8 | -71.1 | 179.5 | 178 | 170.1 | -2.5 | 107 | K225 V232 | K225-R227 PolarHBondContact O-N 2.81Å; K225-R227 VanDerWaalsContact O-N 3.1Å; R227-V232 HydrophobicContact CB-CG2 4.38Å |
| 228 | S | 55 | Low | 60.6 | Low | 48 Ų | 48 | 106.4 Ų | 106.4 | 34% | 0.336 | 61% | 0.612 | S | S | . | * | | | trans | -64.8 | 143.4 | 165.1 | 60.3 | 0 | 0 | 0 | 0 | 107.6 | S226 D230 S231 | S226-S228 VanDerWaalsContact C-N 3.34Å; S226-S228 PolarHBondContact O-N 3.01Å; S228-D230 PolarHBondContact O-N 3.35Å; S228-S231 PolarHBondContact N-OG 2.95Å; S228-S231 PolarHBondContact O-N 3.31Å; S228-S231 PolarHBondContact O-OG 3.26Å; S228-S231 WeakPolarHBondContact OG-CB 3.33Å; S228-S231 PolarHBondContact OG-N 2.86Å |
| 229 | P | 63.3 | Low | 62.7 | Low | 102 Ų | 102 | 103.8 Ų | 103.8 | 66% | 0.662 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -54.2 | -36.9 | 176.7 | 21.6 | -32.2 | 0 | 0 | 0 | 111.1 | S231 V232 A233 | P229-S231 VanDerWaalsContact C-N 3.28Å; P229-S231 PolarHBondContact O-N 3.48Å; P229-V232 PolarHBondContact O-N 2.94Å; P229-A233 PolarHBondContact O-N 3.38Å |
| 230 | D | 65.8 | Low | 64.9 | Low | 118 Ų | 118 | 103.3 Ų | 103.3 | 63% | 0.631 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -58.3 | -35.1 | 176.1 | -38.7 | -43.7 | 0 | 0 | 0 | 113.2 | S228 A234 | S228-D230 PolarHBondContact O-N 3.35Å; D230-A234 WeakPolarHBondContact O-CB 3.27Å; D230-A234 PolarHBondContact O-N 2.72Å |
| 231 | S | 66.2 | Low | 67.3 | Low | 48 Ų | 48 | 100 Ų | 100 | 34% | 0.336 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71.3 | -33.2 | -179.9 | 67.9 | 0 | 0 | 0 | 0 | 112.9 | S228 P229 M235 | S228-S231 PolarHBondContact N-OG 2.95Å; S228-S231 PolarHBondContact O-N 3.31Å; S228-S231 PolarHBondContact O-OG 3.26Å; S228-S231 WeakPolarHBondContact OG-CB 3.33Å; S228-S231 PolarHBondContact OG-N 2.86Å; P229-S231 VanDerWaalsContact C-N 3.28Å; P229-S231 PolarHBondContact O-N 3.48Å; S231-M235 VanDerWaalsContact O-CG 3.3Å; S231-M235 WeakPolarHBondContact O-CG 3.46Å; S231-M235 PolarHBondContact O-N 3.25Å |
| 232 | V | 71 | Confident | 69.6 | Low | 60 Ų | 60 | 95.2 Ų | 95.2 | 36% | 0.364 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -75.9 | -47.9 | 175.9 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | R227 P229 A234 M235 D236 | R227-V232 HydrophobicContact CB-CG2 4.38Å; P229-V232 PolarHBondContact O-N 2.94Å; V232-A234 VanDerWaalsContact C-N 3.28Å; V232-A234 PolarHBondContact O-N 3.47Å; V232-M235 WeakPolarHBondContact O-CA 3.39Å; V232-M235 WeakPolarHBondContact O-CB 3.27Å; V232-M235 PolarHBondContact O-N 3.43Å; V232-D236 PolarHBondContact O-N 2.81Å |
| 233 | A | 73.1 | Confident | 71.8 | Confident | 60 Ų | 60 | 94 Ų | 94 | 50% | 0.496 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.9 | -37.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | P229 M235 S237 | P229-A233 PolarHBondContact O-N 3.38Å; A233-M235 VanDerWaalsContact C-N 3.34Å; A233-S237 VanDerWaalsContact O-CB 3.3Å; A233-S237 WeakPolarHBondContact O-CB 3.5Å; A233-S237 PolarHBondContact O-N 2.9Å |
| 234 | A | 75.4 | Confident | 74.1 | Confident | 54 Ų | 54 | 96 Ų | 96 | 45% | 0.446 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.5 | -22.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | D230 V232 K238 | D230-A234 WeakPolarHBondContact O-CB 3.27Å; D230-A234 PolarHBondContact O-N 2.72Å; V232-A234 VanDerWaalsContact C-N 3.28Å; V232-A234 PolarHBondContact O-N 3.47Å; A234-K238 WeakPolarHBondContact O-CG 3.39Å |
| 235 | M | 77.2 | Confident | 76.4 | Confident | 75 Ų | 75 | 91.2 Ų | 91.2 | 37% | 0.369 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -79 | -45.8 | 170.7 | -73.9 | 175.6 | 62.7 | 0 | 0 | 110.7 | P216 F218 S231 V232 A233 S237 K238 L239 | P216-M235 HydrophobicContact CB-CE 3.87Å; P216-M235 HydrophobicContact CG-CE 3.84Å; F218-M235 HydrophobicContact CE2-CE 3.53Å; F218-M235 HydrophobicContact CZ-CE 3.72Å; S231-M235 VanDerWaalsContact O-CG 3.3Å; S231-M235 WeakPolarHBondContact O-CG 3.46Å; S231-M235 PolarHBondContact O-N 3.25Å; V232-M235 WeakPolarHBondContact O-CA 3.39Å; V232-M235 WeakPolarHBondContact O-CB 3.27Å; V232-M235 PolarHBondContact O-N 3.43Å; A233-M235 VanDerWaalsContact C-N 3.34Å; M235-S237 VanDerWaalsContact C-N 3.32Å; M235-S237 PolarHBondContact O-N 3.03Å; M235-K238 WeakPolarHBondContact O-CB 3.5Å; M235-K238 PolarHBondContact O-N 3.03Å; M235-K238 VanDerWaalsContact O-N 3.13Å; M235-L239 PolarHBondContact O-N 3.42Å |
| 236 | D | 85.5 | Confident | 78.4 | Confident | 91 Ų | 91 | 89.4 Ų | 89.4 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -36.7 | 178.9 | -63.7 | -21.5 | 0 | 0 | 0 | 111.7 | V232 K238 L239 A240 | V232-D236 PolarHBondContact O-N 2.81Å; D236-K238 VanDerWaalsContact C-N 3.34Å; D236-K238 PolarHBondContact O-N 3.29Å; D236-L239 PolarHBondContact O-N 3.41Å; D236-A240 VanDerWaalsContact O-CB 3.28Å; D236-A240 WeakPolarHBondContact O-CB 3.27Å; D236-A240 PolarHBondContact O-N 3.2Å |
| 237 | S | 87.7 | Confident | 80.9 | Confident | 79 Ų | 79 | 89.6 Ų | 89.6 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.5 | -38 | 173.2 | 174.7 | 0 | 0 | 0 | 0 | 113.1 | A233 M235 S241 | A233-S237 VanDerWaalsContact O-CB 3.3Å; A233-S237 WeakPolarHBondContact O-CB 3.5Å; A233-S237 PolarHBondContact O-N 2.9Å; M235-S237 VanDerWaalsContact C-N 3.32Å; M235-S237 PolarHBondContact O-N 3.03Å; S237-S241 PolarHBondContact O-N 3.44Å; S237-S241 PolarHBondContact O-OG 3.16Å |
| 238 | K | 87.5 | Confident | 83 | Confident | 141 Ų | 141 | 87.2 Ų | 87.2 | 61% | 0.613 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.8 | -41.5 | 174 | -71.3 | 176.7 | 179.6 | -176.5 | 0 | 111.9 | A234 M235 D236 S241 A242 | A234-K238 WeakPolarHBondContact O-CG 3.39Å; M235-K238 WeakPolarHBondContact O-CB 3.5Å; M235-K238 PolarHBondContact O-N 3.03Å; M235-K238 VanDerWaalsContact O-N 3.13Å; D236-K238 VanDerWaalsContact C-N 3.34Å; D236-K238 PolarHBondContact O-N 3.29Å; K238-S241 WeakPolarHBondContact CA-OG 3.33Å; K238-S241 PolarHBondContact O-N 2.84Å; K238-S241 PolarHBondContact O-OG 2.75Å; K238-A242 WeakPolarHBondContact O-CB 3.48Å; K238-A242 PolarHBondContact O-N 3.13Å |
| 239 | L | 89.8 | Confident | 84.9 | Confident | 99 Ų | 99 | 90 Ų | 90 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 176.6 | -174.5 | 63.2 | 0 | 0 | 0 | 111.6 | M235 D236 A242 A243 | M235-L239 PolarHBondContact O-N 3.42Å; D236-L239 PolarHBondContact O-N 3.41Å; L239-A242 PolarHBondContact O-N 3.13Å; L239-A243 WeakPolarHBondContact O-CB 3.32Å; L239-A243 PolarHBondContact O-N 2.91Å |
| 240 | A | 91.8 | Very high | 86.5 | Confident | 53 Ų | 53 | 88.5 Ų | 88.5 | 44% | 0.438 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D236 A243 Q244 | D236-A240 VanDerWaalsContact O-CB 3.28Å; D236-A240 WeakPolarHBondContact O-CB 3.27Å; D236-A240 PolarHBondContact O-N 3.2Å; A240-A243 PolarHBondContact O-N 3.45Å; A240-Q244 WeakPolarHBondContact O-CG 3.34Å; A240-Q244 PolarHBondContact O-N 3.44Å |
| 241 | S | 90.6 | Very high | 87.9 | Confident | 64 Ų | 64 | 86.2 Ų | 86.2 | 45% | 0.448 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.6 | -36.6 | 175.7 | 48.4 | 0 | 0 | 0 | 0 | 112.8 | S237 K238 Q244 L245 | S237-S241 PolarHBondContact O-N 3.44Å; S237-S241 PolarHBondContact O-OG 3.16Å; K238-S241 WeakPolarHBondContact CA-OG 3.33Å; K238-S241 PolarHBondContact O-N 2.84Å; K238-S241 PolarHBondContact O-OG 2.75Å; S241-Q244 PolarHBondContact O-N 3.27Å; S241-L245 PolarHBondContact O-N 3.02Å; S241-L245 VanDerWaalsContact O-N 3.14Å |
| 242 | A | 93.1 | Very high | 89.3 | Confident | 38 Ų | 38 | 89.4 Ų | 89.4 | 31% | 0.314 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | K238 L239 L245 Y246 | K238-A242 WeakPolarHBondContact O-CB 3.48Å; K238-A242 PolarHBondContact O-N 3.13Å; L239-A242 PolarHBondContact O-N 3.13Å; A242-L245 PolarHBondContact O-N 3.09Å; A242-Y246 PolarHBondContact O-N 3.01Å |
| 243 | A | 93 | Very high | 90.4 | Very high | 41 Ų | 41 | 92 Ų | 92 | 34% | 0.339 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L239 A240 L245 Y246 H247 | L239-A243 WeakPolarHBondContact O-CB 3.32Å; L239-A243 PolarHBondContact O-N 2.91Å; A240-A243 PolarHBondContact O-N 3.45Å; A243-L245 VanDerWaalsContact C-N 3.34Å; A243-L245 PolarHBondContact O-N 2.95Å; A243-Y246 WeakPolarHBondContact O-CB 3.37Å; A243-Y246 PolarHBondContact O-N 3.39Å; A243-H247 PolarHBondContact O-CD2 3.05Å; A243-H247 PolarHBondContact O-N 3.44Å |
| 244 | Q | 94.3 | Very high | 91.3 | Very high | 142 Ų | 142 | 93.5 Ų | 93.5 | 66% | 0.664 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.6 | -45.3 | 173 | -76.1 | 175.3 | -6.1 | 0 | 0 | 112 | A240 S241 H247 F248 | A240-Q244 WeakPolarHBondContact O-CG 3.34Å; A240-Q244 PolarHBondContact O-N 3.44Å; S241-Q244 PolarHBondContact O-N 3.27Å; Q244-H247 PolarHBondContact O-N 2.85Å; Q244-F248 PolarHBondContact O-N 3.14Å |
| 245 | L | 94.6 | Very high | 92.1 | Very high | 111 Ų | 111 | 95.4 Ų | 95.4 | 58% | 0.581 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.8 | -39.5 | 177.6 | -177.6 | 61.5 | 0 | 0 | 0 | 112.2 | S241 A242 A243 F248 Q249 | S241-L245 PolarHBondContact O-N 3.02Å; S241-L245 VanDerWaalsContact O-N 3.14Å; A242-L245 PolarHBondContact O-N 3.09Å; A243-L245 VanDerWaalsContact C-N 3.34Å; A243-L245 PolarHBondContact O-N 2.95Å; L245-F248 PolarHBondContact O-N 2.9Å; L245-Q249 WeakPolarHBondContact O-CB 3.49Å; L245-Q249 PolarHBondContact O-N 3.14Å |
| 246 | Y | 96 | Very high | 92.6 | Very high | 149 Ų | 149 | 95.5 Ų | 95.5 | 58% | 0.584 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.4 | -48.5 | 174 | 173.3 | -95.8 | 0 | 0 | 0 | 111.5 | A242 A243 F248 Q249 H250 | A242-Y246 PolarHBondContact O-N 3.01Å; A243-Y246 WeakPolarHBondContact O-CB 3.37Å; A243-Y246 PolarHBondContact O-N 3.39Å; Y246-F248 PolarHBondContact O-N 3.49Å; Y246-Q249 PolarHBondContact O-N 3.41Å; Y246-H250 WeakPolarHBondContact O-CB 3.3Å; Y246-H250 PolarHBondContact O-N 2.96Å |
| 247 | H | 96 | Very high | 92.6 | Very high | 117 Ų | 117 | 95.1 Ų | 95.1 | 54% | 0.542 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 176.6 | -72.8 | -59.9 | 0 | 0 | 0 | 112 | A243 Q244 Q249 H250 T251 | A243-H247 PolarHBondContact O-CD2 3.05Å; A243-H247 PolarHBondContact O-N 3.44Å; Q244-H247 PolarHBondContact O-N 2.85Å; H247-Q249 PolarHBondContact O-N 3.27Å; H247-H250 PolarHBondContact O-N 3.44Å; H247-T251 WeakPolarHBondContact O-CB 3.49Å; H247-T251 PolarHBondContact O-N 3.29Å; H247-T251 PolarHBondContact O-OG1 2.99Å; H247-T251 VanDerWaalsContact O-OG1 3.09Å |
| 248 | F | 96.3 | Very high | 92.3 | Very high | 142 Ų | 142 | 98.4 Ų | 98.4 | 62% | 0.623 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.6 | -46.2 | 175.4 | 175.2 | -99.4 | 0 | 0 | 0 | 112.3 | Q244 L245 Y246 K252 | Q244-F248 PolarHBondContact O-N 3.14Å; L245-F248 PolarHBondContact O-N 2.9Å; Y246-F248 PolarHBondContact O-N 3.49Å; F248-K252 VanDerWaalsContact O-CB 3.27Å; F248-K252 WeakPolarHBondContact O-CB 3.47Å; F248-K252 PolarHBondContact O-N 2.96Å |
| 249 | Q | 95.2 | Very high | 91.5 | Very high | 106 Ų | 106 | 98 Ų | 98 | 50% | 0.495 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 178.8 | -176.9 | 177.1 | -37.6 | 0 | 0 | 112.1 | L245 Y246 H247 K252 Q253 | L245-Q249 WeakPolarHBondContact O-CB 3.49Å; L245-Q249 PolarHBondContact O-N 3.14Å; Y246-Q249 PolarHBondContact O-N 3.41Å; H247-Q249 PolarHBondContact O-N 3.27Å; Q249-K252 PolarHBondContact O-N 3.37Å; Q249-Q253 WeakPolarHBondContact O-CG 3.48Å; Q249-Q253 PolarHBondContact O-N 3.29Å |
| 250 | H | 95.7 | Very high | 89.9 | Confident | 71 Ų | 71 | 100 Ų | 100 | 33% | 0.329 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -52 | 177.4 | -177.6 | -86 | 0 | 0 | 0 | 111.4 | Y246 H247 K252 Q253 Q254 | Y246-H250 WeakPolarHBondContact O-CB 3.3Å; Y246-H250 PolarHBondContact O-N 2.96Å; H247-H250 PolarHBondContact O-N 3.44Å; H250-K252 VanDerWaalsContact C-N 3.28Å; H250-K252 PolarHBondContact O-N 3.19Å; H250-Q253 WeakPolarHBondContact O-CB 3.41Å; H250-Q253 PolarHBondContact O-N 3.41Å; H250-Q254 PolarHBondContact CE1-NE2 3.1Å; H250-Q254 PolarHBondContact CE1-OE1 2.81Å; H250-Q254 PolarHBondContact ND1-OE1 2.91Å; H250-Q254 PolarHBondContact O-N 2.95Å |
| 251 | T | 95.4 | Very high | 88.1 | Confident | 70 Ų | 70 | 102.3 Ų | 102.3 | 43% | 0.429 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59 | -40.6 | 176.4 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | H247 Q253 Q254 I255 | H247-T251 WeakPolarHBondContact O-CB 3.49Å; H247-T251 PolarHBondContact O-N 3.29Å; H247-T251 PolarHBondContact O-OG1 2.99Å; H247-T251 VanDerWaalsContact O-OG1 3.09Å; T251-Q253 VanDerWaalsContact C-N 3.35Å; T251-Q253 PolarHBondContact O-N 2.95Å; T251-Q254 PolarHBondContact O-N 3.29Å; T251-I255 HydrophobicContact CG2-CD1 4.02Å; T251-I255 WeakPolarHBondContact O-CG1 3.44Å; T251-I255 PolarHBondContact O-N 3.23Å |
| 252 | K | 95.9 | Very high | 86.1 | Confident | 115 Ų | 115 | 103.6 Ų | 103.6 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 173.8 | 178.7 | 176.5 | 178 | 175.7 | 0 | 112.3 | F248 Q249 H250 I256 | F248-K252 VanDerWaalsContact O-CB 3.27Å; F248-K252 WeakPolarHBondContact O-CB 3.47Å; F248-K252 PolarHBondContact O-N 2.96Å; Q249-K252 PolarHBondContact O-N 3.37Å; H250-K252 VanDerWaalsContact C-N 3.28Å; H250-K252 PolarHBondContact O-N 3.19Å; K252-I256 HydrophobicContact CG-CD1 3.89Å; K252-I256 WeakPolarHBondContact O-CD1 3.28Å; K252-I256 VanDerWaalsContact O-CG1 3.27Å; K252-I256 WeakPolarHBondContact O-CG1 3.48Å; K252-I256 PolarHBondContact O-N 2.84Å |
| 253 | Q | 93.8 | Very high | 83.8 | Confident | 113 Ų | 113 | 107.5 Ų | 107.5 | 53% | 0.528 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.4 | -40.1 | 176.3 | -74.3 | 178.7 | -2.4 | 0 | 0 | 111.8 | Q249 H250 T251 I256 S257 | Q249-Q253 WeakPolarHBondContact O-CG 3.48Å; Q249-Q253 PolarHBondContact O-N 3.29Å; H250-Q253 WeakPolarHBondContact O-CB 3.41Å; H250-Q253 PolarHBondContact O-N 3.41Å; T251-Q253 VanDerWaalsContact C-N 3.35Å; T251-Q253 PolarHBondContact O-N 2.95Å; Q253-I256 PolarHBondContact O-N 3.13Å; Q253-S257 WeakPolarHBondContact O-CB 3.3Å; Q253-S257 PolarHBondContact O-N 2.89Å; Q253-S257 PolarHBondContact O-OG 3.29Å |
| 254 | Q | 92.5 | Very high | 81.6 | Confident | 92 Ų | 92 | 111.6 Ų | 111.6 | 43% | 0.43 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.5 | -49.4 | 174.4 | -70.7 | -178.3 | -58.1 | 0 | 0 | 111.5 | H250 T251 I256 S257 M258 | H250-Q254 PolarHBondContact CE1-NE2 3.1Å; H250-Q254 PolarHBondContact CE1-OE1 2.81Å; H250-Q254 PolarHBondContact ND1-OE1 2.91Å; H250-Q254 PolarHBondContact O-N 2.95Å; T251-Q254 PolarHBondContact O-N 3.29Å; Q254-I256 PolarHBondContact O-N 2.68Å; Q254-S257 WeakPolarHBondContact CA-OG 3.48Å; Q254-S257 PolarHBondContact O-N 3.42Å; Q254-S257 PolarHBondContact O-OG 2.98Å; Q254-M258 WeakPolarHBondContact O-CB 3.16Å; Q254-M258 VanDerWaalsContact O-CG 3.28Å; Q254-M258 WeakPolarHBondContact O-CG 3.4Å; Q254-M258 PolarHBondContact O-N 3.45Å |
| 255 | I | 91.3 | Very high | 79.5 | Confident | 95 Ų | 95 | 110.8 Ų | 110.8 | 49% | 0.487 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -56.6 | -52 | 176.7 | -66.1 | 164.4 | 0 | 0 | 0 | 110.5 | T251 S257 M258 E259 | T251-I255 HydrophobicContact CG2-CD1 4.02Å; T251-I255 WeakPolarHBondContact O-CG1 3.44Å; T251-I255 PolarHBondContact O-N 3.23Å; I255-S257 VanDerWaalsContact C-N 3.28Å; I255-S257 PolarHBondContact O-N 2.97Å; I255-M258 CarbonylContact O-C 3.54Å; I255-M258 PolarHBondContact O-N 3.24Å; I255-E259 WeakPolarHBondContact O-CB 3.3Å; I255-E259 PolarHBondContact O-N 3.06Å |
| 256 | I | 89.2 | Confident | 77.2 | Confident | 76 Ų | 76 | 113.3 Ų | 113.3 | 39% | 0.39 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -57.4 | -41 | 178.8 | -67.4 | 164.9 | 0 | 0 | 0 | 111.4 | K252 Q253 Q254 M258 H260 | K252-I256 HydrophobicContact CG-CD1 3.89Å; K252-I256 WeakPolarHBondContact O-CD1 3.28Å; K252-I256 VanDerWaalsContact O-CG1 3.27Å; K252-I256 WeakPolarHBondContact O-CG1 3.48Å; K252-I256 PolarHBondContact O-N 2.84Å; Q253-I256 PolarHBondContact O-N 3.13Å; Q254-I256 PolarHBondContact O-N 2.68Å; I256-M258 VanDerWaalsContact C-N 3.32Å; I256-M258 PolarHBondContact O-N 2.89Å; I256-H260 PolarHBondContact O-CD2 3.44Å |
| 257 | S | 84.8 | Confident | 74.7 | Confident | 84 Ų | 84 | 114 Ų | 114 | 59% | 0.587 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70 | -25.7 | 177.2 | 64.6 | 0 | 0 | 0 | 0 | 114.1 | Q253 Q254 I255 | Q253-S257 WeakPolarHBondContact O-CB 3.3Å; Q253-S257 PolarHBondContact O-N 2.89Å; Q253-S257 PolarHBondContact O-OG 3.29Å; Q254-S257 WeakPolarHBondContact CA-OG 3.48Å; Q254-S257 PolarHBondContact O-N 3.42Å; Q254-S257 PolarHBondContact O-OG 2.98Å; I255-S257 VanDerWaalsContact C-N 3.28Å; I255-S257 PolarHBondContact O-N 2.97Å |
| 258 | M | 81.1 | Confident | 72.7 | Confident | 148 Ų | 148 | 114.2 Ų | 114.2 | 73% | 0.729 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -91.3 | -20.6 | 178.7 | -68.6 | 173.7 | 65.8 | 0 | 0 | 113.2 | Q254 I255 I256 H260 P261 | Q254-M258 WeakPolarHBondContact O-CB 3.16Å; Q254-M258 VanDerWaalsContact O-CG 3.28Å; Q254-M258 WeakPolarHBondContact O-CG 3.4Å; Q254-M258 PolarHBondContact O-N 3.45Å; I255-M258 CarbonylContact O-C 3.54Å; I255-M258 PolarHBondContact O-N 3.24Å; I256-M258 VanDerWaalsContact C-N 3.32Å; I256-M258 PolarHBondContact O-N 2.89Å; M258-H260 VanDerWaalsContact C-N 3.27Å; M258-H260 PolarHBondContact O-N 3.16Å; M258-P261 VanDerWaalsContact O-CD 3.31Å; M258-P261 WeakPolarHBondContact O-CD 3.46Å |
| 259 | E | 70.7 | Confident | 70.6 | Confident | 132 Ų | 132 | 114.8 Ų | 114.8 | 62% | 0.617 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -80.2 | -5.9 | 177.2 | -164.1 | 180 | 152.5 | 0 | 0 | 112.6 | I255 | I255-E259 WeakPolarHBondContact O-CB 3.3Å; I255-E259 PolarHBondContact O-N 3.06Å |
| 260 | H | 56.6 | Low | 68.6 | Low | 141 Ų | 141 | 114.4 Ų | 114.4 | 65% | 0.653 | 62% | 0.617 | S | S | * | * | | | trans | -107.7 | 60 | 179.7 | -62 | -25.2 | 0 | 0 | 0 | 116.1 | I256 M258 | I256-H260 PolarHBondContact O-CD2 3.44Å; M258-H260 VanDerWaalsContact C-N 3.27Å; M258-H260 PolarHBondContact O-N 3.16Å |
| 261 | P | 54.4 | Low | 66.3 | Low | 101 Ų | 101 | 117.8 Ų | 117.8 | 66% | 0.656 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -126.3 | 64.3 | 160.7 | 40.7 | -29.6 | 0 | 0 | 0 | 112.9 | M258 | M258-P261 VanDerWaalsContact O-CD 3.31Å; M258-P261 WeakPolarHBondContact O-CD 3.46Å |
| 262 | S | 48.3 | Very low | 64.1 | Low | 92 Ų | 92 | 122.1 Ų | 122.1 | 64% | 0.643 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 179.5 | -28 | 159 | 32.7 | 0 | 0 | 0 | 0 | 116.7 | D264 | S262-D264 PolarHBondContact O-N 2.9Š|
| 263 | C | 45.7 | Very low | 62.3 | Low | 120 Ų | 120 | 121.3 Ų | 121.3 | 81% | 0.811 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 4.2 | -158.4 | -61.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 264 | D | 45.5 | Very low | 60.6 | Low | 126 Ų | 126 | 124 Ų | 124 | 67% | 0.674 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.2 | 41.7 | 176.9 | -131.3 | -8.1 | 0 | 0 | 0 | 112.9 | S262 K266 | S262-D264 PolarHBondContact O-N 2.9Å; D264-K266 PolarHBondContact O-N 2.95Å; D264-K266 VanDerWaalsContact O-N 3.12Å; D264-K266 IonicContact OD1-NZ 2.78Å; D264-K266 PolarHBondContact OD1-NZ 3.26Å |
| 265 | V | 49.5 | Very low | 58.9 | Low | 125 Ų | 125 | 126.1 Ų | 126.1 | 76% | 0.758 | 70% | 0.699 | S | S | * | * | | | trans | -81.4 | 73.4 | 161 | -172.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 266 | K | 46.5 | Very low | 57.5 | Low | 164 Ų | 164 | 130 Ų | 130 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | | | trans | -82.7 | 113 | 158.7 | -72.7 | -170.7 | -168.9 | 77.7 | 0 | 107.7 | D264 | D264-K266 PolarHBondContact O-N 2.95Å; D264-K266 VanDerWaalsContact O-N 3.12Å; D264-K266 IonicContact OD1-NZ 2.78Å; D264-K266 PolarHBondContact OD1-NZ 3.26Å |
| 267 | E | 44.4 | Very low | 56.3 | Low | 164 Ų | 164 | 134.5 Ų | 134.5 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | | | trans | -50.4 | 125 | -176 | -58.1 | -177.8 | 162.6 | 0 | 0 | 112.4 | I269 | E267-I269 VanDerWaalsContact C-N 3.33Å; E267-I269 PolarHBondContact O-N 3.18Å; E267-I269 VanDerWaalsContact O-N 3.1Å |
| 268 | P | 53.9 | Low | 55.2 | Low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | | | trans | -74.5 | 92.1 | 158 | 31.1 | -30 | 0 | 0 | 0 | 108.1 | | |
| 269 | I | 52.5 | Low | 54.5 | Low | 154 Ų | 154 | 139.8 Ų | 139.8 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | | | trans | -77.2 | 138.3 | 164.3 | -168.3 | 166 | 0 | 0 | 0 | 109.3 | E267 | E267-I269 VanDerWaalsContact C-N 3.33Å; E267-I269 PolarHBondContact O-N 3.18Å; E267-I269 VanDerWaalsContact O-N 3.1Å |
| 270 | S | 52.6 | Low | 54.4 | Low | 97 Ų | 97 | 136.1 Ų | 136.1 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | | | trans | 66.1 | 136 | -162.3 | -108.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 271 | D | 48.1 | Very low | 55 | Low | 142 Ų | 142 | 136.3 Ų | 136.3 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | | | cis | -133.7 | 148.3 | 22 | -129.1 | 5 | 0 | 0 | 0 | 113.5 | | |
| 272 | D | 49.4 | Very low | 55.8 | Low | 162 Ų | 162 | 142.4 Ų | 142.4 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | | | trans | -83.8 | 108.9 | 172.5 | -176.1 | 20.3 | 0 | 0 | 0 | 108.4 | | |
| 273 | S | 56.9 | Low | 57.4 | Low | 97 Ų | 97 | 143.1 Ų | 143.1 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | | | trans | -143.3 | 98.3 | 175.7 | 66.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 274 | E | 59.1 | Low | 59.1 | Low | 171 Ų | 171 | 142.9 Ų | 142.9 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | | | trans | 41 | 106 | 142.5 | -56.1 | -69 | 150.8 | 0 | 0 | 116.8 | E276 | E274-E276 PolarHBondContact O-N 2.95Š|
| 275 | V | 56.3 | Low | 60.8 | Low | 136 Ų | 136 | 145.4 Ų | 145.4 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | | | trans | -65.5 | 109.4 | 164.4 | 175.7 | 0 | 0 | 0 | 0 | 109 | | |
| 276 | E | 62.9 | Low | 62.3 | Low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | | | trans | -121.2 | 131.7 | 160.4 | -80.5 | -66.9 | 156.2 | 0 | 0 | 109.6 | E274 | E274-E276 PolarHBondContact O-N 2.95Š|
| 277 | E | 62.4 | Low | 63.8 | Low | 170 Ų | 170 | 144.5 Ų | 144.5 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | | | trans | -103.6 | 86.4 | -158.3 | -175.6 | 172.4 | -131.7 | 0 | 0 | 108.8 | | |
| 278 | D | 63.2 | Low | 65.6 | Low | 157 Ų | 157 | 141.6 Ų | 141.6 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | | | trans | -99 | 96.9 | 173.3 | -162.8 | 16.4 | 0 | 0 | 0 | 110.5 | G280 | D278-G280 PolarHBondContact O-N 3.01Š|
| 279 | E | 65.7 | Low | 66.5 | Low | 186 Ų | 186 | 139.2 Ų | 139.2 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | | | trans | -77 | 55.3 | -177.3 | -154.4 | 167.3 | -159.2 | 0 | 0 | 110.8 | D281 | E279-D281 PolarHBondContact O-N 2.93Š|
| 280 | G | 67.9 | Low | 67.2 | Low | 55 Ų | 55 | 140 Ų | 140 | 57% | 0.567 | 77% | 0.766 | S | S | * | * | | | trans | -88.9 | 101.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115 | D278 | D278-G280 PolarHBondContact O-N 3.01Š|
| 281 | D | 70.3 | Confident | 67.9 | Low | 145 Ų | 145 | 139.4 Ų | 139.4 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | | | trans | 50.7 | 90 | 158.1 | -64.3 | -21.4 | 0 | 0 | 0 | 117.6 | E279 S283 | E279-D281 PolarHBondContact O-N 2.93Å; D281-S283 PolarHBondContact O-N 3.2Å |
| 282 | Y | 71.3 | Confident | 68.9 | Low | 229 Ų | 229 | 138.7 Ų | 138.7 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | | | trans | -67.2 | 70.1 | 161.6 | -134.7 | -86.7 | 0 | 0 | 0 | 110.6 | V284 | Y282-V284 VanDerWaalsContact C-N 3.29Å; Y282-V284 HydrophobicContact CD1-CG2 4.32Å; Y282-V284 PolarHBondContact O-N 3.28Å |
| 283 | S | 81.2 | Confident | 69.9 | Low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | -71.2 | 81 | -177.4 | 54.8 | 0 | 0 | 0 | 0 | 111.2 | D281 Y285 | D281-S283 PolarHBondContact O-N 3.2Å; S283-Y285 PolarHBondContact O-N 3.32Å |
| 284 | V | 80.7 | Confident | 70.7 | Confident | 115 Ų | 115 | 135.6 Ų | 135.6 | 70% | 0.697 | 76% | 0.763 | S | S | * | * | | | trans | -62.2 | 105.6 | 167.5 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | Y282 E286 | Y282-V284 VanDerWaalsContact C-N 3.29Å; Y282-V284 HydrophobicContact CD1-CG2 4.32Å; Y282-V284 PolarHBondContact O-N 3.28Å; V284-E286 VanDerWaalsContact C-N 3.28Å; V284-E286 PolarHBondContact O-N 3.01Å |
| 285 | Y | 81.8 | Confident | 71.5 | Confident | 179 Ų | 179 | 134.5 Ų | 134.5 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | | | trans | -70.8 | 89.3 | 171.1 | -176.3 | -100 | 0 | 0 | 0 | 108.8 | S283 C287 | S283-Y285 PolarHBondContact O-N 3.32Å; Y285-C287 VanDerWaalsContact CD1-SG 3.59Å; Y285-C287 HydrophobicContact CE1-CB 4.31Å; Y285-C287 VanDerWaalsContact CE1-SG 3.57Å; Y285-C287 PolarHBondContact O-N 3.48Å |
| 286 | E | 81.4 | Confident | 72.4 | Confident | 178 Ų | 178 | 135.8 Ų | 135.8 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | trans | -71.3 | 95.1 | 172.7 | -164 | 167.6 | -140.3 | 0 | 0 | 108.2 | V284 | V284-E286 VanDerWaalsContact C-N 3.28Å; V284-E286 PolarHBondContact O-N 3.01Å |
| 287 | C | 77.9 | Confident | 73.1 | Confident | 92 Ų | 92 | 135.2 Ų | 135.2 | 62% | 0.622 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -51 | 122.5 | -178.2 | -71 | 0 | 0 | 0 | 0 | 110.2 | Y285 G289 | Y285-C287 VanDerWaalsContact CD1-SG 3.59Å; Y285-C287 HydrophobicContact CE1-CB 4.31Å; Y285-C287 VanDerWaalsContact CE1-SG 3.57Å; Y285-C287 PolarHBondContact O-N 3.48Å; C287-G289 PolarHBondContact O-N 3.12Å |
| 288 | P | 81.4 | Confident | 73.8 | Confident | 103 Ų | 103 | 133.9 Ų | 133.9 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 136 | 173.1 | 23.5 | -32.5 | 0 | 0 | 0 | 108.9 | | |
| 289 | G | 73 | Confident | 74.6 | Confident | 72 Ų | 72 | 133.3 Ų | 133.3 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -49 | 147.9 | -160.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | C287 | C287-G289 PolarHBondContact O-N 3.12Š|
| 290 | L | 68.7 | Low | 75.3 | Confident | 170 Ų | 170 | 128.1 Ų | 128.1 | 89% | 0.89 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -41.7 | 145.9 | 173.7 | -71.6 | 162.1 | 0 | 0 | 0 | 111.7 | | |
| 291 | A | 67.2 | Low | 76 | Confident | 85 Ų | 85 | 131.3 Ų | 131.3 | 70% | 0.702 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -39.2 | 139.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | T293 | A291-T293 PolarHBondContact O-N 3.2Å; A291-T293 VanDerWaalsContact O-N 3.16Å |
| 292 | P | 69.2 | Low | 76.4 | Confident | 126 Ų | 126 | 132 Ų | 132 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | trans | -47.9 | 124 | -165.4 | 17.8 | -32.6 | 0 | 0 | 0 | 111.3 | G294 | P292-G294 PolarHBondContact O-N 3.06Š|
| 293 | T | 69.9 | Low | 76.5 | Confident | 141 Ų | 141 | 128.8 Ų | 128.8 | 87% | 0.865 | 73% | 0.734 | S | S | * | * | | | trans | -72.7 | 55.4 | 174.3 | -38.1 | 0 | 0 | 0 | 0 | 110.1 | A291 | A291-T293 PolarHBondContact O-N 3.2Å; A291-T293 VanDerWaalsContact O-N 3.16Å |
| 294 | G | 74.1 | Confident | 76.1 | Confident | 53 Ų | 53 | 129.8 Ų | 129.8 | 55% | 0.546 | 74% | 0.735 | S | S | . | * | | | trans | -87 | 135.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | P292 M296 | P292-G294 PolarHBondContact O-N 3.06Å; G294-M296 PolarHBondContact O-N 2.96Å |
| 295 | D | 74.7 | Confident | 75.5 | Confident | 149 Ų | 149 | 129.1 Ų | 129.1 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | | | trans | -59.6 | 96.9 | -178.7 | -46.2 | -52.4 | 0 | 0 | 0 | 109.2 | E297 | D295-E297 PolarHBondContact O-N 2.91Š|
| 296 | M | 76.5 | Confident | 74.5 | Confident | 162 Ų | 162 | 126.3 Ų | 126.3 | 80% | 0.798 | 74% | 0.74 | S | S | * | * | | | trans | -78.3 | 83 | -179.3 | -173 | 163 | 62.2 | 0 | 0 | 108.5 | G294 I298 | G294-M296 PolarHBondContact O-N 2.96Å; M296-I298 HydrophobicContact CG-CG1 4.48Å; M296-I298 PolarHBondContact O-N 3.25Å |
| 297 | E | 77.6 | Confident | 73.2 | Confident | 164 Ų | 164 | 125.5 Ų | 125.5 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | | | trans | -59.6 | 106.3 | 171.7 | -67.1 | -178.8 | 157.9 | 0 | 0 | 108.8 | D295 D299 | D295-E297 PolarHBondContact O-N 2.91Å; E297-D299 PolarHBondContact O-N 3.07Å |
| 298 | I | 77.3 | Confident | 71.7 | Confident | 143 Ų | 143 | 124.3 Ų | 124.3 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | | | trans | -88.5 | 87.9 | 175.1 | -57 | 178.1 | 0 | 0 | 0 | 107.7 | M296 N300 | M296-I298 HydrophobicContact CG-CG1 4.48Å; M296-I298 PolarHBondContact O-N 3.25Å; I298-N300 PolarHBondContact O-N 3.46Å |
| 299 | D | 79.7 | Confident | 70.1 | Confident | 145 Ų | 145 | 128.2 Ų | 128.2 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | | | trans | -64.5 | 115.5 | 171 | -80.8 | -32.2 | 0 | 0 | 0 | 110.4 | E297 P301 | E297-D299 PolarHBondContact O-N 3.07Å; D299-P301 WeakPolarHBondContact O-CD 3.23Å |
| 300 | N | 79.4 | Confident | 68.5 | Low | 76 Ų | 76 | 128.9 Ų | 128.9 | 41% | 0.406 | 76% | 0.76 | S | S | . | * | | | trans | -80.5 | 118.5 | 174.1 | 176 | -9.9 | 0 | 0 | 0 | 109.2 | I298 M302 F303 | I298-N300 PolarHBondContact O-N 3.46Å; N300-M302 PolarHBondContact O-N 2.99Å; N300-M302 WeakPolarHBondContact OD1-CB 3.48Å; N300-M302 PolarHBondContact OD1-N 2.95Å; N300-F303 HydrophobicContact CB-CD2 3.89Å; N300-F303 PolarHBondContact O-N 3.38Å |
| 301 | P | 82.6 | Confident | 67.6 | Low | 123 Ų | 123 | 127.7 Ų | 127.7 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -10.4 | -174.4 | 26.5 | -36.1 | 0 | 0 | 0 | 114.8 | D299 F303 | D299-P301 WeakPolarHBondContact O-CD 3.23Å; P301-F303 VanDerWaalsContact C-N 3.34Å |
| 302 | M | 78 | Confident | 66.7 | Low | 159 Ų | 159 | 126.6 Ų | 126.6 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -15.5 | 172.3 | -61.2 | -59.1 | -63.7 | 0 | 0 | 113.3 | N300 | N300-M302 PolarHBondContact O-N 2.99Å; N300-M302 WeakPolarHBondContact OD1-CB 3.48Å; N300-M302 PolarHBondContact OD1-N 2.95Å |
| 303 | F | 74.1 | Confident | 65.4 | Low | 161 Ų | 161 | 130.5 Ų | 130.5 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | trans | -99.4 | 90.8 | 176.4 | -72.6 | -91.3 | 0 | 0 | 0 | 110 | N300 P301 P305 | N300-F303 HydrophobicContact CB-CD2 3.89Å; N300-F303 PolarHBondContact O-N 3.38Å; P301-F303 VanDerWaalsContact C-N 3.34Å; F303-P305 VanDerWaalsContact O-CD 3.23Å; F303-P305 WeakPolarHBondContact O-CD 3.17Å |
| 304 | V | 73.1 | Confident | 64.5 | Low | 130 Ų | 130 | 129.1 Ų | 129.1 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | | | trans | -71.1 | 113.4 | 156.7 | -91.1 | 0 | 0 | 0 | 0 | 108 | S306 | V304-S306 PolarHBondContact O-N 3.23Š|
| 305 | P | 67.3 | Low | 63 | Low | 101 Ų | 101 | 134.8 Ų | 134.8 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | | | trans | -61.2 | 127.5 | 169.8 | 26.3 | -32.8 | 0 | 0 | 0 | 107.9 | F303 N307 | F303-P305 VanDerWaalsContact O-CD 3.23Å; F303-P305 WeakPolarHBondContact O-CD 3.17Å; P305-N307 VanDerWaalsContact C-N 3.32Å; P305-N307 PolarHBondContact O-N 3.22Å; P305-N307 PolarHBondContact O-OD1 3.49Å |
| 306 | S | 61.1 | Low | 61.8 | Low | 120 Ų | 120 | 131.7 Ų | 131.7 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | | | trans | -70.4 | 92.3 | 178.1 | 56.8 | 0 | 0 | 0 | 0 | 109 | V304 G308 | V304-S306 PolarHBondContact O-N 3.23Å; S306-G308 PolarHBondContact O-N 2.85Å |
| 307 | N | 54.1 | Low | 60.5 | Low | 160 Ų | 160 | 129.9 Ų | 129.9 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | | | trans | -49.3 | 111 | -178.7 | -63.4 | -40.1 | 0 | 0 | 0 | 110.7 | P305 | P305-N307 VanDerWaalsContact C-N 3.32Å; P305-N307 PolarHBondContact O-N 3.22Å; P305-N307 PolarHBondContact O-OD1 3.49Å |
| 308 | G | 46.6 | Very low | 59.2 | Low | 67 Ų | 67 | 128.4 Ų | 128.4 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -143.2 | -38.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S306 | S306-G308 PolarHBondContact O-N 2.85Š|
| 309 | E | 47.4 | Very low | 57.6 | Low | 186 Ų | 186 | 128.3 Ų | 128.3 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -157.7 | 146.6 | 170.3 | -107.8 | 152.5 | 165.4 | 0 | 0 | 110.1 | I311 | E309-I311 PolarHBondContact O-N 2.91Š|
| 310 | G | 39.1 | Very low | 56.2 | Low | 85 Ų | 85 | 124.8 Ų | 124.8 | 88% | 0.876 | 74% | 0.744 | S | S | * | * | | | trans | -75.9 | 107.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G312 | G310-G312 PolarHBondContact O-N 3.25Š|
| 311 | I | 51.3 | Low | 54.6 | Low | 145 Ų | 145 | 130 Ų | 130 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | | | trans | -88.7 | 83.3 | 168.4 | -57.1 | -175.7 | 0 | 0 | 0 | 108.7 | E309 V314 | E309-I311 PolarHBondContact O-N 2.91Å; I311-V314 HydrophobicContact CG2-CG2 3.43Å; I311-V314 VanDerWaalsContact CG2-CG2 3.43Å |
| 312 | G | 48.3 | Very low | 52.8 | Low | 63 Ų | 63 | 128.7 Ų | 128.7 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | | | trans | -72.2 | 128 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | G310 | G310-G312 PolarHBondContact O-N 3.25Š|
| 313 | K | 42.4 | Very low | 51.4 | Low | 207 Ų | 207 | 126.2 Ų | 126.2 | 90% | 0.9 | 76% | 0.763 | S | S | * | * | | | trans | 48.5 | 69.2 | 156.3 | -54.1 | -170.8 | 179.3 | -166.3 | 0 | 115.7 | K315 | K313-K315 VanDerWaalsContact C-N 3.27Å; K313-K315 PolarHBondContact O-N 3.25Å |
| 314 | V | 50.5 | Low | 50.2 | Low | 113 Ų | 113 | 128.1 Ų | 128.1 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | trans | -77.1 | 84.6 | 164.7 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | I311 A316 | I311-V314 HydrophobicContact CG2-CG2 3.43Å; I311-V314 VanDerWaalsContact CG2-CG2 3.43Å; V314-A316 VanDerWaalsContact C-N 3.3Å; V314-A316 HydrophobicContact CG1-CB 4.34Å; V314-A316 PolarHBondContact O-N 3.02Å |
| 315 | K | 41.5 | Very low | 48.8 | Very low | 171 Ų | 171 | 125.5 Ų | 125.5 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | | | trans | -69.9 | 88.3 | 164.6 | -173.7 | -167.6 | -179.9 | -152.9 | 0 | 108.3 | K313 E317 | K313-K315 VanDerWaalsContact C-N 3.27Å; K313-K315 PolarHBondContact O-N 3.25Å; K315-E317 IonicContact NZ-OE1 3.46Å; K315-E317 PolarHBondContact NZ-OE1 3.36Å; K315-E317 PolarHBondContact O-N 3.04Å |
| 316 | A | 50.4 | Low | 47.8 | Very low | 85 Ų | 85 | 126.1 Ų | 126.1 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | | | trans | -83.2 | 102.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | V314 | V314-A316 VanDerWaalsContact C-N 3.3Å; V314-A316 HydrophobicContact CG1-CB 4.34Å; V314-A316 PolarHBondContact O-N 3.02Å |
| 317 | E | 48.6 | Very low | 47.7 | Very low | 124 Ų | 124 | 127 Ų | 127 | 58% | 0.579 | 78% | 0.778 | S | S | * | * | | | trans | -69.7 | 144.3 | 170.7 | -63.9 | -173.6 | 149.2 | 0 | 0 | 111.2 | K315 N319 | K315-E317 IonicContact NZ-OE1 3.46Å; K315-E317 PolarHBondContact NZ-OE1 3.36Å; K315-E317 PolarHBondContact O-N 3.04Å; E317-N319 PolarHBondContact O-N 3.1Å |
| 318 | P | 50.7 | Low | 48.1 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | | | trans | -80.5 | 87.9 | 179.6 | 33.1 | -34.1 | 0 | 0 | 0 | 110.6 | | |
| 319 | N | 44.5 | Very low | 48.3 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | trans | -103.8 | 107 | 173.3 | -99.3 | -43.3 | 0 | 0 | 0 | 111.8 | E317 | E317-N319 PolarHBondContact O-N 3.1Š|
| 320 | G | 48.3 | Very low | 48.8 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | | | trans | -85.7 | 126.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 321 | Q | 46.1 | Very low | 49.9 | Very low | 186 Ų | 186 | 131.8 Ų | 131.8 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | | | trans | -160.6 | 97.6 | 160 | -104.5 | 162 | 8 | 0 | 0 | 106.3 | | |
| 322 | A | 45.5 | Very low | 50.3 | Low | 94 Ų | 94 | 131.8 Ų | 131.8 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | | | | 64.1 | 104.8 | 79.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 323 | S | 47.5 | Very low | 50.6 | Low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | 67.2 | 116.3 | 154.6 | -162.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 324 | K | 50.1 | Low | 51 | Low | 201 Ų | 201 | 138.6 Ų | 138.6 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | | -167.8 | 142 | 104.6 | -95.3 | 148.7 | -170.7 | 175.2 | 0 | 111.5 | | |
| 325 | G | 44.1 | Very low | 51 | Low | 76 Ų | 76 | 139.9 Ų | 139.9 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | | | trans | -74.8 | 151.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 326 | S | 45.5 | Very low | 51.5 | Low | 114 Ų | 114 | 138.2 Ų | 138.2 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | | | trans | -92.9 | 106.7 | 173.7 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 327 | T | 58.9 | Low | 51.6 | Low | 137 Ų | 137 | 141.3 Ų | 141.3 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | | | trans | -82.5 | 118.3 | 166.7 | 46.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 328 | Q | 63.4 | Low | 51.8 | Low | 173 Ų | 173 | 142.4 Ų | 142.4 | 81% | 0.808 | 83% | 0.832 | S | S | * | * | | | trans | -81.3 | 127.4 | 175.7 | -66 | -174 | -1.6 | 0 | 0 | 111.5 | | |
| 329 | N | 50.6 | Low | 51.9 | Low | 148 Ų | 148 | 143.1 Ų | 143.1 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | | | trans | 18.7 | 118.3 | 150 | -64.3 | -59.1 | 0 | 0 | 0 | 119.5 | | |
| 330 | L | 58.5 | Low | 52.4 | Low | 186 Ų | 186 | 143.1 Ų | 143.1 | 97% | 0.974 | 84% | 0.835 | S | S | * | * | | | trans | -143.3 | 119.3 | 130.7 | -103.4 | 142.4 | 0 | 0 | 0 | 107.8 | | |
| 331 | S | 61.9 | Low | 52.7 | Low | 93 Ų | 93 | 148.7 Ų | 148.7 | 65% | 0.65 | 84% | 0.843 | S | S | * | * | | | trans | -126.1 | 152.6 | -177.1 | -176.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 332 | N | 60.1 | Low | 53.3 | Low | 144 Ų | 144 | 145.6 Ų | 145.6 | 77% | 0.77 | 84% | 0.841 | S | S | * | * | | | trans | 95.6 | 112.8 | 168.3 | -51.6 | -13.5 | 0 | 0 | 0 | 116.7 | | |
| 333 | Q | 53.3 | Low | 54 | Low | 274 Ų | 274 | 150.3 Ų | 150.3 | 100% | 1.28 | 85% | 0.847 | S | S | * | * | | | trans | 63.5 | 0 | 152.5 | -61.2 | -173 | 7.7 | 0 | 0 | 118.7 | | |