| 1 | M | 48.7 | Very low | 50.6 | Low | 243 Ų | 243 | 163.5 Ų | 163.5 | 100% | 1.197 | 86% | 0.862 | S | S | * | * | | | | 0 | 130.6 | 0 | -68.9 | 168.4 | 175.6 | 0 | 0 | 107.6 | | |
| 2 | Y | 41.1 | Very low | 50.1 | Low | 213 Ų | 213 | 155.8 Ų | 155.8 | 84% | 0.835 | 85% | 0.851 | S | S | * | * | | | trans | -81.8 | 143.9 | 176.2 | -101.3 | -100.4 | 0 | 0 | 0 | 110.7 | | |
| 3 | Q | 49.8 | Very low | 50 | Low | 198 Ų | 198 | 162.4 Ų | 162.4 | 93% | 0.925 | 86% | 0.855 | S | S | * | * | | | trans | -154.4 | 97.6 | 155.1 | -116.3 | 172.7 | 104.2 | 0 | 0 | 109.3 | | |
| 4 | S | 49.7 | Very low | 50.4 | Low | 96 Ų | 96 | 159.1 Ų | 159.1 | 67% | 0.671 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 133.2 | 176.1 | -55.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 5 | L | 53.3 | Low | 50.6 | Low | 164 Ų | 164 | 156.9 Ų | 156.9 | 86% | 0.859 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 125.2 | 179.9 | -69.7 | 163.9 | 0 | 0 | 0 | 110.9 | | |
| 6 | P | 61.1 | Low | 50.7 | Low | 118 Ų | 118 | 155.3 Ų | 155.3 | 77% | 0.766 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 148.1 | 177.5 | 31.6 | -34.4 | 0 | 0 | 0 | 112.2 | | |
| 7 | W | 44.1 | Very low | 50.5 | Low | 239 Ų | 239 | 153.1 Ų | 153.1 | 91% | 0.905 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 149.1 | 178.8 | -68.7 | 32.4 | 0 | 0 | 0 | 111.7 | | |
| 8 | P | 56.8 | Low | 50.2 | Low | 122 Ų | 122 | 152.3 Ų | 152.3 | 79% | 0.792 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 138.3 | 170.1 | 30.5 | -33.7 | 0 | 0 | 0 | 111.4 | | |
| 9 | P | 55 | Low | 49.8 | Very low | 121 Ų | 121 | 157.3 Ų | 157.3 | 79% | 0.786 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 157.9 | -178.1 | 31.3 | -35.6 | 0 | 0 | 0 | 113.6 | T11 | P9-T11 PolarHBondContact O-N 3.39Š|
| 10 | T | 45.3 | Very low | 49.2 | Very low | 141 Ų | 141 | 161.7 Ų | 161.7 | 87% | 0.865 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 127.5 | -179.5 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | G12 | T10-G12 PolarHBondContact O-N 3.11Š|
| 11 | T | 52 | Low | 48.7 | Very low | 144 Ų | 144 | 158.6 Ų | 158.6 | 88% | 0.883 | 85% | 0.846 | S | S | * | * | | | trans | -72.8 | 114.7 | 172.3 | 43.2 | 0 | 0 | 0 | 0 | 111.8 | P9 | P9-T11 PolarHBondContact O-N 3.39Š|
| 12 | G | 44.5 | Very low | 48.4 | Very low | 70 Ų | 70 | 151.3 Ų | 151.3 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 165.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | T10 | T10-G12 PolarHBondContact O-N 3.11Š|
| 13 | R | 48 | Very low | 48.6 | Very low | 242 Ų | 242 | 147.4 Ų | 147.4 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 146.1 | 178.8 | -69.3 | 177.7 | 169.3 | -164.8 | -2 | 112.6 | | |
| 14 | P | 55.5 | Low | 48.2 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 145.5 | 167.3 | 30.4 | -34.7 | 0 | 0 | 0 | 111.8 | | |
| 15 | P | 54.1 | Low | 47.8 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 158.3 | 175.9 | 31.6 | -35.1 | 0 | 0 | 0 | 112.9 | | |
| 16 | V | 52.3 | Low | 47.1 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 132.8 | -179.5 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | T18 | V16-T18 PolarHBondContact O-N 3.16Š|
| 17 | P | 47.2 | Very low | 45.8 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 119.1 | 176.5 | 28 | -34.1 | 0 | 0 | 0 | 111.7 | | |
| 18 | T | 45.2 | Very low | 45.9 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 125.2 | 173.8 | 37.2 | 0 | 0 | 0 | 0 | 111 | V16 R20 | V16-T18 PolarHBondContact O-N 3.16Å; T18-R20 PolarHBondContact O-N 3.35Å |
| 19 | R | 41.6 | Very low | 44.8 | Very low | 247 Ų | 247 | 136.3 Ų | 136.3 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 119.3 | 176.6 | -90.6 | -177.7 | 163.6 | -116.1 | -2.5 | 110.9 | A21 | R19-A21 PolarHBondContact O-N 2.66Š|
| 20 | R | 38 | Very low | 43.9 | Very low | 246 Ų | 246 | 142.2 Ų | 142.2 | 93% | 0.928 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 129.5 | 169.9 | -162 | 178.1 | -171.5 | -163.6 | 3.5 | 110.2 | T18 | T18-R20 PolarHBondContact O-N 3.35Š|
| 21 | A | 39.3 | Very low | 43.6 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 147.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R19 | R19-A21 PolarHBondContact O-N 2.66Š|
| 22 | A | 41.8 | Very low | 43.1 | Very low | 90 Ų | 90 | 138.8 Ų | 138.8 | 74% | 0.744 | 82% | 0.824 | S | S | * | * | | | trans | -106.3 | 144.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 23 | P | 45.3 | Very low | 42.8 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 84% | 0.844 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 148.1 | 179.6 | 29 | -34.8 | 0 | 0 | 0 | 111.9 | | |
| 24 | A | 41.2 | Very low | 42.6 | Very low | 93 Ų | 93 | 141.2 Ų | 141.2 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 148.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 25 | P | 43.1 | Very low | 41.6 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 138.4 | 175.7 | 30.2 | -34.6 | 0 | 0 | 0 | 111.8 | C27 | P25-C27 PolarHBondContact O-N 3.07Š|
| 26 | S | 37 | Very low | 40.7 | Very low | 117 Ų | 117 | 150.5 Ų | 150.5 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 118.1 | 178.9 | 38.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 27 | C | 34.8 | Very low | 39.7 | Very low | 128 Ų | 128 | 149.3 Ų | 149.3 | 87% | 0.865 | 84% | 0.837 | S | S | * | * | | | trans | -87 | 112.6 | 171.3 | -66.5 | 0 | 0 | 0 | 0 | 110 | P25 | P25-C27 PolarHBondContact O-N 3.07Š|
| 28 | T | 44.9 | Very low | 39.2 | Very low | 138 Ų | 138 | 150.3 Ų | 150.3 | 85% | 0.847 | 84% | 0.841 | S | S | * | * | | | trans | -75.6 | 127.6 | 175.7 | 41.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 29 | A | 34.3 | Very low | 38.7 | Very low | 110 Ų | 110 | 149.5 Ų | 149.5 | 91% | 0.909 | 84% | 0.839 | S | S | * | * | | | trans | -75 | 136.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 30 | R | 35.7 | Very low | 39.2 | Very low | 245 Ų | 245 | 144 Ų | 144 | 93% | 0.925 | 84% | 0.836 | S | S | * | * | | | trans | -126.4 | 115.8 | 174.6 | -167.3 | 171.7 | -172.5 | -111.6 | 7.3 | 110 | | |
| 31 | A | 39.3 | Very low | 39.1 | Very low | 85 Ų | 85 | 140.8 Ų | 140.8 | 70% | 0.702 | 83% | 0.831 | S | S | * | * | | | trans | -65.6 | 151.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 32 | P | 42.5 | Very low | 38.8 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 83% | 0.831 | 84% | 0.836 | S | S | * | * | | | trans | -71.7 | 150.5 | 177.1 | 31 | -35.4 | 0 | 0 | 0 | 111.8 | | |
| 33 | R | 38.6 | Very low | 38.2 | Very low | 237 Ų | 237 | 146.7 Ų | 146.7 | 89% | 0.894 | 84% | 0.836 | S | S | * | * | | | trans | -116.6 | 142.7 | 162.3 | -74.9 | -171.8 | 175 | -132.4 | 0.8 | 109 | | |
| 34 | P | 42.2 | Very low | 37.6 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | | | trans | -69.3 | 150.4 | 177.7 | 30.3 | -35.2 | 0 | 0 | 0 | 111.1 | | |
| 35 | R | 36.2 | Very low | 37.4 | Very low | 249 Ų | 249 | 148.1 Ų | 148.1 | 94% | 0.94 | 84% | 0.835 | S | S | * | * | | | trans | -121.5 | 137.4 | 159.4 | -86.8 | -173.5 | 168.8 | -107.4 | -0.7 | 108.7 | | |
| 36 | Q | 33.7 | Very low | 37 | Very low | 190 Ų | 190 | 150.6 Ų | 150.6 | 89% | 0.888 | 84% | 0.841 | S | S | * | * | | | trans | -86.5 | 168.9 | -173.4 | -69.6 | 168.3 | -17.3 | 0 | 0 | 111.8 | | |
| 37 | S | 32.5 | Very low | 37 | Very low | 106 Ų | 106 | 156.5 Ų | 156.5 | 74% | 0.741 | 85% | 0.845 | S | S | * | * | | | trans | -53.6 | 150 | 177.4 | 50.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 38 | T | 35.3 | Very low | 36.9 | Very low | 138 Ų | 138 | 155.5 Ų | 155.5 | 85% | 0.847 | 85% | 0.846 | S | S | * | * | | | | -156.7 | 132.1 | 129.5 | 3.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 39 | C | 35.5 | Very low | 36.3 | Very low | 121 Ų | 121 | 152.1 Ų | 152.1 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | | | trans | -111.5 | 150.6 | 165.4 | -58.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 40 | P | 51.9 | Low | 37 | Very low | 131 Ų | 131 | 153.2 Ų | 153.2 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | | | trans | -110.2 | 163.8 | 148.1 | 35.1 | -28.6 | 0 | 0 | 0 | 111.3 | | |
| 41 | H | 35.7 | Very low | 36.9 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 83% | 0.829 | 83% | 0.834 | S | S | * | * | | | trans | -144.3 | 150.4 | -168.4 | -152.7 | -35.2 | 0 | 0 | 0 | 110.6 | | |
| 42 | R | 33.3 | Very low | 36.6 | Very low | 239 Ų | 239 | 152 Ų | 152 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | | | trans | 83.2 | 159.1 | 165.9 | -57.8 | -179.4 | 156.8 | -146.2 | -4.6 | 118.2 | | |
| 43 | G | 30.1 | Very low | 37.1 | Very low | 73 Ų | 73 | 151.1 Ų | 151.1 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | | | trans | 104.7 | 81.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 44 | A | 32.3 | Very low | 37.7 | Very low | 91 Ų | 91 | 145.5 Ų | 145.5 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | | | cis | 93.4 | 113.2 | 35.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 45 | L | 35.8 | Very low | 37.1 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | | | trans | 54.7 | 124.9 | 155.5 | -62.1 | 167 | 0 | 0 | 0 | 120.5 | | |
| 46 | L | 36.1 | Very low | 36.9 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 89% | 0.89 | 83% | 0.825 | S | S | * | * | | | | -174.1 | 167.2 | 98.4 | -97.5 | 172.4 | 0 | 0 | 0 | 113.2 | | |
| 47 | R | 35.3 | Very low | 36.8 | Very low | 242 Ų | 242 | 144.1 Ų | 144.1 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | | | trans | -99.1 | 148.3 | 175.2 | -59.1 | 163.9 | 83.4 | -159.7 | 11.6 | 110.1 | | |
| 48 | A | 33.3 | Very low | 36.8 | Very low | 107 Ų | 107 | 150.3 Ų | 150.3 | 88% | 0.884 | 83% | 0.829 | S | S | * | * | | | trans | -147.8 | 144.6 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 49 | G | 32.6 | Very low | 36.7 | Very low | 67 Ų | 67 | 147.3 Ų | 147.3 | 69% | 0.691 | 83% | 0.825 | S | S | * | * | | | trans | -99.8 | -179.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 50 | P | 49.8 | Very low | 36.7 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 86% | 0.857 | 83% | 0.828 | S | S | * | * | | | trans | -85.9 | 164.2 | -168.6 | 35.1 | -37.1 | 0 | 0 | 0 | 114.6 | | |
| 51 | V | 33.8 | Very low | 35.8 | Very low | 143 Ų | 143 | 149.6 Ų | 149.6 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | | | trans | -127.6 | 136.8 | 171 | 179 | 0 | 0 | 0 | 0 | 110.3 | | |
| 52 | L | 32.9 | Very low | 35.7 | Very low | 161 Ų | 161 | 147.1 Ų | 147.1 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | | | trans | -123.4 | 176.2 | 171.1 | -87.4 | 160.4 | 0 | 0 | 0 | 107.1 | | |
| 53 | P | 52 | Low | 35.7 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 72% | 0.721 | 83% | 0.828 | S | S | * | * | | | cis | -119.5 | -132.2 | -11.9 | 39.2 | -19.7 | 0 | 0 | 0 | 108 | | |
| 54 | P | 50.8 | Low | 35.7 | Very low | 119 Ų | 119 | 155.4 Ų | 155.4 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | | | cis | -118.9 | -175.2 | -32.6 | 37.8 | -21 | 0 | 0 | 0 | 112.1 | | |
| 55 | G | 29.6 | Very low | 35.7 | Very low | 70 Ų | 70 | 155.2 Ų | 155.2 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | | | cis | 131 | 107.1 | -5.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 56 | R | 33.3 | Very low | 35.6 | Very low | 248 Ų | 248 | 153.1 Ų | 153.1 | 94% | 0.936 | 83% | 0.833 | S | S | * | * | | | trans | -164.1 | 150.5 | 166.4 | -91.9 | 159.4 | -164.4 | -110.5 | 0.7 | 107.5 | | |
| 57 | R | 31.4 | Very low | 35.3 | Very low | 217 Ų | 217 | 148.9 Ų | 148.9 | 82% | 0.819 | 83% | 0.83 | S | S | * | * | | | cis | 144.7 | 130.4 | -19.4 | -113 | -161.9 | -178.5 | -104.7 | 12.4 | 107.2 | | |
| 58 | R | 32.3 | Very low | 35.1 | Very low | 236 Ų | 236 | 140.7 Ų | 140.7 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | | | trans | 73.9 | 147.7 | 172.8 | -55.5 | -179.7 | 176.5 | -158.5 | -1.6 | 115.5 | | |
| 59 | G | 32 | Very low | 35.1 | Very low | 75 Ų | 75 | 141.5 Ų | 141.5 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | | | cis | -163.2 | 169.8 | 0.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 60 | L | 36.3 | Very low | 35.2 | Very low | 169 Ų | 169 | 144 Ų | 144 | 89% | 0.885 | 83% | 0.827 | S | S | * | * | | | trans | -89.6 | 144.1 | -179.6 | -76.7 | 155.9 | 0 | 0 | 0 | 112 | | |
| 61 | C | 33.3 | Very low | 34.3 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 88% | 0.878 | 83% | 0.83 | S | S | * | * | | | trans | -134.5 | 139.6 | 163.9 | -69.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 62 | V | 33.9 | Very low | 34.3 | Very low | 128 Ų | 128 | 139 Ų | 139 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | | | trans | -126.7 | 138.1 | -173.2 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 63 | R | 31.7 | Very low | 34.3 | Very low | 244 Ų | 244 | 136.4 Ų | 136.4 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | | | trans | -173.2 | 127.2 | 159 | -105.3 | 162.8 | 135.7 | -161.6 | -6.7 | 107.3 | | |
| 64 | R | 31 | Very low | 33.6 | Very low | 241 Ų | 241 | 135.1 Ų | 135.1 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | | | cis | 88.5 | 87 | 22.7 | -164.8 | -168.5 | 169.8 | -166.2 | -4.2 | 116.1 | | |
| 65 | A | 32.9 | Very low | 32.9 | Very low | 87 Ų | 87 | 135.4 Ų | 135.4 | 72% | 0.719 | 84% | 0.835 | S | S | * | * | | | trans | 178.7 | 137 | 141.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 66 | S | 33.6 | Very low | 32.9 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | | | cis | 72.1 | 122.5 | 35.3 | 75.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 67 | G | 30 | Very low | 32.9 | Very low | 81 Ų | 81 | 129 Ų | 129 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | | | cis | 173.4 | -176 | -1.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 68 | G | 31 | Very low | 32.8 | Very low | 71 Ų | 71 | 122.4 Ų | 122.4 | 73% | 0.732 | 84% | 0.835 | S | S | * | * | | | trans | 97.5 | 139.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 69 | S | 33.3 | Very low | 33.7 | Very low | 123 Ų | 123 | 117.5 Ų | 117.5 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | | | cis | 77.6 | 135.4 | 28.5 | -54.9 | 0 | 0 | 0 | 0 | 114 | | |
| 70 | S | 34.4 | Very low | 33.7 | Very low | 119 Ų | 119 | 117.3 Ų | 117.3 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | | | cis | -171.3 | 160.7 | 2.5 | 42.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 71 | G | 31.3 | Very low | 33.7 | Very low | 89 Ų | 89 | 115 Ų | 115 | 92% | 0.918 | 83% | 0.825 | S | S | * | * | | | trans | 83.3 | 167 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 72 | G | 32.3 | Very low | 33.8 | Very low | 81 Ų | 81 | 116 Ų | 116 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | | | cis | 176.7 | 160.9 | -3.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 73 | A | 34.8 | Very low | 33.9 | Very low | 107 Ų | 107 | 118.1 Ų | 118.1 | 88% | 0.884 | 82% | 0.818 | S | S | * | * | | | trans | -98.6 | 177.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 74 | A | 36.9 | Very low | 33.9 | Very low | 85 Ų | 85 | 109.3 Ų | 109.3 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | | | cis | -163.9 | -178.9 | 14.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 75 | S | 36 | Very low | 34.2 | Very low | 125 Ų | 125 | 103.6 Ų | 103.6 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | 82.8 | 132.5 | 145.4 | -58.7 | 0 | 0 | 0 | 0 | 124.1 | | |
| 76 | G | 29.5 | Very low | 35.1 | Very low | 80 Ų | 80 | 105.6 Ų | 105.6 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | 100 | 162.2 | 149.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 77 | A | 32.4 | Very low | 35.1 | Very low | 103 Ų | 103 | 102.9 Ų | 102.9 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | | | cis | -171.9 | 116.6 | -27.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 78 | G | 30.3 | Very low | 35.1 | Very low | 79 Ų | 79 | 111.6 Ų | 111.6 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | | | trans | 62.8 | -174.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 79 | P | 50.6 | Low | 35.2 | Very low | 132 Ų | 132 | 114.4 Ų | 114.4 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | | | cis | -137.4 | 165.5 | -14.9 | 41.4 | -25.6 | 0 | 0 | 0 | 116.4 | | |
| 80 | G | 32.4 | Very low | 35.2 | Very low | 72 Ų | 72 | 117.6 Ų | 117.6 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | | | trans | 81.5 | 161.2 | 154.1 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 81 | T | 35.2 | Very low | 35.1 | Very low | 120 Ų | 120 | 116.8 Ų | 116.8 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | | | cis | -160.5 | 149.5 | -7.9 | -29.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 82 | Q | 36.8 | Very low | 35.1 | Very low | 150 Ų | 150 | 115.6 Ų | 115.6 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | | | trans | 65.5 | 166.1 | 175.1 | -41.5 | -58.8 | -9 | 0 | 0 | 114.1 | | |
| 83 | Q | 35.5 | Very low | 35.3 | Very low | 174 Ų | 174 | 116 Ų | 116 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | cis | -157.4 | 173.1 | -28.1 | -112.4 | 171 | 44.9 | 0 | 0 | 107 | | |
| 84 | G | 31.7 | Very low | 35.3 | Very low | 59 Ų | 59 | 119 Ų | 119 | 61% | 0.608 | 80% | 0.799 | S | S | * | * | | | cis | -180 | -179.6 | 2.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 85 | S | 37.3 | Very low | 35.5 | Very low | 120 Ų | 120 | 118.9 Ų | 118.9 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | | | trans | -159.9 | 163.1 | 178.1 | -62 | 0 | 0 | 0 | 0 | 111.7 | | |
| 86 | P | 52 | Low | 35.6 | Very low | 129 Ų | 129 | 117.6 Ų | 117.6 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | | -134.3 | 161.3 | 102.9 | 38.8 | -30.4 | 0 | 0 | 0 | 112.6 | | |
| 87 | G | 33.1 | Very low | 36.2 | Very low | 61 Ų | 61 | 118.6 Ų | 118.6 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | | | cis | 113.3 | 127.1 | 2.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 88 | W | 30.5 | Very low | 36.3 | Very low | 265 Ų | 265 | 124.1 Ų | 124.1 | 100% | 1.004 | 81% | 0.805 | S | S | * | * | | | trans | -153.4 | 159 | 160.4 | -98.8 | 9.1 | 0 | 0 | 0 | 109.2 | | |
| 89 | S | 33.7 | Very low | 37 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | | | trans | -109.3 | 168.4 | -145.8 | -55.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 90 | Q | 33 | Very low | 37 | Very low | 189 Ų | 189 | 124.6 Ų | 124.6 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | | | trans | -101.4 | 144.1 | -173 | 178.8 | -175.9 | 11.2 | 0 | 0 | 113.5 | | |
| 91 | A | 31.8 | Very low | 37.9 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | -151.4 | 152.6 | 147.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 92 | G | 32.2 | Very low | 38.5 | Very low | 65 Ų | 65 | 126.3 Ų | 126.3 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | | | cis | 162.2 | 148.5 | -4.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 93 | A | 36.2 | Very low | 38.9 | Very low | 90 Ų | 90 | 126.1 Ų | 126.1 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | | | trans | 75.3 | 135.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 94 | D | 34 | Very low | 39.1 | Very low | 168 Ų | 168 | 123.2 Ų | 123.2 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | | | trans | 60.6 | 145.2 | 148.1 | -52.1 | -25 | 0 | 0 | 0 | 122.3 | | |
| 95 | G | 41.3 | Very low | 39.8 | Very low | 83 Ų | 83 | 126.6 Ų | 126.6 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | | | trans | -126.3 | 148.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 96 | A | 37.9 | Very low | 39.7 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -138.9 | 138.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 97 | A | 41.7 | Very low | 38.9 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | | | trans | -73.8 | 126.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 98 | Y | 36 | Very low | 38.9 | Very low | 219 Ų | 219 | 136.8 Ų | 136.8 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | | | trans | -95.1 | 111.1 | -175.8 | -156.8 | -89.3 | 0 | 0 | 0 | 111.8 | | |
| 99 | T | 43.4 | Very low | 39.1 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | | | trans | -108.2 | 131.4 | 177.9 | -53.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 100 | P | 50.8 | Low | 39.8 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 69% | 0.688 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 142 | -178.8 | 28.5 | -34.7 | 0 | 0 | 0 | 112.2 | | |
| 101 | P | 52 | Low | 39.7 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 149 | -177.5 | 32.3 | -35.6 | 0 | 0 | 0 | 113.1 | | |
| 102 | P | 48.2 | Very low | 39.8 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 149.4 | 172.8 | 33.6 | -34.4 | 0 | 0 | 0 | 112.1 | | |
| 103 | V | 45.7 | Very low | 40 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | | | trans | -113.9 | 127.1 | 170.3 | -72.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 104 | S | 38.4 | Very low | 39.7 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | | | trans | -92.7 | 136.9 | -173.6 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | R106 | S104-R106 PolarHBondContact O-N 3Š|
| 105 | P | 47.4 | Very low | 39.7 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | | | trans | -76.3 | 117.7 | 172.8 | 30.5 | -32.6 | 0 | 0 | 0 | 111.1 | | |
| 106 | R | 34.9 | Very low | 39.4 | Very low | 229 Ų | 229 | 133.7 Ų | 133.7 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | -85.5 | 115.8 | 160.5 | -87.6 | -171.1 | 171.1 | -164.8 | -1.3 | 109.2 | S104 | S104-R106 PolarHBondContact O-N 3Š|
| 107 | F | 33.8 | Very low | 39.1 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | | | | 168.2 | 130.9 | 123.7 | -88.8 | -62.8 | 0 | 0 | 0 | 108.8 | | |
| 108 | S | 33.1 | Very low | 38.8 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | -144.8 | 135.7 | 177.1 | -55.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 109 | F | 34.8 | Very low | 38.7 | Very low | 188 Ų | 188 | 128.3 Ų | 128.3 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | trans | -121 | 151.2 | 169.6 | -76.4 | -80.6 | 0 | 0 | 0 | 109.3 | | |
| 110 | P | 48.2 | Very low | 38.2 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | | | trans | -77.8 | 153.1 | -167.7 | -11.8 | 29.3 | 0 | 0 | 0 | 112.5 | | |
| 111 | G | 31.8 | Very low | 37.3 | Very low | 80 Ų | 80 | 128.1 Ų | 128.1 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | -90.7 | 150.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 112 | T | 33.2 | Very low | 36.3 | Very low | 140 Ų | 140 | 128 Ų | 128 | 86% | 0.859 | 84% | 0.835 | S | S | * | * | | | trans | -124.6 | 143.1 | 168.7 | -48.4 | 0 | 0 | 0 | 0 | 109 | | |
| 113 | T | 37.3 | Very low | 35.5 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 87% | 0.865 | 84% | 0.839 | S | S | * | * | | | trans | -78.1 | 144.8 | -174.6 | 50.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 114 | G | 30.7 | Very low | 34.8 | Very low | 71 Ų | 71 | 124.8 Ų | 124.8 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | | | trans | 178.3 | 109.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 115 | S | 33.8 | Very low | 34.5 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | | | trans | 23.3 | 119 | 149.2 | -53.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 116 | L | 34.8 | Very low | 33.8 | Very low | 168 Ų | 168 | 129.5 Ų | 129.5 | 88% | 0.88 | 84% | 0.84 | S | S | * | * | | | | 172.8 | 78.5 | 109 | -90.5 | 170.5 | 0 | 0 | 0 | 111.7 | | |
| 117 | A | 31.8 | Very low | 33.7 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 92% | 0.917 | 84% | 0.843 | S | S | * | * | | | trans | -107.1 | 75.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 118 | A | 34.1 | Very low | 33.5 | Very low | 93 Ų | 93 | 124.1 Ų | 124.1 | 77% | 0.769 | 84% | 0.843 | S | S | * | * | | | trans | -149.6 | 45.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 119 | A | 35.4 | Very low | 33.4 | Very low | 103 Ų | 103 | 123.8 Ų | 123.8 | 85% | 0.851 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -154 | 153 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 120 | A | 33.1 | Very low | 33.1 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 91% | 0.909 | 85% | 0.845 | S | S | * | * | S | Bend | trans | 76.6 | 54.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 121 | A | 31.6 | Very low | 32.2 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 88% | 0.876 | 85% | 0.848 | S | S | * | * | | | trans | -151.9 | 48.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 122 | A | 30.8 | Very low | 32.3 | Very low | 104 Ų | 104 | 125 Ų | 125 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | | | trans | -152.1 | 82 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 123 | A | 31.5 | Very low | 32.3 | Very low | 106 Ų | 106 | 124 Ų | 124 | 88% | 0.876 | 84% | 0.841 | S | S | * | * | | | trans | -161.4 | 45.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 124 | A | 31.1 | Very low | 32 | Very low | 94 Ų | 94 | 121.4 Ų | 121.4 | 78% | 0.777 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -156.6 | 117.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 125 | A | 31.7 | Very low | 31.9 | Very low | 102 Ų | 102 | 122 Ų | 122 | 84% | 0.843 | 85% | 0.848 | S | S | * | * | | | trans | 60.4 | 144.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 126 | R | 33.1 | Very low | 31.8 | Very low | 240 Ų | 240 | 120.3 Ų | 120.3 | 91% | 0.906 | 85% | 0.849 | S | S | * | * | | | cis | -145.5 | 152.2 | 26.2 | -52.5 | 173.2 | 179.1 | -169.1 | -1.8 | 110.6 | | |
| 127 | E | 31.6 | Very low | 31.6 | Very low | 200 Ų | 200 | 117.2 Ų | 117.2 | 94% | 0.935 | 85% | 0.847 | S | S | * | * | | | trans | -156.8 | 113 | 150 | -143.9 | 169.7 | -164.9 | 0 | 0 | 111.4 | | |
| 128 | A | 29.8 | Very low | 31.6 | Very low | 96 Ų | 96 | 117.1 Ų | 117.1 | 79% | 0.793 | 85% | 0.847 | S | S | * | * | | | trans | -171.6 | 116.7 | 168 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 129 | A | 30.9 | Very low | 31.4 | Very low | 108 Ų | 108 | 116 Ų | 116 | 89% | 0.893 | 84% | 0.844 | S | S | * | * | | | trans | 62.5 | 142.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 130 | A | 29.8 | Very low | 31.3 | Very low | 94 Ų | 94 | 116.5 Ų | 116.5 | 78% | 0.777 | 85% | 0.848 | S | S | * | * | | | cis | -156.7 | 156.7 | 2.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 131 | Y | 29.1 | Very low | 31.2 | Very low | 226 Ų | 226 | 114.5 Ų | 114.5 | 89% | 0.886 | 84% | 0.839 | S | S | * | * | | | trans | -146.9 | 163.3 | 136.2 | 72.3 | -88.6 | 0 | 0 | 0 | 109.4 | | |
| 132 | S | 32.7 | Very low | 31.4 | Very low | 100 Ų | 100 | 118.3 Ų | 118.3 | 70% | 0.699 | 84% | 0.843 | S | S | * | * | | | trans | -121.9 | 173.6 | -173 | -62.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 133 | S | 34.2 | Very low | 31.5 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 82% | 0.818 | 84% | 0.843 | S | S | * | * | | | trans | 93.8 | 86.7 | 155 | -50.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 134 | G | 29.5 | Very low | 31.5 | Very low | 87 Ų | 87 | 116.6 Ų | 116.6 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | | | | 71.7 | 139.3 | 117.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 135 | G | 29.8 | Very low | 31.5 | Very low | 83 Ų | 83 | 123.1 Ų | 123.1 | 86% | 0.856 | 84% | 0.841 | S | S | * | * | | | trans | 148.8 | 100.6 | 156.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 136 | G | 30.4 | Very low | 31.7 | Very low | 79 Ų | 79 | 126.2 Ų | 126.2 | 81% | 0.814 | 84% | 0.838 | S | S | * | * | | | trans | 57.5 | 98.2 | 130.2 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 137 | A | 30.8 | Very low | 31.7 | Very low | 102 Ų | 102 | 121.3 Ų | 121.3 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | | | | 57.3 | 151 | 122.7 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 138 | A | 32.5 | Very low | 31.7 | Very low | 110 Ų | 110 | 121.7 Ų | 121.7 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | trans | 68.2 | 148.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 139 | G | 30 | Very low | 31.7 | Very low | 69 Ų | 69 | 121 Ų | 121 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | | | cis | 176.2 | 150.4 | -8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 140 | A | 32.3 | Very low | 31.8 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 93% | 0.934 | 82% | 0.822 | S | S | * | * | | | trans | 61.1 | 154.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 141 | G | 31.2 | Very low | 31.9 | Very low | 69 Ų | 69 | 128 Ų | 128 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | | | cis | 140.9 | 116.2 | -13.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 142 | L | 35.5 | Very low | 32.1 | Very low | 185 Ų | 185 | 121.3 Ų | 121.3 | 97% | 0.969 | 83% | 0.827 | S | S | * | * | | | trans | 179.9 | 163.4 | 139.2 | -97.1 | 167.9 | 0 | 0 | 0 | 111.1 | | |
| 143 | A | 34.6 | Very low | 32 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | | | trans | -88.5 | 167.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 144 | G | 30 | Very low | 32.2 | Very low | 72 Ų | 72 | 124.8 Ų | 124.8 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | | | cis | 165 | -155 | 0.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 145 | R | 32.1 | Very low | 32.2 | Very low | 230 Ų | 230 | 123.7 Ų | 123.7 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | | | trans | 85.4 | 94.5 | 170.6 | -157.5 | 176 | -165.9 | 166 | 3.9 | 118.7 | | |
| 146 | E | 35.5 | Very low | 32.9 | Very low | 168 Ų | 168 | 125.8 Ų | 125.8 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | | | | 42.6 | 136.4 | 119.7 | -69 | -178.5 | 143.1 | 0 | 0 | 120.9 | | |
| 147 | Q | 33.6 | Very low | 33 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 64% | 0.636 | 82% | 0.824 | S | S | * | * | | | cis | -163.4 | 173.8 | 7.8 | -167.6 | 175.6 | 9.5 | 0 | 0 | 111.3 | | |
| 148 | Y | 31.5 | Very low | 33.6 | Very low | 209 Ų | 209 | 133 Ų | 133 | 82% | 0.82 | 82% | 0.824 | S | S | * | * | | | trans | 80.7 | 113.6 | 167.8 | -59.2 | -82 | 0 | 0 | 0 | 118.6 | | |
| 149 | G | 30.2 | Very low | 33.5 | Very low | 80 Ų | 80 | 132.8 Ų | 132.8 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | trans | 162.2 | 77 | 162.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 150 | R | 31.5 | Very low | 34.6 | Very low | 243 Ų | 243 | 135 Ų | 135 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | | | trans | 64.4 | 93.6 | 145.2 | -161.7 | 177.7 | -167.4 | -131 | 3.8 | 120.5 | | |
| 151 | A | 33.7 | Very low | 34.5 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | | | trans | 56.2 | 116 | 134.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 152 | G | 32.4 | Very low | 35.2 | Very low | 86 Ų | 86 | 142.6 Ų | 142.6 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | | | trans | -177.5 | 75 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 153 | F | 31.6 | Very low | 35.5 | Very low | 195 Ų | 195 | 138.6 Ų | 138.6 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | | | trans | -117.2 | 125.7 | 171.4 | -169.3 | -93.5 | 0 | 0 | 0 | 110.6 | G155 | F153-G155 PolarHBondContact O-N 2.89Š|
| 154 | A | 37.2 | Very low | 36.5 | Very low | 96 Ų | 96 | 143 Ų | 143 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | | | trans | -84.2 | 103.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 155 | G | 29.9 | Very low | 37.5 | Very low | 63 Ų | 63 | 146.3 Ų | 146.3 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | | | trans | -105.3 | 101.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | F153 Y157 | F153-G155 PolarHBondContact O-N 2.89Å; G155-Y157 PolarHBondContact O-N 3.02Å |
| 156 | S | 43.4 | Very low | 38.3 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | -69.3 | 117.9 | 171.3 | -62.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 157 | Y | 33.2 | Very low | 39 | Very low | 213 Ų | 213 | 138.2 Ų | 138.2 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | -130.6 | 115 | 170.2 | -153.8 | -86.4 | 0 | 0 | 0 | 110.2 | G155 | G155-Y157 PolarHBondContact O-N 3.02Š|
| 158 | S | 43.6 | Very low | 39.8 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | -77.5 | 129.7 | 174.2 | -61.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 159 | S | 31.5 | Very low | 40.6 | Very low | 105 Ų | 105 | 131.3 Ų | 131.3 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -145.5 | 135.7 | 168.9 | -166.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 160 | P | 51.7 | Low | 41.6 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | | | trans | -100.8 | 116.5 | -163 | 35.7 | -31.4 | 0 | 0 | 0 | 113.6 | | |
| 161 | Y | 31.7 | Very low | 42.7 | Very low | 226 Ų | 226 | 124.6 Ų | 124.6 | 89% | 0.886 | 78% | 0.779 | S | S | * | * | | | trans | -152.3 | 133.2 | 154.6 | -128.3 | -90.8 | 0 | 0 | 0 | 110.6 | | |
| 162 | P | 45.5 | Very low | 43.2 | Very low | 114 Ų | 114 | 130 Ų | 130 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | | | trans | -77.2 | 135.1 | -174.3 | 29.5 | -34.9 | 0 | 0 | 0 | 112.8 | Y164 | P162-Y164 PolarHBondContact O-N 2.92Å; P162-Y164 VanDerWaalsContact O-N 3.11Å |
| 163 | A | 42.1 | Very low | 43.9 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | | | trans | -78.3 | 90.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 164 | Y | 54.3 | Low | 44.6 | Very low | 197 Ų | 197 | 123.9 Ų | 123.9 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | trans | -72.5 | 147 | 164.5 | 136.3 | -81.4 | 0 | 0 | 0 | 110.2 | P162 | P162-Y164 PolarHBondContact O-N 2.92Å; P162-Y164 VanDerWaalsContact O-N 3.11Å |
| 165 | M | 52.3 | Low | 45 | Very low | 141 Ų | 141 | 123.8 Ų | 123.8 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | | | trans | 72.2 | 81.1 | -172.4 | -65.1 | -68.7 | -174.5 | 0 | 0 | 116.3 | | |
| 166 | A | 48.5 | Very low | 45.7 | Very low | 99 Ų | 99 | 125.2 Ų | 125.2 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -139.8 | 18.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 167 | D | 48.8 | Very low | 45.7 | Very low | 129 Ų | 129 | 123.4 Ų | 123.4 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | | | trans | -146.6 | 93.8 | 179.6 | -154.8 | -11 | 0 | 0 | 0 | 114.8 | | |
| 168 | V | 52.3 | Low | 46 | Very low | 144 Ų | 144 | 117.8 Ų | 117.8 | 87% | 0.873 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -155.6 | 42 | 158.6 | -89.7 | 0 | 0 | 0 | 0 | 109 | | |
| 169 | G | 48.4 | Very low | 45.8 | Very low | 56 Ų | 56 | 117.5 Ų | 117.5 | 58% | 0.577 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -126 | -26.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 170 | A | 50.6 | Low | 46.4 | Very low | 70 Ų | 70 | 117.3 Ų | 117.3 | 58% | 0.579 | 75% | 0.752 | S | S | * | * | | | trans | -89.9 | -10.8 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | W172 | A170-W172 VanDerWaalsContact C-N 3.28Å; A170-W172 PolarHBondContact O-N 3.04Å |
| 171 | S | 53.6 | Low | 45.5 | Very low | 112 Ų | 112 | 114.9 Ų | 114.9 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 6.7 | -160 | -41.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 172 | W | 44.7 | Very low | 46.4 | Very low | 220 Ų | 220 | 109.6 Ų | 109.6 | 83% | 0.833 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | -13.3 | 179.7 | 73 | -85.3 | 0 | 0 | 0 | 114.9 | A170 | A170-W172 VanDerWaalsContact C-N 3.28Å; A170-W172 PolarHBondContact O-N 3.04Å |
| 173 | A | 47.3 | Very low | 45.9 | Very low | 74 Ų | 74 | 113.9 Ų | 113.9 | 61% | 0.612 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -22.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 174 | A | 45.5 | Very low | 45.7 | Very low | 78 Ų | 78 | 116.7 Ų | 116.7 | 65% | 0.645 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -82.3 | -13.5 | -172 | 0 | 0 | 0 | 0 | 0 | 115.1 | A176 | A174-A176 VanDerWaalsContact C-N 3.34Å; A174-A176 PolarHBondContact O-N 2.95Å |
| 175 | A | 46.7 | Very low | 44.8 | Very low | 94 Ų | 94 | 112.9 Ų | 112.9 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -78.2 | -11.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 176 | A | 43.3 | Very low | 45.1 | Very low | 93 Ų | 93 | 111.7 Ų | 111.7 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -96.7 | -6.6 | -173 | 0 | 0 | 0 | 0 | 0 | 114.9 | A174 | A174-A176 VanDerWaalsContact C-N 3.34Å; A174-A176 PolarHBondContact O-N 2.95Å |
| 177 | A | 43.7 | Very low | 44.6 | Very low | 89 Ų | 89 | 113.3 Ų | 113.3 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -113.4 | -0.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 178 | A | 40.3 | Very low | 44.4 | Very low | 94 Ų | 94 | 113.5 Ų | 113.5 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | | | trans | -101.7 | 30.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 179 | S | 39.8 | Very low | 43.7 | Very low | 115 Ų | 115 | 114.3 Ų | 114.3 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | -123 | 39.2 | -178.7 | 63.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 180 | A | 43.2 | Very low | 43.1 | Very low | 101 Ų | 101 | 116.9 Ų | 116.9 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | | | trans | -142 | 99.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 181 | G | 32.9 | Very low | 42.4 | Very low | 66 Ų | 66 | 121.5 Ų | 121.5 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | | | trans | -154.3 | 145.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 182 | P | 51.4 | Low | 41.9 | Very low | 114 Ų | 114 | 122 Ų | 122 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | | | trans | -123.1 | 123.2 | -142.4 | 33.9 | -17.2 | 0 | 0 | 0 | 114.6 | | |
| 183 | F | 34.4 | Very low | 41.3 | Very low | 205 Ų | 205 | 114.8 Ų | 114.8 | 90% | 0.899 | 77% | 0.766 | S | S | * | * | | | trans | -144.5 | 130.1 | 169.9 | -57.1 | -76.2 | 0 | 0 | 0 | 110.7 | | |
| 184 | D | 37.6 | Very low | 40.8 | Very low | 159 Ų | 159 | 123.2 Ų | 123.2 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | | | trans | -76.1 | 139.4 | -175.1 | -70.3 | -101 | 0 | 0 | 0 | 114.7 | | |
| 185 | S | 36.3 | Very low | 40.3 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | | -167.2 | 148 | 117.8 | -83.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 186 | P | 57.8 | Low | 40.4 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | trans | -98 | 160.2 | -174.5 | 38.2 | -35.8 | 0 | 0 | 0 | 113.7 | | |
| 187 | V | 38.8 | Very low | 40.5 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | | | | -167.6 | 127.6 | 126.5 | 140 | 0 | 0 | 0 | 0 | 109.8 | | |
| 188 | L | 43.7 | Very low | 40.8 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | | | trans | 12.7 | 135 | 153.9 | -43.2 | 176.1 | 0 | 0 | 0 | 118.7 | | |
| 189 | H | 38.3 | Very low | 40.9 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | | | cis | -153 | 145.8 | 44.4 | -88.4 | -84.7 | 0 | 0 | 0 | 116.1 | | |
| 190 | S | 34.5 | Very low | 41.4 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | trans | 53.7 | 119.7 | 138.2 | -52.5 | 0 | 0 | 0 | 0 | 122.6 | | |
| 191 | L | 35.5 | Very low | 41.3 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | | | trans | -72.5 | 175.6 | 162.5 | -67.5 | 172.2 | 0 | 0 | 0 | 111.9 | | |
| 192 | P | 44.8 | Very low | 42.2 | Very low | 122 Ų | 122 | 140 Ų | 140 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | | | cis | -140.8 | 161.7 | 12.8 | 41.7 | -23.3 | 0 | 0 | 0 | 119.1 | | |
| 193 | G | 31.2 | Very low | 41.7 | Very low | 69 Ų | 69 | 138.7 Ų | 138.7 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | | 90.8 | 99.2 | 116.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 194 | R | 36.4 | Very low | 42.4 | Very low | 251 Ų | 251 | 136.2 Ų | 136.2 | 95% | 0.947 | 78% | 0.779 | S | S | * | * | | | trans | 63.6 | 99.7 | 131.1 | -170.6 | -170.9 | -173.2 | 171 | 2.8 | 119.7 | | |
| 195 | A | 35.7 | Very low | 42.7 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | | | trans | -159.4 | 145.6 | 131.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 196 | N | 48.6 | Very low | 43.3 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | | | trans | -103.2 | 122.3 | 170.6 | 170 | 36.5 | 0 | 0 | 0 | 109.6 | A198 | N196-A198 PolarHBondContact O-N 3.01Å; N196-A198 VanDerWaalsContact O-N 3.13Å |
| 197 | P | 45.1 | Very low | 42.5 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | trans | -87.2 | 70.1 | 179.5 | 35.5 | -34.7 | 0 | 0 | 0 | 112.4 | A199 | P197-A199 PolarHBondContact O-N 2.85Š|
| 198 | A | 49.8 | Very low | 43 | Very low | 91 Ų | 91 | 137.3 Ų | 137.3 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | | | trans | -76.2 | 70.8 | 168 | 0 | 0 | 0 | 0 | 0 | 111.1 | N196 | N196-A198 PolarHBondContact O-N 3.01Å; N196-A198 VanDerWaalsContact O-N 3.13Å |
| 199 | A | 43.6 | Very low | 43.1 | Very low | 74 Ų | 74 | 136.6 Ų | 136.6 | 61% | 0.612 | 75% | 0.751 | S | S | * | * | | | trans | -138.8 | 94.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P197 | P197-A199 PolarHBondContact O-N 2.85Š|
| 200 | R | 49.2 | Very low | 43.4 | Very low | 243 Ų | 243 | 136.7 Ų | 136.7 | 92% | 0.917 | 75% | 0.75 | S | S | * | * | | | trans | 38 | 100.5 | 144.3 | -60.7 | 176.8 | 177.4 | 169.3 | -1.4 | 118.7 | | |
| 201 | H | 40.8 | Very low | 44.5 | Very low | 184 Ų | 184 | 134.5 Ų | 134.5 | 85% | 0.852 | 73% | 0.734 | S | S | * | * | | | trans | -115.2 | 114.2 | 146.9 | -82.9 | -90.1 | 0 | 0 | 0 | 110.1 | N203 | H201-N203 PolarHBondContact O-N 3.34Å; H201-N203 VanDerWaalsContact O-N 3.13Å |
| 202 | P | 53.3 | Low | 45.7 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | | | trans | -85.2 | 75.7 | 176.7 | 34.4 | -33.2 | 0 | 0 | 0 | 110.3 | | |
| 203 | N | 40.8 | Very low | 47.1 | Very low | 88 Ų | 88 | 126.2 Ų | 126.2 | 47% | 0.471 | 70% | 0.699 | S | S | . | * | | | trans | -152.7 | 82.4 | 170.7 | -161.9 | -14.6 | 0 | 0 | 0 | 112.3 | H201 M206 | H201-N203 PolarHBondContact O-N 3.34Å; H201-N203 VanDerWaalsContact O-N 3.13Å; N203-M206 WeakPolarHBondContact OD1-CB 3.45Å; N203-M206 PolarHBondContact OD1-N 3.49Å |
| 204 | L | 48.5 | Very low | 49.7 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 80% | 0.801 | 68% | 0.683 | S | S | * | * | | | trans | -90.7 | -23.2 | 167.8 | -74.1 | 168.1 | 0 | 0 | 0 | 111.7 | M206 F207 | L204-M206 VanDerWaalsContact C-N 3.26Å; L204-M206 PolarHBondContact O-N 3.19Å; L204-F207 PolarHBondContact O-N 2.98Å |
| 205 | D | 44.3 | Very low | 52.4 | Low | 142 Ų | 142 | 118.8 Ų | 118.8 | 76% | 0.759 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -29.8 | 178.8 | -59.9 | -102 | 0 | 0 | 0 | 113.7 | F207 | D205-F207 VanDerWaalsContact C-N 3.3Å; D205-F207 PolarHBondContact O-N 2.93Å |
| 206 | M | 47.9 | Very low | 55.1 | Low | 139 Ų | 139 | 114.1 Ų | 114.1 | 69% | 0.685 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -18.8 | 178.4 | -146.2 | 78.5 | 163.6 | 0 | 0 | 114.1 | N203 L204 | N203-M206 WeakPolarHBondContact OD1-CB 3.45Å; N203-M206 PolarHBondContact OD1-N 3.49Å; L204-M206 VanDerWaalsContact C-N 3.26Å; L204-M206 PolarHBondContact O-N 3.19Å |
| 207 | F | 42.3 | Very low | 57.2 | Low | 169 Ų | 169 | 111.7 Ų | 111.7 | 74% | 0.741 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -18.9 | -178.9 | -105.8 | -92.2 | 0 | 0 | 0 | 113.4 | L204 D205 D209 | L204-F207 PolarHBondContact O-N 2.98Å; D205-F207 VanDerWaalsContact C-N 3.3Å; D205-F207 PolarHBondContact O-N 2.93Å; F207-D209 PolarHBondContact O-N 3.03Å |
| 208 | D | 47.8 | Very low | 59.3 | Low | 97 Ų | 97 | 107.4 Ų | 107.4 | 52% | 0.519 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -3.8 | 178.3 | -153.4 | -136.9 | 0 | 0 | 0 | 113.2 | E212 | D208-E212 WeakPolarHBondContact O-CB 3.28Å; D208-E212 WeakPolarHBondContact O-CG 3.31Å |
| 209 | D | 46.4 | Very low | 61.1 | Low | 119 Ų | 119 | 104 Ų | 104 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -76.4 | -29.2 | 174.9 | -159.8 | -112.6 | 0 | 0 | 0 | 112.7 | F207 S211 E212 | F207-D209 PolarHBondContact O-N 3.03Å; D209-S211 PolarHBondContact O-N 3.08Å; D209-E212 WeakPolarHBondContact O-CB 3.38Å; D209-E212 PolarHBondContact O-N 3.44Å; D209-E212 VanDerWaalsContact O-N 3.1Å |
| 210 | F | 44.1 | Very low | 63.3 | Low | 164 Ų | 164 | 100.8 Ų | 100.8 | 72% | 0.719 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -75.7 | -21.8 | 178.2 | -82 | -90.3 | 0 | 0 | 0 | 113.7 | E212 R214 | F210-E212 VanDerWaalsContact C-N 3.28Å; F210-R214 PolarHBondContact O-NH2 3.06Å |
| 211 | S | 57.3 | Low | 65.1 | Low | 62 Ų | 62 | 90.5 Ų | 90.5 | 43% | 0.434 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.5 | -33.9 | 165.9 | -67 | 0 | 0 | 0 | 0 | 111.3 | D209 | D209-S211 PolarHBondContact O-N 3.08Å |
| 212 | E | 62.2 | Low | 67.5 | Low | 45 Ų | 45 | 83.7 Ų | 83.7 | 21% | 0.21 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -88.4 | -20.8 | -149.2 | -111.8 | 35.8 | -151.6 | 0 | 0 | 115.8 | D208 D209 F210 R214 M222 R264 | D208-E212 WeakPolarHBondContact O-CB 3.28Å; D208-E212 WeakPolarHBondContact O-CG 3.31Å; D209-E212 WeakPolarHBondContact O-CB 3.38Å; D209-E212 PolarHBondContact O-N 3.44Å; D209-E212 VanDerWaalsContact O-N 3.1Å; F210-E212 VanDerWaalsContact C-N 3.28Å; E212-R214 PolarHBondContact O-N 2.87Å; E212-M222 HydrophobicContact CG-CE 4.14Å; E212-M222 WeakPolarHBondContact OE1-CE 3.34Å; E212-R264 VanDerWaalsContact CG-NH1 3.32Å; E212-R264 IonicContact OE1-CZ 3.51Å; E212-R264 IonicContact OE1-NH1 2.72Å; E212-R264 IonicContact OE1-NH2 3.68Å; E212-R264 PolarHBondContact OE1-NH2 2.88Å |
| 213 | G | 73.8 | Confident | 69.1 | Low | 71 Ų | 71 | 82.2 Ų | 82.2 | 73% | 0.732 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -6.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 214 | R | 86.6 | Confident | 71.4 | Confident | 95 Ų | 95 | 79.6 Ų | 79.6 | 36% | 0.358 | 44% | 0.436 | S | S | . | . | | | trans | -107.9 | 94.6 | -174.7 | -78 | 171.1 | -80.5 | -145.8 | -3.9 | 112 | F210 E212 W227 Y235 | F210-R214 PolarHBondContact O-NH2 3.06Å; E212-R214 PolarHBondContact O-N 2.87Å; R214-W227 HydrophobicContact CB-CH2 4.2Å; R214-W227 HydrophobicContact CB-CZ2 3.75Å; R214-W227 WeakPolarHBondContact O-CH2 3.45Å; R214-W227 WeakPolarHBondContact O-CZ2 3.32Å; R214-Y235 HydrophobicContact CG-CD1 4.24Å; R214-Y235 HydrophobicContact CG-CD2 4.39Å; R214-Y235 HydrophobicContact CG-CE1 4.13Å; R214-Y235 HydrophobicContact CG-CE2 4.28Å; R214-Y235 HydrophobicContact CG-CG 4.37Å |
| 215 | E | 91.8 | Very high | 73.4 | Confident | 69 Ų | 69 | 78.3 Ų | 78.3 | 32% | 0.322 | 44% | 0.437 | S | S | . | . | | | trans | -105.6 | 143.3 | 164.3 | 65.3 | 171 | -165.2 | 0 | 0 | 112.3 | V217 A221 R259 | E215-V217 PolarHBondContact O-N 3.45Å; E215-A221 WeakPolarHBondContact CA-O 3.45Å; E215-R259 IonicContact OE1-CZ 2.8Å; E215-R259 IonicContact OE1-NH1 2.75Å; E215-R259 PolarHBondContact OE1-NH1 3.36Å; E215-R259 IonicContact OE1-NH2 2.68Å; E215-R259 PolarHBondContact OE1-NH2 3.27Å; E215-R259 IonicContact OE2-CZ 3.2Å; E215-R259 IonicContact OE2-NH1 2.83Å; E215-R259 PolarHBondContact OE2-NH1 3.17Å; E215-R259 IonicContact OE2-NH2 3.68Å |
| 216 | C | 92.9 | Very high | 75.7 | Confident | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.007 | 42% | 0.421 | C | S | . | . | | | trans | -67.4 | 119.1 | 173.7 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | N218 C219 G220 A221 W227 Y235 C237 | C216-N218 PolarHBondContact O-N 3.19Å; C216-N218 VanDerWaalsContact O-N 3.1Å; C216-C219 PolarHBondContact O-N 3.4Å; C216-G220 WeakPolarHBondContact O-CA 3.35Å; C216-G220 PolarHBondContact O-N 2.98Å; C216-A221 HydrophobicContact CB-CB 4.36Å; C216-A221 PolarHBondContact N-O 2.88Å; C216-W227 HydrophobicContact CB-CZ3 4.13Å; C216-Y235 WeakPolarHBondContact CA-O 3.33Å; C216-C237 HydrophobicContact CB-CB 3.89Å; C216-C237 PolarHBondContact SG-N 3.25Å; C216-C237 VanDerWaalsContact SG-SG 3.67Å |
| 217 | V | 91.8 | Very high | 77.9 | Confident | 86 Ų | 86 | 72.3 Ų | 72.3 | 52% | 0.521 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25.1 | -175.6 | -60.6 | 0 | 0 | 0 | 0 | 114.2 | E215 H234 Y235 L236 | E215-V217 PolarHBondContact O-N 3.45Å; V217-H234 HydrophobicContact CG1-CB 4.01Å; V217-H234 HydrophobicContact CG2-CB 3.86Å; V217-Y235 PolarHBondContact N-O 2.85Å; V217-L236 HydrophobicContact CG2-CD2 3.7Å; V217-L236 HydrophobicContact CG2-CG 4.5Å |
| 218 | N | 90 | Very high | 80.3 | Confident | 31 Ų | 31 | 68.9 Ų | 68.9 | 17% | 0.166 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -47.1 | 177.4 | 175.9 | -75.1 | 0 | 0 | 0 | 112.7 | C216 L236 C240 N250 R251 L253 | C216-N218 PolarHBondContact O-N 3.19Å; C216-N218 VanDerWaalsContact O-N 3.1Å; N218-L236 HydrophobicContact CB-CD2 3.86Å; N218-C240 HydrophobicContact CB-CB 4.05Å; N218-C240 PolarHBondContact OD1-SG 3.32Å; N218-C240 VanDerWaalsContact OD1-SG 3.32Å; N218-N250 WeakPolarHBondContact ND2-CB 3.41Å; N218-N250 PolarHBondContact ND2-OD1 2.72Å; N218-R251 PolarHBondContact ND2-N 3.3Å; N218-R251 VanDerWaalsContact ND2-N 3.14Å; N218-L253 WeakPolarHBondContact OD1-CD1 3.37Å |
| 219 | C | 88.8 | Confident | 82.5 | Confident | 18 Ų | 18 | 71.5 Ų | 71.5 | 12% | 0.122 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 4 | -167.8 | 78.1 | 0 | 0 | 0 | 0 | 116 | C216 A221 C237 L253 Q257 | C216-C219 PolarHBondContact O-N 3.4Å; C219-A221 PolarHBondContact O-N 3.33Å; C219-A221 VanDerWaalsContact SG-CB 3.6Å; C219-C237 PolarHBondContact SG-SG 2.83Å; C219-L253 HydrophobicContact CB-CD1 3.95Å; C219-L253 HydrophobicContact CB-CD2 4.06Å; C219-L253 HydrophobicContact CB-CG 4.43Å; C219-Q257 VanDerWaalsContact O-CD 3.25Å; C219-Q257 WeakPolarHBondContact O-CG 3.47Å; C219-Q257 PolarHBondContact O-NE2 2.86Å |
| 220 | G | 88.3 | Confident | 84.5 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 7% | 0.072 | 37% | 0.367 | C | S | . | . | | | trans | 54.7 | 26.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | C216 Q257 | C216-G220 WeakPolarHBondContact O-CA 3.35Å; C216-G220 PolarHBondContact O-N 2.98Å; G220-Q257 VanDerWaalsContact C-NE2 3.29Å; G220-Q257 VanDerWaalsContact CA-NE2 3.33Å; G220-Q257 PolarHBondContact O-NE2 3.4Å |
| 221 | A | 88.6 | Confident | 86.6 | Confident | 28 Ų | 28 | 64.4 Ų | 64.4 | 23% | 0.231 | 38% | 0.377 | C | S | . | . | | | trans | -74.3 | 132.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | E215 C216 C219 C237 | E215-A221 WeakPolarHBondContact CA-O 3.45Å; C216-A221 HydrophobicContact CB-CB 4.36Å; C216-A221 PolarHBondContact N-O 2.88Å; C219-A221 PolarHBondContact O-N 3.33Å; C219-A221 VanDerWaalsContact SG-CB 3.6Å; A221-C237 HydrophobicContact CB-CB 4.46Å |
| 222 | M | 89.3 | Confident | 88.2 | Confident | 40 Ų | 40 | 66.5 Ų | 66.5 | 20% | 0.197 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -95.2 | -22.5 | 179.5 | -60.1 | -174.1 | 65.3 | 0 | 0 | 112.4 | E212 W227 L260 | E212-M222 HydrophobicContact CG-CE 4.14Å; E212-M222 WeakPolarHBondContact OE1-CE 3.34Å; M222-W227 WeakPolarHBondContact O-CZ2 3.42Å; M222-L260 HydrophobicContact CB-CD1 4.46Å; M222-L260 HydrophobicContact CG-CD1 4.12Å; M222-L260 HydrophobicContact SD-CB 3.86Å; M222-L260 HydrophobicContact SD-CD1 4.18Å |
| 223 | S | 87.6 | Confident | 89.5 | Confident | 103 Ų | 103 | 65.9 Ų | 65.9 | 72% | 0.72 | 39% | 0.394 | S | S | * | . | | | trans | -116.5 | 147.9 | 171.7 | 60.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 224 | T | 89.9 | Confident | 90.4 | Very high | 33 Ų | 33 | 66.9 Ų | 66.9 | 20% | 0.202 | 38% | 0.379 | C | S | . | . | | | trans | -161.9 | 145.3 | 176 | -169.8 | 0 | 0 | 0 | 0 | 110 | L226 W227 C237 N238 | T224-L226 WeakPolarHBondContact CG2-O 3.39Å; T224-L226 PolarHBondContact O-N 2.96Å; T224-W227 HydrophobicContact CG2-CD2 3.44Å; T224-W227 VanDerWaalsContact CG2-CD2 3.44Å; T224-W227 HydrophobicContact CG2-CE3 3.79Å; T224-W227 HydrophobicContact CG2-CG 3.82Å; T224-W227 HydrophobicContact CG2-CH2 4.22Å; T224-W227 HydrophobicContact CG2-CZ2 3.92Å; T224-W227 HydrophobicContact CG2-CZ3 4.16Å; T224-C237 HydrophobicContact CG2-CB 4.13Å; T224-C237 WeakPolarHBondContact OG1-CB 3.37Å; T224-N238 PolarHBondContact OG1-N 3.33Å |
| 225 | P | 89.7 | Confident | 90.7 | Very high | 125 Ų | 125 | 66 Ų | 66 | 81% | 0.812 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -68.4 | -14.9 | 177.7 | 26.9 | -36.4 | 0 | 0 | 0 | 113.9 | N238 | P225-N238 HydrophobicContact CG-CB 4.46Š|
| 226 | L | 91.9 | Very high | 90.8 | Very high | 84 Ų | 84 | 63.1 Ų | 63.1 | 44% | 0.44 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -155 | 120.9 | 171.3 | 179.8 | 60.6 | 0 | 0 | 0 | 110.7 | T224 N238 | T224-L226 WeakPolarHBondContact CG2-O 3.39Å; T224-L226 PolarHBondContact O-N 2.96Å; L226-N238 HydrophobicContact CB-CB 4.16Å; L226-N238 WeakPolarHBondContact O-CA 3.18Å; L226-N238 WeakPolarHBondContact O-CB 3.28Å; L226-N238 PolarHBondContact O-N 2.85Å |
| 227 | W | 94.1 | Very high | 90.9 | Very high | 72 Ų | 72 | 63.4 Ų | 63.4 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 133.3 | 168.7 | -75.5 | 112.1 | 0 | 0 | 0 | 110.5 | R214 C216 M222 T224 | R214-W227 HydrophobicContact CB-CH2 4.2Å; R214-W227 HydrophobicContact CB-CZ2 3.75Å; R214-W227 WeakPolarHBondContact O-CH2 3.45Å; R214-W227 WeakPolarHBondContact O-CZ2 3.32Å; C216-W227 HydrophobicContact CB-CZ3 4.13Å; M222-W227 WeakPolarHBondContact O-CZ2 3.42Å; T224-W227 HydrophobicContact CG2-CD2 3.44Å; T224-W227 VanDerWaalsContact CG2-CD2 3.44Å; T224-W227 HydrophobicContact CG2-CE3 3.79Å; T224-W227 HydrophobicContact CG2-CG 3.82Å; T224-W227 HydrophobicContact CG2-CH2 4.22Å; T224-W227 HydrophobicContact CG2-CZ2 3.92Å; T224-W227 HydrophobicContact CG2-CZ3 4.16Å |
| 228 | R | 94.2 | Very high | 91.1 | Very high | 96 Ų | 96 | 61.4 Ų | 61.4 | 36% | 0.362 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 155.6 | 173.1 | -64.3 | -176.1 | 178.6 | -83.8 | -1.2 | 109.5 | L236 N238 | R228-L236 HydrophobicContact CB-CB 4.5Å; R228-L236 PolarHBondContact N-O 3.27Å; R228-L236 PolarHBondContact O-N 2.72Å; R228-N238 PolarHBondContact NE-OD1 2.94Å; R228-N238 PolarHBondContact NH2-OD1 3.26Å |
| 229 | R | 94.4 | Very high | 91.2 | Very high | 153 Ų | 153 | 62.1 Ų | 62.1 | 58% | 0.577 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 146.4 | 167 | -63.5 | -175.5 | -175.4 | -79.3 | 0.6 | 109.6 | G233 H234 Y235 | R229-G233 PolarHBondContact NH1-O 3.46Å; R229-H234 VanDerWaalsContact CA-O 3.31Å; R229-H234 WeakPolarHBondContact CA-O 3.49Å; R229-Y235 VanDerWaalsContact CZ-CE1 3.5Å; R229-Y235 VanDerWaalsContact NH1-CE1 3.26Å; R229-Y235 PolarHBondContact NH1-OH 3.14Å; R229-Y235 PolarHBondContact NH2-OH 2.84Å |
| 230 | D | 87.9 | Confident | 91.4 | Very high | 41 Ų | 41 | 61.4 Ų | 61.4 | 22% | 0.219 | 36% | 0.357 | C | S | . | . | | | trans | -81.5 | 175 | 161.7 | 68.6 | 19.4 | 0 | 0 | 0 | 111.2 | T232 G233 H234 L236 | D230-T232 PolarHBondContact O-N 2.97Å; D230-T232 VanDerWaalsContact OD1-CA 3.28Å; D230-T232 WeakPolarHBondContact OD1-CA 3.13Å; D230-T232 WeakPolarHBondContact OD1-CB 3.43Å; D230-T232 PolarHBondContact OD1-N 3.05Å; D230-T232 PolarHBondContact OD1-OG1 3.33Å; D230-T232 PolarHBondContact OD2-OG1 3.1Å; D230-G233 PolarHBondContact O-N 2.81Å; D230-G233 PolarHBondContact OD1-N 2.91Å; D230-H234 PolarHBondContact N-O 3.43Å; D230-H234 IonicContact OD1-CG 3.82Å; D230-H234 PolarHBondContact OD1-N 2.95Å; D230-H234 IonicContact OD1-ND1 3.34Å; D230-H234 PolarHBondContact OD1-ND1 2.95Å; D230-H234 WeakPolarHBondContact OD2-CB 3.41Å; D230-H234 IonicContact OD2-CG 3.53Å; D230-H234 IonicContact OD2-ND1 2.85Å; D230-H234 PolarHBondContact OD2-ND1 3.31Å; D230-L236 HydrophobicContact CB-CD1 4.08Å |
| 231 | G | 87.8 | Confident | 91.7 | Very high | 92 Ų | 92 | 61.6 Ų | 61.6 | 95% | 0.948 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 4.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 232 | T | 90 | Very high | 91.9 | Very high | 106 Ų | 106 | 64.6 Ų | 64.6 | 65% | 0.65 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | 4.7 | 175 | 38.7 | 0 | 0 | 0 | 0 | 112 | D230 H234 | D230-T232 PolarHBondContact O-N 2.97Å; D230-T232 VanDerWaalsContact OD1-CA 3.28Å; D230-T232 WeakPolarHBondContact OD1-CA 3.13Å; D230-T232 WeakPolarHBondContact OD1-CB 3.43Å; D230-T232 PolarHBondContact OD1-N 3.05Å; D230-T232 PolarHBondContact OD1-OG1 3.33Å; D230-T232 PolarHBondContact OD2-OG1 3.1Å; T232-H234 PolarHBondContact OG1-CE1 3.36Å; T232-H234 PolarHBondContact OG1-ND1 2.93Å; T232-H234 VanDerWaalsContact OG1-ND1 3.07Å |
| 233 | G | 89.4 | Confident | 92 | Very high | 33 Ų | 33 | 65.5 Ų | 65.5 | 34% | 0.34 | 37% | 0.372 | S | S | . | . | | | trans | 90 | -8.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | R229 D230 | R229-G233 PolarHBondContact NH1-O 3.46Å; D230-G233 PolarHBondContact O-N 2.81Å; D230-G233 PolarHBondContact OD1-N 2.91Å |
| 234 | H | 92.7 | Very high | 92.2 | Very high | 92 Ų | 92 | 64.2 Ų | 64.2 | 43% | 0.426 | 35% | 0.354 | S | S | . | . | | | trans | -65.6 | 144.2 | -176.1 | -52.5 | 110.7 | 0 | 0 | 0 | 112.4 | V217 R229 D230 T232 L236 | V217-H234 HydrophobicContact CG1-CB 4.01Å; V217-H234 HydrophobicContact CG2-CB 3.86Å; R229-H234 VanDerWaalsContact CA-O 3.31Å; R229-H234 WeakPolarHBondContact CA-O 3.49Å; D230-H234 PolarHBondContact N-O 3.43Å; D230-H234 IonicContact OD1-CG 3.82Å; D230-H234 PolarHBondContact OD1-N 2.95Å; D230-H234 IonicContact OD1-ND1 3.34Å; D230-H234 PolarHBondContact OD1-ND1 2.95Å; D230-H234 WeakPolarHBondContact OD2-CB 3.41Å; D230-H234 IonicContact OD2-CG 3.53Å; D230-H234 IonicContact OD2-ND1 2.85Å; D230-H234 PolarHBondContact OD2-ND1 3.31Å; T232-H234 PolarHBondContact OG1-CE1 3.36Å; T232-H234 PolarHBondContact OG1-ND1 2.93Å; T232-H234 VanDerWaalsContact OG1-ND1 3.07Å; H234-L236 PolarHBondContact O-N 3.11Å |
| 235 | Y | 94.1 | Very high | 92.2 | Very high | 77 Ų | 77 | 71.6 Ų | 71.6 | 30% | 0.302 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 125.7 | 176.1 | -63.4 | -76.8 | 0 | 0 | 0 | 111.8 | R214 C216 V217 R229 | R214-Y235 HydrophobicContact CG-CD1 4.24Å; R214-Y235 HydrophobicContact CG-CD2 4.39Å; R214-Y235 HydrophobicContact CG-CE1 4.13Å; R214-Y235 HydrophobicContact CG-CE2 4.28Å; R214-Y235 HydrophobicContact CG-CG 4.37Å; C216-Y235 WeakPolarHBondContact CA-O 3.33Å; V217-Y235 PolarHBondContact N-O 2.85Å; R229-Y235 VanDerWaalsContact CZ-CE1 3.5Å; R229-Y235 VanDerWaalsContact NH1-CE1 3.26Å; R229-Y235 PolarHBondContact NH1-OH 3.14Å; R229-Y235 PolarHBondContact NH2-OH 2.84Å |
| 236 | L | 93.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 73 Ų | 73 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 138.2 | 171.2 | -68.3 | 174.3 | 0 | 0 | 0 | 109.5 | V217 N218 R228 D230 H234 C240 | V217-L236 HydrophobicContact CG2-CD2 3.7Å; V217-L236 HydrophobicContact CG2-CG 4.5Å; N218-L236 HydrophobicContact CB-CD2 3.86Å; R228-L236 HydrophobicContact CB-CB 4.5Å; R228-L236 PolarHBondContact N-O 3.27Å; R228-L236 PolarHBondContact O-N 2.72Å; D230-L236 HydrophobicContact CB-CD1 4.08Å; H234-L236 PolarHBondContact O-N 3.11Å; L236-C240 HydrophobicContact CD2-CB 4.27Å |
| 237 | C | 95.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 72.5 Ų | 72.5 | 4% | 0.041 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 155.8 | 168.4 | 73.3 | 0 | 0 | 0 | 0 | 110.5 | C216 C219 A221 T224 A239 C240 G241 | C216-C237 HydrophobicContact CB-CB 3.89Å; C216-C237 PolarHBondContact SG-N 3.25Å; C216-C237 VanDerWaalsContact SG-SG 3.67Å; C219-C237 PolarHBondContact SG-SG 2.83Å; A221-C237 HydrophobicContact CB-CB 4.46Å; T224-C237 HydrophobicContact CG2-CB 4.13Å; T224-C237 WeakPolarHBondContact OG1-CB 3.37Å; C237-A239 VanDerWaalsContact C-N 3.26Å; C237-A239 PolarHBondContact O-N 2.68Å; C237-A239 VanDerWaalsContact O-N 3.11Å; C237-C240 PolarHBondContact O-N 3.37Å; C237-C240 PolarHBondContact SG-SG 3.44Å; C237-G241 PolarHBondContact O-N 3.25Å |
| 238 | N | 95 | Very high | 91.8 | Very high | 44 Ų | 44 | 71.9 Ų | 71.9 | 24% | 0.235 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -47.2 | -48.4 | -175.1 | -166.2 | 30.4 | 0 | 0 | 0 | 112.6 | T224 P225 L226 R228 C240 G241 L242 | T224-N238 PolarHBondContact OG1-N 3.33Å; P225-N238 HydrophobicContact CG-CB 4.46Å; L226-N238 HydrophobicContact CB-CB 4.16Å; L226-N238 WeakPolarHBondContact O-CA 3.18Å; L226-N238 WeakPolarHBondContact O-CB 3.28Å; L226-N238 PolarHBondContact O-N 2.85Å; R228-N238 PolarHBondContact NE-OD1 2.94Å; R228-N238 PolarHBondContact NH2-OD1 3.26Å; N238-C240 PolarHBondContact O-N 2.77Å; N238-G241 PolarHBondContact O-N 3.12Å; N238-L242 WeakPolarHBondContact O-CD1 3.43Å; N238-L242 PolarHBondContact O-N 3.49Å; N238-L242 WeakPolarHBondContact OD1-CD1 3.38Å |
| 239 | A | 92.9 | Very high | 91.5 | Very high | 47 Ų | 47 | 71.9 Ų | 71.9 | 39% | 0.388 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.3 | -33.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | C237 Y243 | C237-A239 VanDerWaalsContact C-N 3.26Å; C237-A239 PolarHBondContact O-N 2.68Å; C237-A239 VanDerWaalsContact O-N 3.11Å; A239-Y243 WeakPolarHBondContact O-CB 3.12Å; A239-Y243 PolarHBondContact O-N 3.03Å |
| 240 | C | 93.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.014 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -81.2 | -35.3 | 176.5 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | N218 L236 C237 N238 Y243 H244 | N218-C240 HydrophobicContact CB-CB 4.05Å; N218-C240 PolarHBondContact OD1-SG 3.32Å; N218-C240 VanDerWaalsContact OD1-SG 3.32Å; L236-C240 HydrophobicContact CD2-CB 4.27Å; C237-C240 PolarHBondContact O-N 3.37Å; C237-C240 PolarHBondContact SG-SG 3.44Å; N238-C240 PolarHBondContact O-N 2.77Å; C240-Y243 PolarHBondContact O-N 3.27Å; C240-H244 WeakPolarHBondContact O-CB 3.12Å; C240-H244 PolarHBondContact O-N 3.46Å |
| 241 | G | 93.9 | Very high | 91 | Very high | 11 Ų | 11 | 72.8 Ų | 72.8 | 11% | 0.113 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66 | -41.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C237 N238 K245 | C237-G241 PolarHBondContact O-N 3.25Å; N238-G241 PolarHBondContact O-N 3.12Å; G241-K245 WeakPolarHBondContact O-CB 3.48Å; G241-K245 PolarHBondContact O-N 3.37Å |
| 242 | L | 92.3 | Very high | 90.7 | Very high | 91 Ų | 91 | 72.1 Ų | 72.1 | 48% | 0.476 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.9 | -48.4 | 172.1 | -92.3 | 84.2 | 0 | 0 | 0 | 111.4 | N238 H244 K245 M246 | N238-L242 WeakPolarHBondContact O-CD1 3.43Å; N238-L242 PolarHBondContact O-N 3.49Å; N238-L242 WeakPolarHBondContact OD1-CD1 3.38Å; L242-H244 PolarHBondContact O-N 3.1Å; L242-K245 PolarHBondContact O-N 3.5Å; L242-M246 WeakPolarHBondContact O-CB 3.37Å; L242-M246 PolarHBondContact O-N 3.37Å |
| 243 | Y | 92.4 | Very high | 90.2 | Very high | 60 Ų | 60 | 70.4 Ų | 70.4 | 24% | 0.235 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61 | -45.1 | -178.5 | -168.1 | -85 | 0 | 0 | 0 | 111.8 | A239 C240 K245 M246 N247 I249 R251 P252 | A239-Y243 WeakPolarHBondContact O-CB 3.12Å; A239-Y243 PolarHBondContact O-N 3.03Å; C240-Y243 PolarHBondContact O-N 3.27Å; Y243-K245 PolarHBondContact O-N 3.1Å; Y243-M246 PolarHBondContact O-N 3.08Å; Y243-N247 HydrophobicContact CD1-CB 4.28Å; Y243-N247 HydrophobicContact CE1-CB 4.01Å; Y243-N247 WeakPolarHBondContact O-CB 3.46Å; Y243-N247 PolarHBondContact O-N 3.48Å; Y243-N247 PolarHBondContact O-OD1 3.38Å; Y243-I249 WeakPolarHBondContact CD1-O 3.32Å; Y243-I249 HydrophobicContact CE1-CD1 4.08Å; Y243-I249 HydrophobicContact CE1-CG1 3.94Å; Y243-R251 HydrophobicContact CD1-CB 3.72Å; Y243-R251 HydrophobicContact CD1-CG 4.05Å; Y243-R251 HydrophobicContact CD2-CG 4.18Å; Y243-R251 HydrophobicContact CE1-CB 4.29Å; Y243-R251 HydrophobicContact CE1-CG 4.49Å; Y243-R251 HydrophobicContact CG-CB 3.95Å; Y243-R251 HydrophobicContact CG-CG 3.88Å; Y243-P252 VanDerWaalsContact CZ-CD 3.49Å; Y243-P252 WeakPolarHBondContact OH-CD 3.43Å |
| 244 | H | 91.2 | Very high | 89.4 | Confident | 75 Ų | 75 | 77 Ų | 77 | 35% | 0.347 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 175.7 | -171.4 | -79.5 | 0 | 0 | 0 | 112.2 | C240 L242 G248 | C240-H244 WeakPolarHBondContact O-CB 3.12Å; C240-H244 PolarHBondContact O-N 3.46Å; L242-H244 PolarHBondContact O-N 3.1Å; H244-G248 WeakPolarHBondContact O-CA 3.34Å; H244-G248 PolarHBondContact O-N 3.01Å |
| 245 | K | 90.6 | Very high | 88.4 | Confident | 189 Ų | 189 | 81 Ų | 81 | 82% | 0.822 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -67.9 | -35.9 | 177.8 | -172.3 | 177.2 | -179.7 | -176.3 | 0 | 112.9 | G241 L242 Y243 | G241-K245 WeakPolarHBondContact O-CB 3.48Å; G241-K245 PolarHBondContact O-N 3.37Å; L242-K245 PolarHBondContact O-N 3.5Å; Y243-K245 PolarHBondContact O-N 3.1Å |
| 246 | M | 87.3 | Confident | 86.7 | Confident | 153 Ų | 153 | 82.9 Ų | 82.9 | 75% | 0.754 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -86.3 | -37.2 | -175.8 | -174.2 | 172.6 | 69.8 | 0 | 0 | 113.2 | L242 Y243 | L242-M246 WeakPolarHBondContact O-CB 3.37Å; L242-M246 PolarHBondContact O-N 3.37Å; Y243-M246 PolarHBondContact O-N 3.08Å |
| 247 | N | 91.3 | Very high | 85 | Confident | 74 Ų | 74 | 85.9 Ų | 85.9 | 40% | 0.396 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -106.4 | -10.2 | -172.5 | -61.8 | 93.8 | 0 | 0 | 0 | 113.7 | Y243 I249 | Y243-N247 HydrophobicContact CD1-CB 4.28Å; Y243-N247 HydrophobicContact CE1-CB 4.01Å; Y243-N247 WeakPolarHBondContact O-CB 3.46Å; Y243-N247 PolarHBondContact O-N 3.48Å; Y243-N247 PolarHBondContact O-OD1 3.38Å; N247-I249 HydrophobicContact CB-CG1 3.74Å; N247-I249 PolarHBondContact O-N 2.89Å; N247-I249 VanDerWaalsContact O-N 3.08Å |
| 248 | G | 88.3 | Confident | 83.2 | Confident | 59 Ų | 59 | 95.7 Ų | 95.7 | 61% | 0.608 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 66.9 | 4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | H244 | H244-G248 WeakPolarHBondContact O-CA 3.34Å; H244-G248 PolarHBondContact O-N 3.01Å |
| 249 | I | 88.1 | Confident | 81.5 | Confident | 97 Ų | 97 | 99.3 Ų | 99.3 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -127 | 155.5 | -176.9 | 53.6 | 156.5 | 0 | 0 | 0 | 111.3 | Y243 N247 | Y243-I249 WeakPolarHBondContact CD1-O 3.32Å; Y243-I249 HydrophobicContact CE1-CD1 4.08Å; Y243-I249 HydrophobicContact CE1-CG1 3.94Å; N247-I249 HydrophobicContact CB-CG1 3.74Å; N247-I249 PolarHBondContact O-N 2.89Å; N247-I249 VanDerWaalsContact O-N 3.08Å |
| 250 | N | 85.1 | Confident | 79.6 | Confident | 101 Ų | 101 | 101.5 Ų | 101.5 | 54% | 0.54 | 50% | 0.503 | S | S | . | . | | | trans | -65.3 | 137.5 | 173.9 | -88.5 | -70.1 | 0 | 0 | 0 | 111.2 | N218 | N218-N250 WeakPolarHBondContact ND2-CB 3.41Å; N218-N250 PolarHBondContact ND2-OD1 2.72Å |
| 251 | R | 86.6 | Confident | 77.9 | Confident | 111 Ų | 111 | 103.2 Ų | 103.2 | 42% | 0.419 | 52% | 0.515 | S | S | . | . | | | trans | -57.5 | 123.6 | -178.8 | -167.2 | 178.4 | -176.8 | -142.3 | 1.7 | 110.9 | N218 Y243 L253 | N218-R251 PolarHBondContact ND2-N 3.3Å; N218-R251 VanDerWaalsContact ND2-N 3.14Å; Y243-R251 HydrophobicContact CD1-CB 3.72Å; Y243-R251 HydrophobicContact CD1-CG 4.05Å; Y243-R251 HydrophobicContact CD2-CG 4.18Å; Y243-R251 HydrophobicContact CE1-CB 4.29Å; Y243-R251 HydrophobicContact CE1-CG 4.49Å; Y243-R251 HydrophobicContact CG-CB 3.95Å; Y243-R251 HydrophobicContact CG-CG 3.88Å; R251-L253 WeakPolarHBondContact O-CD1 3.46Å; R251-L253 PolarHBondContact O-N 3.07Å |
| 252 | P | 81.1 | Confident | 76.2 | Confident | 79 Ų | 79 | 104.8 Ų | 104.8 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | | | trans | -72.8 | 115 | 179.4 | 27.4 | -32.8 | 0 | 0 | 0 | 110.3 | Y243 I254 | Y243-P252 VanDerWaalsContact CZ-CD 3.49Å; Y243-P252 WeakPolarHBondContact OH-CD 3.43Å; P252-I254 PolarHBondContact O-N 3.02Å; P252-I254 VanDerWaalsContact O-N 3.12Å |
| 253 | L | 78.6 | Confident | 74.5 | Confident | 70 Ų | 70 | 104.7 Ų | 104.7 | 37% | 0.366 | 53% | 0.534 | S | S | . | . | | | trans | -79.8 | 93.3 | 176.9 | -92.3 | 70.8 | 0 | 0 | 0 | 110.6 | N218 C219 R251 K255 Q257 | N218-L253 WeakPolarHBondContact OD1-CD1 3.37Å; C219-L253 HydrophobicContact CB-CD1 3.95Å; C219-L253 HydrophobicContact CB-CD2 4.06Å; C219-L253 HydrophobicContact CB-CG 4.43Å; R251-L253 WeakPolarHBondContact O-CD1 3.46Å; R251-L253 PolarHBondContact O-N 3.07Å; L253-K255 PolarHBondContact O-N 2.89Å; L253-K255 VanDerWaalsContact O-N 3.15Å; L253-Q257 HydrophobicContact CD2-CB 3.78Å; L253-Q257 HydrophobicContact CD2-CG 3.74Å |
| 254 | I | 72.9 | Confident | 73.1 | Confident | 172 Ų | 172 | 108.3 Ų | 108.3 | 88% | 0.882 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -58 | -25.4 | 177.7 | -62.7 | 167.7 | 0 | 0 | 0 | 112.3 | P252 | P252-I254 PolarHBondContact O-N 3.02Å; P252-I254 VanDerWaalsContact O-N 3.12Å |
| 255 | K | 71.3 | Confident | 71.9 | Confident | 176 Ų | 176 | 108.4 Ų | 108.4 | 77% | 0.765 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -114.7 | 125.6 | 174.4 | -152 | 145.3 | -173.5 | 168.1 | 0 | 109.2 | L253 Q257 | L253-K255 PolarHBondContact O-N 2.89Å; L253-K255 VanDerWaalsContact O-N 3.15Å; K255-Q257 PolarHBondContact O-N 3.28Å |
| 256 | P | 59.8 | Low | 70.9 | Confident | 115 Ų | 115 | 105.4 Ų | 105.4 | 75% | 0.747 | 54% | 0.542 | S | S | * | . | | | trans | -60.4 | 128.3 | -179.6 | 24.4 | -33.6 | 0 | 0 | 0 | 109.9 | R258 | P256-R258 PolarHBondContact O-N 3.15Å; P256-R258 VanDerWaalsContact O-N 3.09Å |
| 257 | Q | 58.3 | Low | 70.7 | Confident | 71 Ų | 71 | 101.6 Ų | 101.6 | 33% | 0.332 | 54% | 0.542 | S | S | . | . | | | trans | -67.5 | 109.6 | -166.7 | -149.8 | -94.8 | -23.3 | 0 | 0 | 110.6 | C219 G220 L253 K255 R259 | C219-Q257 VanDerWaalsContact O-CD 3.25Å; C219-Q257 WeakPolarHBondContact O-CG 3.47Å; C219-Q257 PolarHBondContact O-NE2 2.86Å; G220-Q257 VanDerWaalsContact C-NE2 3.29Å; G220-Q257 VanDerWaalsContact CA-NE2 3.33Å; G220-Q257 PolarHBondContact O-NE2 3.4Å; L253-Q257 HydrophobicContact CD2-CB 3.78Å; L253-Q257 HydrophobicContact CD2-CG 3.74Å; K255-Q257 PolarHBondContact O-N 3.28Å; Q257-R259 PolarHBondContact O-N 3.4Å; Q257-R259 VanDerWaalsContact OE1-N 3.1Å |
| 258 | R | 56.9 | Low | 70.6 | Confident | 213 Ų | 213 | 101 Ų | 101 | 80% | 0.804 | 54% | 0.539 | S | S | * | . | | | trans | -70.4 | 88.1 | 160.6 | -67.7 | -166.4 | 80.2 | 155.9 | 3.2 | 106.9 | P256 L260 | P256-R258 PolarHBondContact O-N 3.15Å; P256-R258 VanDerWaalsContact O-N 3.09Å; R258-L260 PolarHBondContact O-N 3.42Å; R258-L260 VanDerWaalsContact O-N 3.12Å |
| 259 | R | 58.7 | Low | 70.9 | Confident | 119 Ų | 119 | 100.9 Ų | 100.9 | 45% | 0.449 | 53% | 0.528 | S | S | . | . | | | trans | -45 | 123.2 | 168.2 | -88.4 | -170.6 | 158.7 | -93.7 | -3.7 | 107.6 | E215 Q257 S261 A262 | E215-R259 IonicContact OE1-CZ 2.8Å; E215-R259 IonicContact OE1-NH1 2.75Å; E215-R259 PolarHBondContact OE1-NH1 3.36Å; E215-R259 IonicContact OE1-NH2 2.68Å; E215-R259 PolarHBondContact OE1-NH2 3.27Å; E215-R259 IonicContact OE2-CZ 3.2Å; E215-R259 IonicContact OE2-NH1 2.83Å; E215-R259 PolarHBondContact OE2-NH1 3.17Å; E215-R259 IonicContact OE2-NH2 3.68Å; Q257-R259 PolarHBondContact O-N 3.4Å; Q257-R259 VanDerWaalsContact OE1-N 3.1Å; R259-S261 WeakPolarHBondContact CB-OG 3.31Å; R259-S261 PolarHBondContact O-N 3.16Å; R259-A262 WeakPolarHBondContact O-CB 3.43Å; R259-A262 PolarHBondContact O-N 3.43Å |
| 260 | L | 54.3 | Low | 71.3 | Confident | 94 Ų | 94 | 96.2 Ų | 96.2 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -61.4 | -14 | -179.4 | -68.8 | 167.1 | 0 | 0 | 0 | 112.4 | M222 R258 A262 S263 | M222-L260 HydrophobicContact CB-CD1 4.46Å; M222-L260 HydrophobicContact CG-CD1 4.12Å; M222-L260 HydrophobicContact SD-CB 3.86Å; M222-L260 HydrophobicContact SD-CD1 4.18Å; R258-L260 PolarHBondContact O-N 3.42Å; R258-L260 VanDerWaalsContact O-N 3.12Å; L260-A262 PolarHBondContact O-N 2.76Å; L260-S263 WeakPolarHBondContact O-CB 3.48Å; L260-S263 PolarHBondContact O-N 3.29Å |
| 261 | S | 57.2 | Low | 71.8 | Confident | 37 Ų | 37 | 93.3 Ų | 93.3 | 26% | 0.259 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -52.3 | -8.3 | 158.7 | 81.9 | 0 | 0 | 0 | 0 | 115.6 | R259 R265 | R259-S261 WeakPolarHBondContact CB-OG 3.31Å; R259-S261 PolarHBondContact O-N 3.16Å; S261-R265 WeakPolarHBondContact O-CD 3.18Å; S261-R265 VanDerWaalsContact O-CG 3.24Å; S261-R265 WeakPolarHBondContact O-CG 3.36Å; S261-R265 PolarHBondContact O-NE 2.88Å; S261-R265 PolarHBondContact OG-NH2 3.36Å |
| 262 | A | 57.4 | Low | 72.3 | Confident | 45 Ų | 45 | 90.2 Ų | 90.2 | 37% | 0.372 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -84 | -25.1 | 170 | 0 | 0 | 0 | 0 | 0 | 112.6 | R259 L260 R265 | R259-A262 WeakPolarHBondContact O-CB 3.43Å; R259-A262 PolarHBondContact O-N 3.43Å; L260-A262 PolarHBondContact O-N 2.76Å; A262-R265 PolarHBondContact O-N 2.59Å |
| 263 | S | 57.5 | Low | 72.9 | Confident | 89 Ų | 89 | 86.5 Ų | 86.5 | 62% | 0.622 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -71.8 | -44.8 | 172.1 | -140.4 | 0 | 0 | 0 | 0 | 110.1 | L260 R265 V266 | L260-S263 WeakPolarHBondContact O-CB 3.48Å; L260-S263 PolarHBondContact O-N 3.29Å; S263-R265 PolarHBondContact O-N 3.17Å; S263-V266 WeakPolarHBondContact O-CG2 3.14Å; S263-V266 PolarHBondContact O-N 3.32Å; S263-V266 VanDerWaalsContact O-N 3.11Å |
| 264 | R | 63 | Low | 73.7 | Confident | 136 Ų | 136 | 88 Ų | 88 | 51% | 0.513 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -68.4 | 17.3 | 171.6 | -53.8 | -175.2 | -160.3 | -131.6 | -15.6 | 114.8 | E212 | E212-R264 VanDerWaalsContact CG-NH1 3.32Å; E212-R264 IonicContact OE1-CZ 3.51Å; E212-R264 IonicContact OE1-NH1 2.72Å; E212-R264 IonicContact OE1-NH2 3.68Å; E212-R264 PolarHBondContact OE1-NH2 2.88Å |
| 265 | R | 66 | Low | 74.7 | Confident | 76 Ų | 76 | 80.5 Ų | 80.5 | 29% | 0.287 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -113.8 | -4.5 | 171.4 | -69 | 174.2 | -152.6 | -149.4 | 5.9 | 112.8 | S261 A262 S263 G267 L268 T278 | S261-R265 WeakPolarHBondContact O-CD 3.18Å; S261-R265 VanDerWaalsContact O-CG 3.24Å; S261-R265 WeakPolarHBondContact O-CG 3.36Å; S261-R265 PolarHBondContact O-NE 2.88Å; S261-R265 PolarHBondContact OG-NH2 3.36Å; A262-R265 PolarHBondContact O-N 2.59Å; S263-R265 PolarHBondContact O-N 3.17Å; R265-G267 PolarHBondContact O-N 3.35Å; R265-L268 PolarHBondContact O-N 2.92Å; R265-L268 VanDerWaalsContact O-N 3.09Å; R265-T278 PolarHBondContact NH1-O 2.93Å |
| 266 | V | 69.1 | Low | 75.7 | Confident | 126 Ų | 126 | 76 Ų | 76 | 76% | 0.764 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 126.4 | 166 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | S263 L268 | S263-V266 WeakPolarHBondContact O-CG2 3.14Å; S263-V266 PolarHBondContact O-N 3.32Å; S263-V266 VanDerWaalsContact O-N 3.11Å; V266-L268 PolarHBondContact O-N 3.43Å |
| 267 | G | 83.1 | Confident | 77.2 | Confident | 74 Ų | 74 | 74 Ų | 74 | 76% | 0.763 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | -16.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | R265 S269 | R265-G267 PolarHBondContact O-N 3.35Å; G267-S269 PolarHBondContact O-N 3.07Å |
| 268 | L | 90.4 | Very high | 78.9 | Confident | 62 Ų | 62 | 71.5 Ų | 71.5 | 33% | 0.325 | 39% | 0.392 | S | S | . | . | | | trans | -79.6 | 115.7 | 178.7 | -86.1 | 65.9 | 0 | 0 | 0 | 111 | R265 V266 T276 W281 | R265-L268 PolarHBondContact O-N 2.92Å; R265-L268 VanDerWaalsContact O-N 3.09Å; V266-L268 PolarHBondContact O-N 3.43Å; L268-T276 WeakPolarHBondContact O-CA 3.31Å; L268-W281 HydrophobicContact CB-CH2 4.26Å; L268-W281 HydrophobicContact CB-CZ2 3.7Å; L268-W281 WeakPolarHBondContact O-CH2 3.26Å; L268-W281 WeakPolarHBondContact O-CZ2 3.29Å |
| 269 | S | 94.8 | Very high | 80.5 | Confident | 55 Ų | 55 | 66 Ų | 66 | 39% | 0.385 | 38% | 0.383 | S | S | . | . | | | trans | -115.1 | 162.5 | 171.7 | 68 | 0 | 0 | 0 | 0 | 111 | G267 | G267-S269 PolarHBondContact O-N 3.07Š|
| 270 | C | 95.9 | Very high | 82 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 38% | 0.383 | C | S | . | . | | | trans | -87.2 | 122.9 | 174.5 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | N272 C273 Q274 T275 W281 P289 C291 | C270-N272 PolarHBondContact O-N 3.37Å; C270-C273 PolarHBondContact O-N 3.06Å; C270-Q274 WeakPolarHBondContact O-CA 3.38Å; C270-Q274 PolarHBondContact O-N 2.85Å; C270-T275 PolarHBondContact N-O 3.26Å; C270-W281 HydrophobicContact CB-CZ3 4.15Å; C270-P289 WeakPolarHBondContact CA-O 3.34Å; C270-C291 HydrophobicContact CB-CB 4Å; C270-C291 PolarHBondContact SG-N 3.35Å |
| 271 | A | 96.1 | Very high | 83.9 | Confident | 39 Ų | 39 | 62.3 Ų | 62.3 | 32% | 0.322 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -52 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q274 E288 P289 V290 | A271-Q274 PolarHBondContact O-NE2 3.21Å; A271-E288 HydrophobicContact CB-CB 4.17Å; A271-P289 PolarHBondContact N-O 2.86Å; A271-V290 HydrophobicContact CB-CG1 4.3Å |
| 272 | N | 95.8 | Very high | 85.7 | Confident | 46 Ų | 46 | 65.1 Ų | 65.1 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -36.3 | -178.1 | 161.9 | -102.7 | 0 | 0 | 0 | 115.3 | C270 Q274 C294 R305 | C270-N272 PolarHBondContact O-N 3.37Å; N272-Q274 PolarHBondContact O-NE2 3.15Å; N272-C294 HydrophobicContact CB-CB 4.38Å; N272-C294 WeakPolarHBondContact OD1-CB 3.33Å; N272-C294 PolarHBondContact OD1-SG 3.21Å; N272-R305 PolarHBondContact ND2-O 2.81Å |
| 273 | C | 95.3 | Very high | 87.6 | Confident | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.014 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | 10.5 | -169.3 | 83.5 | 0 | 0 | 0 | 0 | 115.7 | C270 T275 C294 L307 R310 | C270-C273 PolarHBondContact O-N 3.06Å; C273-T275 PolarHBondContact O-N 3.07Å; C273-T275 PolarHBondContact O-OG1 3.02Å; C273-T275 PolarHBondContact SG-OG1 3.07Å; C273-C294 PolarHBondContact SG-SG 2.88Å; C273-L307 HydrophobicContact CB-CD2 4.13Å; C273-R310 PolarHBondContact O-NH1 3.34Å |
| 274 | Q | 94.8 | Very high | 89.3 | Confident | 102 Ų | 102 | 70 Ų | 70 | 48% | 0.477 | 37% | 0.371 | S | S | . | . | | | trans | 56.3 | 4.1 | 172.2 | -52.6 | 74.9 | 38.3 | 0 | 0 | 116.1 | C270 A271 N272 T276 | C270-Q274 WeakPolarHBondContact O-CA 3.38Å; C270-Q274 PolarHBondContact O-N 2.85Å; A271-Q274 PolarHBondContact O-NE2 3.21Å; N272-Q274 PolarHBondContact O-NE2 3.15Å; Q274-T276 PolarHBondContact O-N 3.45Å |
| 275 | T | 93.6 | Very high | 90.7 | Very high | 14 Ų | 14 | 68.4 Ų | 68.4 | 9% | 0.086 | 39% | 0.387 | C | S | . | . | | | trans | -68.8 | 121 | 179.1 | -46.3 | 0 | 0 | 0 | 0 | 110.9 | C270 C273 T277 W281 | C270-T275 PolarHBondContact N-O 3.26Å; C273-T275 PolarHBondContact O-N 3.07Å; C273-T275 PolarHBondContact O-OG1 3.02Å; C273-T275 PolarHBondContact SG-OG1 3.07Å; T275-T277 WeakPolarHBondContact CG2-O 3.36Å; T275-W281 WeakPolarHBondContact O-CH2 3.49Å |
| 276 | T | 93 | Very high | 92 | Very high | 80 Ų | 80 | 71.3 Ų | 71.3 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | | | trans | -82.7 | -17.3 | 177.5 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | L268 Q274 W281 | L268-T276 WeakPolarHBondContact O-CA 3.31Å; Q274-T276 PolarHBondContact O-N 3.45Å; T276-W281 WeakPolarHBondContact O-CZ2 3.34Å |
| 277 | T | 91.1 | Very high | 93.1 | Very high | 75 Ų | 75 | 66.7 Ų | 66.7 | 46% | 0.46 | 38% | 0.382 | S | S | . | . | | | trans | -105.4 | 119.1 | 179.8 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | T275 | T275-T277 WeakPolarHBondContact CG2-O 3.36Š|
| 278 | T | 92.5 | Very high | 93.6 | Very high | 18 Ų | 18 | 67.5 Ų | 67.5 | 11% | 0.11 | 37% | 0.366 | C | S | . | . | | | trans | -148.2 | 153.5 | 175.5 | -161.4 | 0 | 0 | 0 | 0 | 113.1 | R265 L280 W281 C291 N292 | R265-T278 PolarHBondContact NH1-O 2.93Å; T278-L280 WeakPolarHBondContact CG2-O 3.4Å; T278-L280 PolarHBondContact OG1-O 3.18Å; T278-W281 HydrophobicContact CG2-CD2 3.44Å; T278-W281 VanDerWaalsContact CG2-CD2 3.44Å; T278-W281 HydrophobicContact CG2-CE3 3.77Å; T278-W281 HydrophobicContact CG2-CG 3.84Å; T278-W281 HydrophobicContact CG2-CH2 4.29Å; T278-W281 HydrophobicContact CG2-CZ2 4.02Å; T278-W281 HydrophobicContact CG2-CZ3 4.18Å; T278-C291 HydrophobicContact CG2-CB 4.27Å; T278-N292 PolarHBondContact OG1-N 3.05Å |
| 279 | T | 90.6 | Very high | 93.9 | Very high | 98 Ų | 98 | 67.1 Ų | 67.1 | 60% | 0.601 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -72.1 | -30.6 | 178.7 | 50.8 | 0 | 0 | 0 | 0 | 112.7 | I314 | T279-I314 HydrophobicContact CG2-CG2 3.74Š|
| 280 | L | 91.7 | Very high | 93.9 | Very high | 86 Ų | 86 | 64.9 Ų | 64.9 | 45% | 0.45 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -150.8 | 128.7 | 176.3 | 171.2 | 65 | 0 | 0 | 0 | 108.6 | T278 N292 | T278-L280 WeakPolarHBondContact CG2-O 3.4Å; T278-L280 PolarHBondContact OG1-O 3.18Å; L280-N292 HydrophobicContact CB-CB 4.07Å; L280-N292 VanDerWaalsContact O-CB 3.29Å; L280-N292 WeakPolarHBondContact O-CB 3.33Å; L280-N292 PolarHBondContact O-N 3.36Å |
| 281 | W | 94.1 | Very high | 94 | Very high | 48 Ų | 48 | 65.1 Ų | 65.1 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 143.4 | 166.9 | -70.9 | 115.8 | 0 | 0 | 0 | 109.6 | L268 C270 T275 T276 T278 P289 C291 | L268-W281 HydrophobicContact CB-CH2 4.26Å; L268-W281 HydrophobicContact CB-CZ2 3.7Å; L268-W281 WeakPolarHBondContact O-CH2 3.26Å; L268-W281 WeakPolarHBondContact O-CZ2 3.29Å; C270-W281 HydrophobicContact CB-CZ3 4.15Å; T275-W281 WeakPolarHBondContact O-CH2 3.49Å; T276-W281 WeakPolarHBondContact O-CZ2 3.34Å; T278-W281 HydrophobicContact CG2-CD2 3.44Å; T278-W281 VanDerWaalsContact CG2-CD2 3.44Å; T278-W281 HydrophobicContact CG2-CE3 3.77Å; T278-W281 HydrophobicContact CG2-CG 3.84Å; T278-W281 HydrophobicContact CG2-CH2 4.29Å; T278-W281 HydrophobicContact CG2-CZ2 4.02Å; T278-W281 HydrophobicContact CG2-CZ3 4.18Å; W281-P289 HydrophobicContact CE3-CB 4.35Å; W281-C291 HydrophobicContact CZ3-CB 4.5Å |
| 282 | R | 95.2 | Very high | 94 | Very high | 96 Ų | 96 | 64.9 Ų | 64.9 | 36% | 0.362 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 169.8 | 173.5 | -66.5 | -178.5 | 176.1 | -81.7 | -5.1 | 108.6 | V290 N292 | R282-V290 HydrophobicContact CB-CG2 3.91Å; R282-V290 PolarHBondContact N-O 2.77Å; R282-V290 PolarHBondContact O-N 2.83Å; R282-N292 PolarHBondContact NE-OD1 2.95Å; R282-N292 PolarHBondContact NH2-OD1 2.79Å |
| 283 | R | 95.4 | Very high | 94.1 | Very high | 193 Ų | 193 | 64.7 Ų | 64.7 | 73% | 0.728 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 149.3 | 162.9 | -62.5 | -178.1 | -175 | -89.4 | 7.5 | 109.7 | G287 E288 | R283-G287 VanDerWaalsContact CD-O 3.31Å; R283-G287 WeakPolarHBondContact CD-O 3.47Å; R283-G287 WeakPolarHBondContact CG-O 3.45Å; R283-G287 PolarHBondContact NH1-O 3.42Å; R283-E288 VanDerWaalsContact CA-O 3.26Å; R283-E288 WeakPolarHBondContact CA-O 3.4Å |
| 284 | N | 93.5 | Very high | 94.1 | Very high | 44 Ų | 44 | 64.9 Ų | 64.9 | 24% | 0.235 | 35% | 0.352 | C | S | . | . | | | trans | -81.5 | -172.1 | 163.2 | 58 | -9.6 | 0 | 0 | 0 | 110.1 | E286 G287 E288 V290 | N284-E286 WeakPolarHBondContact CB-OE2 3.34Å; N284-E286 PolarHBondContact ND2-OE2 3.27Å; N284-E286 PolarHBondContact O-N 2.93Å; N284-G287 PolarHBondContact O-N 2.94Å; N284-G287 PolarHBondContact OD1-N 3.13Å; N284-G287 VanDerWaalsContact OD1-N 3.16Å; N284-E288 PolarHBondContact N-O 2.97Å; N284-E288 PolarHBondContact ND2-OE2 2.79Å; N284-E288 WeakPolarHBondContact OD1-CA 3.24Å; N284-E288 VanDerWaalsContact OD1-CB 3.28Å; N284-E288 WeakPolarHBondContact OD1-CB 3.38Å; N284-E288 PolarHBondContact OD1-N 2.85Å; N284-E288 PolarHBondContact OD1-O 3.12Å; N284-V290 HydrophobicContact CB-CG1 4.11Å; N284-V290 HydrophobicContact CB-CG2 4.5Å |
| 285 | A | 93 | Very high | 94.2 | Very high | 102 Ų | 102 | 60.8 Ų | 60.8 | 84% | 0.843 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -27.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G287 | A285-G287 PolarHBondContact O-N 3.02Š|
| 286 | E | 92.8 | Very high | 94.4 | Very high | 137 Ų | 137 | 64.1 Ų | 64.1 | 64% | 0.64 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -5.6 | 178.9 | -53.3 | 69.6 | -152.7 | 0 | 0 | 112.4 | N284 E288 | N284-E286 WeakPolarHBondContact CB-OE2 3.34Å; N284-E286 PolarHBondContact ND2-OE2 3.27Å; N284-E286 PolarHBondContact O-N 2.93Å; E286-E288 VanDerWaalsContact C-N 3.33Å; E286-E288 HydrophobicContact CB-CG 4.24Å; E286-E288 PolarHBondContact O-N 3.09Å |
| 287 | G | 92.8 | Very high | 94.6 | Very high | 29 Ų | 29 | 62.6 Ų | 62.6 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | | | trans | 84.9 | -9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | R283 N284 A285 | R283-G287 VanDerWaalsContact CD-O 3.31Å; R283-G287 WeakPolarHBondContact CD-O 3.47Å; R283-G287 WeakPolarHBondContact CG-O 3.45Å; R283-G287 PolarHBondContact NH1-O 3.42Å; N284-G287 PolarHBondContact O-N 2.94Å; N284-G287 PolarHBondContact OD1-N 3.13Å; N284-G287 VanDerWaalsContact OD1-N 3.16Å; A285-G287 PolarHBondContact O-N 3.02Å |
| 288 | E | 94.1 | Very high | 94.8 | Very high | 92 Ų | 92 | 63.2 Ų | 63.2 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | | | trans | -64.4 | 153.3 | 179.7 | -50.3 | 179.8 | 108.6 | 0 | 0 | 113.8 | A271 R283 N284 E286 V290 | A271-E288 HydrophobicContact CB-CB 4.17Å; R283-E288 VanDerWaalsContact CA-O 3.26Å; R283-E288 WeakPolarHBondContact CA-O 3.4Å; N284-E288 PolarHBondContact N-O 2.97Å; N284-E288 PolarHBondContact ND2-OE2 2.79Å; N284-E288 WeakPolarHBondContact OD1-CA 3.24Å; N284-E288 VanDerWaalsContact OD1-CB 3.28Å; N284-E288 WeakPolarHBondContact OD1-CB 3.38Å; N284-E288 PolarHBondContact OD1-N 2.85Å; N284-E288 PolarHBondContact OD1-O 3.12Å; E286-E288 VanDerWaalsContact C-N 3.33Å; E286-E288 HydrophobicContact CB-CG 4.24Å; E286-E288 PolarHBondContact O-N 3.09Å; E288-V290 PolarHBondContact O-N 3.18Å |
| 289 | P | 95.3 | Very high | 95 | Very high | 54 Ų | 54 | 71.3 Ų | 71.3 | 35% | 0.351 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 122.1 | 174.9 | 28.7 | -34.5 | 0 | 0 | 0 | 112.4 | C270 A271 W281 | C270-P289 WeakPolarHBondContact CA-O 3.34Å; A271-P289 PolarHBondContact N-O 2.86Å; W281-P289 HydrophobicContact CE3-CB 4.35Å |
| 290 | V | 96.4 | Very high | 95.3 | Very high | 7 Ų | 7 | 73.1 Ų | 73.1 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 146.4 | 171.4 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | A271 R282 N284 E288 | A271-V290 HydrophobicContact CB-CG1 4.3Å; R282-V290 HydrophobicContact CB-CG2 3.91Å; R282-V290 PolarHBondContact N-O 2.77Å; R282-V290 PolarHBondContact O-N 2.83Å; N284-V290 HydrophobicContact CB-CG1 4.11Å; N284-V290 HydrophobicContact CB-CG2 4.5Å; E288-V290 PolarHBondContact O-N 3.18Å |
| 291 | C | 96.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 74 Ų | 74 | 3% | 0.034 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 154.2 | 179.1 | 89.7 | 0 | 0 | 0 | 0 | 111.1 | C270 T278 W281 A293 C294 G295 | C270-C291 HydrophobicContact CB-CB 4Å; C270-C291 PolarHBondContact SG-N 3.35Å; T278-C291 HydrophobicContact CG2-CB 4.27Å; W281-C291 HydrophobicContact CZ3-CB 4.5Å; C291-A293 PolarHBondContact O-N 2.94Å; C291-C294 PolarHBondContact O-N 3.47Å; C291-C294 PolarHBondContact SG-SG 3.49Å; C291-G295 PolarHBondContact O-N 3.11Å |
| 292 | N | 97 | Very high | 95.6 | Very high | 34 Ų | 34 | 74.7 Ų | 74.7 | 18% | 0.182 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -54.5 | -33.4 | -176.9 | -178.6 | 68.5 | 0 | 0 | 0 | 113.9 | T278 L280 R282 L296 | T278-N292 PolarHBondContact OG1-N 3.05Å; L280-N292 HydrophobicContact CB-CB 4.07Å; L280-N292 VanDerWaalsContact O-CB 3.29Å; L280-N292 WeakPolarHBondContact O-CB 3.33Å; L280-N292 PolarHBondContact O-N 3.36Å; R282-N292 PolarHBondContact NE-OD1 2.95Å; R282-N292 PolarHBondContact NH2-OD1 2.79Å; N292-L296 WeakPolarHBondContact ND2-CD1 3.48Å; N292-L296 VanDerWaalsContact O-CB 3.31Å; N292-L296 WeakPolarHBondContact O-CB 3.09Å; N292-L296 WeakPolarHBondContact O-CD1 3.42Å; N292-L296 WeakPolarHBondContact O-CG 3.36Å; N292-L296 PolarHBondContact O-N 2.7Å; N292-L296 VanDerWaalsContact O-N 3.15Å |
| 293 | A | 96.6 | Very high | 95.6 | Very high | 42 Ų | 42 | 73.6 Ų | 73.6 | 35% | 0.347 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70.7 | -39.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | C291 Y297 | C291-A293 PolarHBondContact O-N 2.94Å; A293-Y297 WeakPolarHBondContact O-CB 3.33Å; A293-Y297 PolarHBondContact O-N 3.46Å |
| 294 | C | 96.9 | Very high | 95.6 | Very high | 6 Ų | 6 | 68.2 Ų | 68.2 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -75.1 | -43.3 | 179.9 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | N272 C273 C291 L296 Y297 M298 R305 | N272-C294 HydrophobicContact CB-CB 4.38Å; N272-C294 WeakPolarHBondContact OD1-CB 3.33Å; N272-C294 PolarHBondContact OD1-SG 3.21Å; C273-C294 PolarHBondContact SG-SG 2.88Å; C291-C294 PolarHBondContact O-N 3.47Å; C291-C294 PolarHBondContact SG-SG 3.49Å; C294-L296 VanDerWaalsContact C-N 3.3Å; C294-L296 PolarHBondContact O-N 3.16Å; C294-Y297 PolarHBondContact O-N 3.13Å; C294-M298 WeakPolarHBondContact O-CB 3.43Å; C294-M298 PolarHBondContact O-N 2.99Å; C294-R305 HydrophobicContact CB-CB 4.42Å |
| 295 | G | 96.5 | Very high | 95.7 | Very high | 17 Ų | 17 | 68.1 Ų | 68.1 | 18% | 0.175 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.7 | -30.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | C291 K299 | C291-G295 PolarHBondContact O-N 3.11Å; G295-K299 WeakPolarHBondContact O-CB 3.42Å; G295-K299 PolarHBondContact O-N 3.35Å |
| 296 | L | 96.3 | Very high | 95.8 | Very high | 83 Ų | 83 | 65.9 Ų | 65.9 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -76 | -37.6 | 171.9 | -73.4 | 174.8 | 0 | 0 | 0 | 112.7 | N292 C294 K299 L300 | N292-L296 WeakPolarHBondContact ND2-CD1 3.48Å; N292-L296 VanDerWaalsContact O-CB 3.31Å; N292-L296 WeakPolarHBondContact O-CB 3.09Å; N292-L296 WeakPolarHBondContact O-CD1 3.42Å; N292-L296 WeakPolarHBondContact O-CG 3.36Å; N292-L296 PolarHBondContact O-N 2.7Å; N292-L296 VanDerWaalsContact O-N 3.15Å; C294-L296 VanDerWaalsContact C-N 3.3Å; C294-L296 PolarHBondContact O-N 3.16Å; L296-K299 PolarHBondContact O-N 3.31Å; L296-L300 WeakPolarHBondContact O-CB 3.28Å; L296-L300 PolarHBondContact O-N 3.09Å; L296-L300 VanDerWaalsContact O-N 3.1Å |
| 297 | Y | 97.4 | Very high | 95.8 | Very high | 49 Ų | 49 | 64.5 Ų | 64.5 | 19% | 0.192 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.6 | -48.1 | 177.6 | -173.2 | -86.4 | 0 | 0 | 0 | 111.4 | A293 C294 K299 L300 H301 V303 R305 P306 M309 | A293-Y297 WeakPolarHBondContact O-CB 3.33Å; A293-Y297 PolarHBondContact O-N 3.46Å; C294-Y297 PolarHBondContact O-N 3.13Å; Y297-K299 VanDerWaalsContact C-N 3.32Å; Y297-K299 PolarHBondContact O-N 3.48Å; Y297-L300 PolarHBondContact O-N 3.29Å; Y297-L300 VanDerWaalsContact O-N 3.08Å; Y297-H301 AromaticContact CD2-CD2 3.47Å; Y297-H301 VanDerWaalsContact CD2-CD2 3.47Å; Y297-H301 WeakPolarHBondContact CD2-CD2 3.38Å; Y297-H301 AromaticContact CD2-NE2 3.92Å; Y297-H301 HydrophobicContact CE1-CB 4.28Å; Y297-H301 AromaticContact CE2-CD2 3.45Å; Y297-H301 VanDerWaalsContact CE2-CD2 3.45Å; Y297-H301 WeakPolarHBondContact CE2-CD2 3.43Å; Y297-H301 AromaticContact CE2-NE2 3.81Å; Y297-H301 AromaticContact CG-CD2 3.82Å; Y297-H301 AromaticContact CZ-CD2 3.77Å; Y297-H301 PolarHBondContact O-CD2 3.3Å; Y297-H301 PolarHBondContact O-N 3.21Å; Y297-V303 WeakPolarHBondContact CD1-O 3.42Å; Y297-V303 HydrophobicContact CE1-CG2 4.07Å; Y297-R305 VanDerWaalsContact CD1-CA 3.4Å; Y297-R305 HydrophobicContact CD1-CB 3.66Å; Y297-R305 HydrophobicContact CD1-CG 4.14Å; Y297-R305 HydrophobicContact CD2-CG 4.21Å; Y297-R305 HydrophobicContact CE1-CB 4.25Å; Y297-R305 HydrophobicContact CG-CB 3.84Å; Y297-R305 HydrophobicContact CG-CG 3.94Å; Y297-P306 WeakPolarHBondContact OH-CD 3.35Å; Y297-M309 HydrophobicContact CE2-CE 4.38Å; Y297-M309 HydrophobicContact CE2-SD 3.9Å |
| 298 | M | 96.6 | Very high | 95.8 | Very high | 87 Ų | 87 | 68.1 Ų | 68.1 | 43% | 0.429 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.6 | -44.5 | 175.4 | -173.3 | 68.3 | 91.9 | 0 | 0 | 111.4 | C294 L300 G302 P304 | C294-M298 WeakPolarHBondContact O-CB 3.43Å; C294-M298 PolarHBondContact O-N 2.99Å; M298-L300 VanDerWaalsContact C-N 3.31Å; M298-L300 PolarHBondContact O-N 3.41Å; M298-G302 WeakPolarHBondContact O-CA 3.41Å; M298-G302 PolarHBondContact O-N 2.73Å; M298-P304 HydrophobicContact CE-CB 4.06Å |
| 299 | K | 95.7 | Very high | 95.7 | Very high | 189 Ų | 189 | 68.7 Ų | 68.7 | 82% | 0.822 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -67.5 | -25.9 | 177.9 | -178.7 | 162 | -177.7 | 163.3 | 0 | 114 | G295 L296 Y297 | G295-K299 WeakPolarHBondContact O-CB 3.42Å; G295-K299 PolarHBondContact O-N 3.35Å; L296-K299 PolarHBondContact O-N 3.31Å; Y297-K299 VanDerWaalsContact C-N 3.32Å; Y297-K299 PolarHBondContact O-N 3.48Å |
| 300 | L | 97 | Very high | 95.5 | Very high | 135 Ų | 135 | 70 Ų | 70 | 71% | 0.707 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -90.7 | -31.1 | -178.7 | -176.1 | 59.6 | 0 | 0 | 0 | 113.2 | L296 Y297 M298 | L296-L300 WeakPolarHBondContact O-CB 3.28Å; L296-L300 PolarHBondContact O-N 3.09Å; L296-L300 VanDerWaalsContact O-N 3.1Å; Y297-L300 PolarHBondContact O-N 3.29Å; Y297-L300 VanDerWaalsContact O-N 3.08Å; M298-L300 VanDerWaalsContact C-N 3.31Å; M298-L300 PolarHBondContact O-N 3.41Å |
| 301 | H | 96.6 | Very high | 95.2 | Very high | 105 Ų | 105 | 76 Ų | 76 | 49% | 0.486 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -119 | -9.2 | -171.4 | -59.1 | -70.6 | 0 | 0 | 0 | 114.6 | Y297 V303 | Y297-H301 AromaticContact CD2-CD2 3.47Å; Y297-H301 VanDerWaalsContact CD2-CD2 3.47Å; Y297-H301 WeakPolarHBondContact CD2-CD2 3.38Å; Y297-H301 AromaticContact CD2-NE2 3.92Å; Y297-H301 HydrophobicContact CE1-CB 4.28Å; Y297-H301 AromaticContact CE2-CD2 3.45Å; Y297-H301 VanDerWaalsContact CE2-CD2 3.45Å; Y297-H301 WeakPolarHBondContact CE2-CD2 3.43Å; Y297-H301 AromaticContact CE2-NE2 3.81Å; Y297-H301 AromaticContact CG-CD2 3.82Å; Y297-H301 AromaticContact CZ-CD2 3.77Å; Y297-H301 PolarHBondContact O-CD2 3.3Å; Y297-H301 PolarHBondContact O-N 3.21Å; H301-V303 HydrophobicContact CB-CG2 3.81Å; H301-V303 PolarHBondContact O-N 3.2Å |
| 302 | G | 95.6 | Very high | 94.6 | Very high | 62 Ų | 62 | 81.8 Ų | 81.8 | 64% | 0.639 | 45% | 0.446 | S | S | * | . | S | Bend | trans | 71.3 | 0.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | M298 | M298-G302 WeakPolarHBondContact O-CA 3.41Å; M298-G302 PolarHBondContact O-N 2.73Å |
| 303 | V | 95.9 | Very high | 94.1 | Very high | 73 Ų | 73 | 82.2 Ų | 82.2 | 44% | 0.442 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -125.6 | 151.4 | -174.8 | -70.9 | 0 | 0 | 0 | 0 | 112.2 | Y297 H301 | Y297-V303 WeakPolarHBondContact CD1-O 3.42Å; Y297-V303 HydrophobicContact CE1-CG2 4.07Å; H301-V303 HydrophobicContact CB-CG2 3.81Å; H301-V303 PolarHBondContact O-N 3.2Å |
| 304 | P | 94.4 | Very high | 93.8 | Very high | 81 Ų | 81 | 84.3 Ų | 84.3 | 53% | 0.526 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 146.1 | 177.2 | 25 | -34.8 | 0 | 0 | 0 | 111.6 | M298 P306 | M298-P304 HydrophobicContact CE-CB 4.06Å; P304-P306 WeakPolarHBondContact O-CD 3.47Å |
| 305 | R | 96.6 | Very high | 93.4 | Very high | 42 Ų | 42 | 89.8 Ų | 89.8 | 16% | 0.158 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 124.2 | -178.5 | -175.3 | 174.4 | 163.8 | -135.4 | 6.2 | 110.5 | N272 C294 Y297 M309 | N272-R305 PolarHBondContact ND2-O 2.81Å; C294-R305 HydrophobicContact CB-CB 4.42Å; Y297-R305 VanDerWaalsContact CD1-CA 3.4Å; Y297-R305 HydrophobicContact CD1-CB 3.66Å; Y297-R305 HydrophobicContact CD1-CG 4.14Å; Y297-R305 HydrophobicContact CD2-CG 4.21Å; Y297-R305 HydrophobicContact CE1-CB 4.25Å; Y297-R305 HydrophobicContact CG-CB 3.84Å; Y297-R305 HydrophobicContact CG-CG 3.94Å; R305-M309 PolarHBondContact NH2-O 3.32Å |
| 306 | P | 95.3 | Very high | 92.9 | Very high | 55 Ų | 55 | 95.5 Ų | 95.5 | 36% | 0.357 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 138.6 | 180 | 26.8 | -34.1 | 0 | 0 | 0 | 110.9 | Y297 P304 A308 M309 | Y297-P306 WeakPolarHBondContact OH-CD 3.35Å; P304-P306 WeakPolarHBondContact O-CD 3.47Å; P306-A308 PolarHBondContact O-N 2.72Å; P306-M309 HydrophobicContact CG-CB 4.43Å; P306-M309 HydrophobicContact CG-CG 3.95Å; P306-M309 HydrophobicContact CG-SD 3.8Å; P306-M309 PolarHBondContact O-N 3.26Å |
| 307 | L | 93.1 | Very high | 92.3 | Very high | 107 Ų | 107 | 101.4 Ų | 101.4 | 56% | 0.56 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -63.7 | -26.7 | -176.3 | -61.6 | -179 | 0 | 0 | 0 | 112.9 | C273 M309 R310 | C273-L307 HydrophobicContact CB-CD2 4.13Å; L307-M309 PolarHBondContact O-N 3.31Å; L307-M309 VanDerWaalsContact O-N 3.13Å; L307-R310 WeakPolarHBondContact O-CB 3.17Å; L307-R310 PolarHBondContact O-N 3.32Å |
| 308 | A | 92.5 | Very high | 91.5 | Very high | 105 Ų | 105 | 109.3 Ų | 109.3 | 87% | 0.868 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -58.2 | -22.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P306 | P306-A308 PolarHBondContact O-N 2.72Š|
| 309 | M | 90.9 | Very high | 90.7 | Very high | 105 Ų | 105 | 116.3 Ų | 116.3 | 52% | 0.517 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -92.2 | 0.4 | 173.1 | -64.4 | -177.4 | 81.1 | 0 | 0 | 113.6 | Y297 R305 P306 L307 | Y297-M309 HydrophobicContact CE2-CE 4.38Å; Y297-M309 HydrophobicContact CE2-SD 3.9Å; R305-M309 PolarHBondContact NH2-O 3.32Å; P306-M309 HydrophobicContact CG-CB 4.43Å; P306-M309 HydrophobicContact CG-CG 3.95Å; P306-M309 HydrophobicContact CG-SD 3.8Å; P306-M309 PolarHBondContact O-N 3.26Å; L307-M309 PolarHBondContact O-N 3.31Å; L307-M309 VanDerWaalsContact O-N 3.13Å |
| 310 | R | 90.6 | Very high | 89.9 | Confident | 80 Ų | 80 | 116.5 Ų | 116.5 | 30% | 0.302 | 59% | 0.593 | S | S | . | * | | | trans | -63.6 | 141.1 | 172.1 | 178.5 | 175.2 | 164.2 | 161.8 | -11.4 | 108.8 | C273 L307 E312 | C273-R310 PolarHBondContact O-NH1 3.34Å; L307-R310 WeakPolarHBondContact O-CB 3.17Å; L307-R310 PolarHBondContact O-N 3.32Å; R310-E312 IonicContact CZ-OE1 2.83Å; R310-E312 IonicContact CZ-OE2 2.59Å; R310-E312 IonicContact NE-OE2 3.99Å; R310-E312 PolarHBondContact NE-OE2 3.23Å; R310-E312 IonicContact NH2-OE1 3.83Å; R310-E312 PolarHBondContact NH2-OE1 2.87Å; R310-E312 IonicContact NH2-OE2 3.21Å; R310-E312 PolarHBondContact NH2-OE2 3.13Å |
| 311 | K | 91.2 | Very high | 88.7 | Confident | 133 Ų | 133 | 115.2 Ų | 115.2 | 58% | 0.578 | 59% | 0.594 | S | S | * | * | | | trans | -128.8 | 133.4 | 166.6 | -176.2 | 169.7 | -175.7 | 161.3 | 0 | 108.1 | Q315 | K311-Q315 HydrophobicContact CD-CG 4.07Š|
| 312 | E | 84.1 | Confident | 87.3 | Confident | 127 Ų | 127 | 119.9 Ų | 119.9 | 59% | 0.593 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -71.7 | -34.8 | -171.8 | -154 | 54.8 | -150.5 | 0 | 0 | 113.3 | R310 | R310-E312 IonicContact CZ-OE1 2.83Å; R310-E312 IonicContact CZ-OE2 2.59Å; R310-E312 IonicContact NE-OE2 3.99Å; R310-E312 PolarHBondContact NE-OE2 3.23Å; R310-E312 IonicContact NH2-OE1 3.83Å; R310-E312 PolarHBondContact NH2-OE1 2.87Å; R310-E312 IonicContact NH2-OE2 3.21Å; R310-E312 PolarHBondContact NH2-OE2 3.13Å |
| 313 | G | 86.7 | Confident | 85.2 | Confident | 43 Ų | 43 | 123.5 Ų | 123.5 | 44% | 0.443 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -91.7 | 130.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | Q315 | G313-Q315 PolarHBondContact O-N 2.96Å; G313-Q315 VanDerWaalsContact O-N 3.16Å |
| 314 | I | 89.1 | Confident | 83.5 | Confident | 86 Ų | 86 | 128.1 Ų | 128.1 | 44% | 0.441 | 64% | 0.638 | S | S | . | * | | | trans | -59.3 | 115.7 | 167.7 | -61.9 | 178.1 | 0 | 0 | 0 | 109.1 | T279 T316 | T279-I314 HydrophobicContact CG2-CG2 3.74Å; I314-T316 PolarHBondContact O-N 2.83Å |
| 315 | Q | 88.9 | Confident | 81.6 | Confident | 121 Ų | 121 | 130.4 Ų | 130.4 | 57% | 0.565 | 65% | 0.646 | S | S | * | * | | | trans | -69.7 | 117.7 | 175.6 | -61.3 | -172.1 | 12.6 | 0 | 0 | 110.7 | K311 G313 | K311-Q315 HydrophobicContact CD-CG 4.07Å; G313-Q315 PolarHBondContact O-N 2.96Å; G313-Q315 VanDerWaalsContact O-N 3.16Å |
| 316 | T | 86.3 | Confident | 79.6 | Confident | 137 Ų | 137 | 138.2 Ų | 138.2 | 84% | 0.84 | 68% | 0.681 | S | S | * | * | | | trans | -79.4 | 143 | 167.5 | 57.1 | 0 | 0 | 0 | 0 | 110 | I314 | I314-T316 PolarHBondContact O-N 2.83Š|
| 317 | R | 83.9 | Confident | 77.3 | Confident | 207 Ų | 207 | 140.5 Ų | 140.5 | 78% | 0.781 | 70% | 0.699 | S | S | * | * | | | trans | -129.5 | 131.7 | 169.7 | -66.6 | -172.2 | -179.7 | -167.3 | -0.3 | 108.1 | R319 | R317-R319 PolarHBondContact O-N 2.75Š|
| 318 | K | 81.4 | Confident | 75.1 | Confident | 215 Ų | 215 | 145 Ų | 145 | 94% | 0.935 | 71% | 0.713 | S | S | * | * | | | trans | -68.3 | 90.5 | 179.6 | -170.4 | 176.7 | -176.3 | 178.7 | 0 | 109.7 | K320 | K318-K320 PolarHBondContact O-N 2.8Š|
| 319 | R | 78.4 | Confident | 72.9 | Confident | 234 Ų | 234 | 145.7 Ų | 145.7 | 88% | 0.883 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 128.1 | 173.4 | -69 | -178.9 | 172.5 | -178.6 | -3.5 | 108.4 | R317 | R317-R319 PolarHBondContact O-N 2.75Š|
| 320 | K | 79.9 | Confident | 70.8 | Confident | 193 Ų | 193 | 146 Ų | 146 | 84% | 0.839 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 140.3 | 161.4 | -87.4 | 107.3 | 170.8 | -169.9 | 0 | 107.9 | K318 | K318-K320 PolarHBondContact O-N 2.8Š|
| 321 | P | 70.9 | Confident | 68.7 | Low | 109 Ų | 109 | 147 Ų | 147 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 140 | 172.7 | 26.9 | -33.7 | 0 | 0 | 0 | 109.3 | N323 | P321-N323 PolarHBondContact O-N 3.4Š|
| 322 | K | 68 | Low | 66.5 | Low | 202 Ų | 202 | 145 Ų | 145 | 88% | 0.878 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 117.9 | 168.2 | -75.6 | -171.5 | 171.6 | -169.7 | 0 | 107.6 | L324 | K322-L324 PolarHBondContact O-N 3.31Š|
| 323 | N | 51.9 | Low | 64.7 | Low | 139 Ų | 139 | 144.3 Ų | 144.3 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | -64.7 | 99.4 | 168.4 | -70.6 | -27.6 | 0 | 0 | 0 | 108.3 | P321 N325 | P321-N323 PolarHBondContact O-N 3.4Å; N323-N325 VanDerWaalsContact CA-OD1 3.28Å; N323-N325 WeakPolarHBondContact CA-OD1 3.34Å; N323-N325 WeakPolarHBondContact CB-OD1 3.21Å; N323-N325 PolarHBondContact O-N 3.5Å |
| 324 | L | 59.7 | Low | 62.3 | Low | 169 Ų | 169 | 148.3 Ų | 148.3 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | | | trans | -81.2 | 52.1 | -179.8 | -161.3 | 67.8 | 0 | 0 | 0 | 110.3 | K322 | K322-L324 PolarHBondContact O-N 3.31Š|
| 325 | N | 54.1 | Low | 59.8 | Low | 129 Ų | 129 | 147.5 Ų | 147.5 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | | | trans | -116.2 | 49.2 | -166.3 | -59.3 | 69.8 | 0 | 0 | 0 | 110.8 | N323 | N323-N325 VanDerWaalsContact CA-OD1 3.28Å; N323-N325 WeakPolarHBondContact CA-OD1 3.34Å; N323-N325 WeakPolarHBondContact CB-OD1 3.21Å; N323-N325 PolarHBondContact O-N 3.5Å |
| 326 | K | 53.7 | Low | 57.3 | Low | 206 Ų | 206 | 146.8 Ų | 146.8 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | | | trans | -129.8 | 120.3 | 164.9 | -146.5 | 74.3 | -177 | -179.5 | 0 | 108.8 | | |
| 327 | S | 47.1 | Very low | 55 | Low | 104 Ų | 104 | 148.3 Ų | 148.3 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -78.2 | 147.9 | -164.3 | 44.6 | 0 | 0 | 0 | 0 | 113.3 | T329 | S327-T329 PolarHBondContact O-N 3.34Š|
| 328 | K | 48.5 | Very low | 52.5 | Low | 200 Ų | 200 | 142.8 Ų | 142.8 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | | | trans | -50.2 | 121.7 | 158.7 | 174.7 | -177.9 | -179.7 | 178.5 | 0 | 110.7 | | |
| 329 | T | 44.6 | Very low | 50.7 | Low | 120 Ų | 120 | 140.1 Ų | 140.1 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | -105.9 | 139.3 | 161.5 | -55.4 | 0 | 0 | 0 | 0 | 107.7 | S327 | S327-T329 PolarHBondContact O-N 3.34Š|
| 330 | P | 48.1 | Very low | 49.6 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -75.2 | 176 | 177.2 | 31.3 | -35.2 | 0 | 0 | 0 | 113.5 | | |
| 331 | A | 46.9 | Very low | 47.9 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | | | trans | -64.4 | 173.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 332 | A | 43.3 | Very low | 46.4 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | | | cis | -146.2 | -136.3 | 25.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 333 | P | 47.9 | Very low | 44.9 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | | -130.6 | 163.8 | -106 | 40.2 | -23.1 | 0 | 0 | 0 | 118.2 | | |
| 334 | S | 36.3 | Very low | 44 | Very low | 126 Ų | 126 | 125 Ų | 125 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | | | trans | 68.7 | 144.2 | 152.4 | -60.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 335 | G | 35.4 | Very low | 42.8 | Very low | 70 Ų | 70 | 121.5 Ų | 121.5 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | trans | 97.9 | 106.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 336 | S | 36.9 | Very low | 41.9 | Very low | 105 Ų | 105 | 120.6 Ų | 120.6 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | | 89.3 | 108.5 | 52.2 | 72.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 337 | E | 38 | Very low | 41.1 | Very low | 169 Ų | 169 | 115.5 Ų | 115.5 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | 68.4 | 143.6 | 154.7 | -64 | -25.2 | 99 | 0 | 0 | 121.9 | | |
| 338 | S | 31.8 | Very low | 40.5 | Very low | 92 Ų | 92 | 117.7 Ų | 117.7 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | | | cis | -150.8 | 176.7 | -8.7 | -85.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 339 | L | 43.1 | Very low | 40.3 | Very low | 158 Ų | 158 | 112.8 Ų | 112.8 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | | | trans | -92.9 | 160 | 160.8 | -57.6 | 175.2 | 0 | 0 | 0 | 110.1 | | |
| 340 | P | 54.9 | Low | 40 | Very low | 125 Ų | 125 | 112.5 Ų | 112.5 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | | -141.8 | 155 | 79 | 38.5 | -23.8 | 0 | 0 | 0 | 115.5 | | |
| 341 | P | 45.5 | Very low | 39.6 | Very low | 114 Ų | 114 | 114.2 Ų | 114.2 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 148.5 | 160.6 | 34.9 | -32.1 | 0 | 0 | 0 | 111.4 | | |
| 342 | A | 38.7 | Very low | 39.1 | Very low | 104 Ų | 104 | 113 Ų | 113 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 147.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 343 | S | 35.6 | Very low | 38.6 | Very low | 133 Ų | 133 | 114.6 Ų | 114.6 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 150.9 | -171.8 | -48.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 344 | G | 33.7 | Very low | 37.8 | Very low | 84 Ų | 84 | 115.3 Ų | 115.3 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | | | trans | 162.9 | 92.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 345 | A | 35.6 | Very low | 37.8 | Very low | 96 Ų | 96 | 115.2 Ų | 115.2 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | | | trans | -115.5 | 162.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 346 | S | 33.4 | Very low | 37.8 | Very low | 109 Ų | 109 | 117.1 Ų | 117.1 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | trans | 73 | 125.5 | -173.2 | -50.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 347 | S | 36.7 | Very low | 37.7 | Very low | 100 Ų | 100 | 117.1 Ų | 117.1 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | cis | 67.6 | 133.5 | 48.8 | 89.3 | 0 | 0 | 0 | 0 | 112 | | |
| 348 | N | 35.1 | Very low | 37.5 | Very low | 149 Ų | 149 | 118 Ų | 118 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | cis | -151.1 | 167.3 | 13.1 | -123.2 | 0.4 | 0 | 0 | 0 | 114 | | |
| 349 | S | 45.2 | Very low | 37.5 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | | | trans | -16.7 | 146.1 | 156.5 | -39.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 350 | S | 38.1 | Very low | 37 | Very low | 115 Ų | 115 | 118.5 Ų | 118.5 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -130.9 | 122.6 | 141.7 | 50 | 0 | 0 | 0 | 0 | 107.7 | | |
| 351 | N | 40.1 | Very low | 36.3 | Very low | 149 Ų | 149 | 121.4 Ų | 121.4 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | | | | 73.1 | 146 | 60.4 | -71 | 8.4 | 0 | 0 | 0 | 112.8 | | |
| 352 | A | 35 | Very low | 36.3 | Very low | 75 Ų | 75 | 121.6 Ų | 121.6 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | | | cis | -142.3 | 153.9 | 19.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 353 | T | 34.5 | Very low | 36.2 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | | 43.4 | 136.9 | 106 | 74.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 354 | T | 30.6 | Very low | 36.1 | Very low | 129 Ų | 129 | 126 Ų | 126 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | | | | -137.3 | 153.5 | 51.1 | 39.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 355 | S | 35.1 | Very low | 36.3 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | | | | 80.5 | 157 | 60.6 | -148.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 356 | S | 35.9 | Very low | 36.6 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | | | trans | -99.6 | 178.5 | -160 | -165.1 | 0 | 0 | 0 | 0 | 115 | | |
| 357 | S | 34.4 | Very low | 37.4 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | | | trans | 82.6 | 157.2 | 167.2 | 64.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 358 | E | 34 | Very low | 37.2 | Very low | 188 Ų | 188 | 128.5 Ų | 128.5 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | | | trans | 70.4 | 148.5 | 177.3 | -59.6 | -170.7 | 162.7 | 0 | 0 | 117.3 | | |
| 359 | E | 32.6 | Very low | 37.1 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | cis | -156.7 | 161.6 | -33.4 | -142.5 | -152.5 | 27.8 | 0 | 0 | 111.1 | | |
| 360 | M | 31.8 | Very low | 36.5 | Very low | 104 Ų | 104 | 130 Ų | 130 | 51% | 0.512 | 75% | 0.748 | S | S | . | * | | | trans | 49 | 124.1 | 155 | -69.5 | -60.3 | 176.7 | 0 | 0 | 126.3 | | |
| 361 | R | 41.2 | Very low | 36.2 | Very low | 185 Ų | 185 | 128.6 Ų | 128.6 | 70% | 0.698 | 74% | 0.739 | S | S | * | * | | | | 73.1 | 168 | 128.9 | -69 | 170.9 | -174.7 | 155.1 | 5.3 | 120.4 | I363 | R361-I363 HydrophobicContact CG-CD1 3.92Š|
| 362 | P | 45.1 | Very low | 36.1 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | | | cis | -109.3 | 155.9 | -14.3 | 18.2 | 3.6 | 0 | 0 | 0 | 112.4 | | |
| 363 | I | 36.2 | Very low | 36 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | | | cis | 76.1 | 133.7 | 46.7 | -60 | 178.3 | 0 | 0 | 0 | 115.1 | R361 | R361-I363 HydrophobicContact CG-CD1 3.92Š|
| 364 | K | 34 | Very low | 35.8 | Very low | 185 Ų | 185 | 131 Ų | 131 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | | | trans | 116.7 | 133.1 | 166.4 | -173.9 | 160.8 | -170.4 | 162.3 | 0 | 113.1 | | |
| 365 | T | 37.5 | Very low | 36 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 61% | 0.613 | 73% | 0.732 | S | S | * | * | | | cis | -165.7 | 159.4 | -16.6 | 32.3 | 0 | 0 | 0 | 0 | 105.3 | | |
| 366 | E | 42.5 | Very low | 35.8 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | | | cis | -160.7 | -175.1 | 0.2 | -120.7 | 3.5 | 59.4 | 0 | 0 | 109.5 | | |
| 367 | P | 49.5 | Very low | 35.6 | Very low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | | | trans | -113.3 | 177.5 | -153.3 | 43.8 | -39.2 | 0 | 0 | 0 | 117.9 | | |
| 368 | G | 33.1 | Very low | 35.7 | Very low | 67 Ų | 67 | 131.5 Ų | 131.5 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | | | trans | 164.7 | 158.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 369 | L | 33 | Very low | 35.7 | Very low | 167 Ų | 167 | 129 Ų | 129 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | | | cis | 172 | 138.5 | -18.4 | -110.7 | 172.4 | 0 | 0 | 0 | 104.5 | | |
| 370 | S | 32 | Very low | 35.7 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 76% | 0.762 | 71% | 0.711 | S | S | * | * | | | trans | 63.1 | 142.8 | 175.8 | -68.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 371 | S | 31.5 | Very low | 35.8 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | | | cis | 93.5 | 118.4 | 29.9 | -175 | 0 | 0 | 0 | 0 | 114.2 | | |
| 372 | H | 38.1 | Very low | 35.5 | Very low | 143 Ų | 143 | 124.8 Ų | 124.8 | 66% | 0.662 | 72% | 0.722 | S | S | * | * | | | | 164.9 | 144 | 120.4 | -92.9 | -69.3 | 0 | 0 | 0 | 114.8 | | |
| 373 | Y | 33.4 | Very low | 35.1 | Very low | 198 Ų | 198 | 127.2 Ų | 127.2 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | | | trans | 39.5 | 153.7 | 156.9 | -62.3 | -69.2 | 0 | 0 | 0 | 122.1 | | |
| 374 | G | 30.5 | Very low | 35.2 | Very low | 56 Ų | 56 | 125.4 Ų | 125.4 | 58% | 0.577 | 72% | 0.721 | S | S | * | * | | | cis | 136.7 | 137.6 | -6.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 375 | H | 34.5 | Very low | 35.2 | Very low | 174 Ų | 174 | 123.4 Ų | 123.4 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | | | trans | 66.3 | 162.3 | 167.9 | -55.9 | -68.1 | 0 | 0 | 0 | 116.6 | | |
| 376 | S | 30.2 | Very low | 35 | Very low | 94 Ų | 94 | 124.2 Ų | 124.2 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | | | cis | -166.4 | 164.7 | -25.6 | -92.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 377 | S | 33.3 | Very low | 34.8 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | | | trans | 33.8 | 149.4 | 143.7 | -58.9 | 0 | 0 | 0 | 0 | 122.7 | | |
| 378 | S | 35.1 | Very low | 34.1 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | | | cis | -178.8 | 170.5 | -1.7 | 49.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 379 | V | 34.9 | Very low | 34.4 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | | | trans | 57.1 | 135.2 | 136.8 | 161.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 380 | S | 33.1 | Very low | 34.4 | Very low | 86 Ų | 86 | 120.4 Ų | 120.4 | 60% | 0.601 | 73% | 0.731 | S | S | * | * | | | cis | -171.9 | 179.9 | 23.5 | -141.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 381 | Q | 34 | Very low | 34.7 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | | | trans | 70.3 | 141.5 | 154.2 | -66.1 | 161.2 | 134.7 | 0 | 0 | 117.6 | | |
| 382 | T | 34.2 | Very low | 34.7 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | | | cis | 74.9 | 137.9 | 31.7 | 73.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 383 | F | 36.7 | Very low | 35.2 | Very low | 170 Ų | 170 | 122.4 Ų | 122.4 | 75% | 0.746 | 75% | 0.749 | S | S | * | * | | | cis | -164.1 | 175 | 18 | 35.3 | -111.9 | 0 | 0 | 0 | 112.9 | | |
| 384 | S | 38 | Very low | 35.1 | Very low | 105 Ų | 105 | 118 Ų | 118 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | | | trans | 70.9 | 163.2 | 157.5 | -51.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 385 | V | 33.6 | Very low | 35.4 | Very low | 142 Ų | 142 | 123.5 Ų | 123.5 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | | | cis | -131.6 | -173.1 | 11.8 | -70.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 386 | S | 34.3 | Very low | 35.5 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -117.9 | -176.1 | -162.5 | -50.5 | 0 | 0 | 0 | 0 | 116 | | |
| 387 | A | 38.5 | Very low | 36.5 | Very low | 85 Ų | 85 | 124.1 Ų | 124.1 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | | | trans | 82.6 | 159.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 388 | M | 33.2 | Very low | 36.6 | Very low | 161 Ų | 161 | 124.2 Ų | 124.2 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | | | cis | -150.7 | 161.4 | 6.7 | 35.2 | -91.6 | 132.6 | 0 | 0 | 112.8 | | |
| 389 | S | 39.9 | Very low | 36.6 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | 25.9 | 142.9 | 150.8 | -53.7 | 0 | 0 | 0 | 0 | 123.5 | | |
| 390 | G | 32.6 | Very low | 36.7 | Very low | 74 Ų | 74 | 126.5 Ų | 126.5 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | | | trans | -142.5 | 142.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 391 | H | 38.4 | Very low | 37 | Very low | 183 Ų | 183 | 126.7 Ų | 126.7 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | | | trans | -121.7 | 163.8 | -179.5 | -57.8 | -71.5 | 0 | 0 | 0 | 111.3 | | |
| 392 | G | 32 | Very low | 37 | Very low | 71 Ų | 71 | 127.7 Ų | 127.7 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | | | trans | -76.6 | -170.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 393 | P | 48.2 | Very low | 37.1 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | cis | -146.1 | 171.9 | 37 | 42 | -22.4 | 0 | 0 | 0 | 119.1 | | |
| 394 | S | 31.8 | Very low | 37 | Very low | 107 Ų | 107 | 130 Ų | 130 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | 18.1 | 131.8 | 145.2 | -163.6 | 0 | 0 | 0 | 0 | 123.4 | | |
| 395 | I | 36.3 | Very low | 36.7 | Very low | 171 Ų | 171 | 129.3 Ų | 129.3 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | | | | -155.8 | 153.7 | 120.3 | 27.5 | 174 | 0 | 0 | 0 | 111.8 | | |
| 396 | H | 36.5 | Very low | 37.2 | Very low | 174 Ų | 174 | 128.6 Ų | 128.6 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | trans | -145 | 160.3 | -177.3 | -131.7 | -47.9 | 0 | 0 | 0 | 108.7 | | |
| 397 | P | 52 | Low | 37.2 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | | | | -159.2 | 167 | 89.5 | 41.3 | -21.4 | 0 | 0 | 0 | 118.3 | | |
| 398 | V | 34.7 | Very low | 36.9 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 70% | 0.703 | 78% | 0.778 | S | S | * | * | | | trans | 53.7 | 122.6 | 138.5 | 173.4 | 0 | 0 | 0 | 0 | 119 | | |
| 399 | L | 35.9 | Very low | 36.9 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | | | | -137.5 | 152 | 65.8 | -86.5 | 168.6 | 0 | 0 | 0 | 116.7 | | |
| 400 | S | 37.4 | Very low | 36.6 | Very low | 111 Ų | 111 | 131 Ų | 131 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -85.4 | 174.3 | 174 | -59.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 401 | A | 38.8 | Very low | 36.6 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | | | cis | -177.7 | 170.5 | -29.7 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 402 | L | 34.2 | Very low | 37.3 | Very low | 180 Ų | 180 | 129.9 Ų | 129.9 | 94% | 0.942 | 78% | 0.78 | S | S | * | * | | | trans | -166.1 | 165.5 | 136.6 | -104.8 | 172.5 | 0 | 0 | 0 | 110 | | |
| 403 | K | 35.3 | Very low | 37.5 | Very low | 178 Ų | 178 | 132.5 Ų | 132.5 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | | | trans | -147 | 158.9 | -153.4 | 179.7 | 178 | 175.5 | -178.2 | 0 | 112.9 | | |
| 404 | L | 36.1 | Very low | 36.6 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | | | trans | 134 | 144 | 146.1 | -70.8 | 162.6 | 0 | 0 | 0 | 110.1 | | |
| 405 | S | 31.9 | Very low | 36.8 | Very low | 90 Ų | 90 | 135.8 Ų | 135.8 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | | | cis | 160.5 | 139 | -16 | 177.7 | 0 | 0 | 0 | 0 | 105.3 | | |
| 406 | P | 43.7 | Very low | 36.7 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -133.6 | 153.5 | 142.1 | 36.7 | -26.7 | 0 | 0 | 0 | 112.9 | | |
| 407 | Q | 34.1 | Very low | 37.5 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | | | trans | -121 | 157.4 | 166.5 | -89.2 | -168 | -21.2 | 0 | 0 | 109.9 | Y409 | Q407-Y409 HydrophobicContact CB-CE1 4.16Å; Q407-Y409 HydrophobicContact CB-CE2 4.39Å; Q407-Y409 WeakPolarHBondContact CB-OH 3.34Å; Q407-Y409 PolarHBondContact OE1-OH 2.78Å |
| 408 | G | 31.6 | Very low | 36.7 | Very low | 69 Ų | 69 | 133.7 Ų | 133.7 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | -121.8 | 161.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 409 | Y | 32.6 | Very low | 36.7 | Very low | 200 Ų | 200 | 134.7 Ų | 134.7 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | -136.4 | 159 | -175.7 | -49.5 | -71.8 | 0 | 0 | 0 | 110.1 | Q407 | Q407-Y409 HydrophobicContact CB-CE1 4.16Å; Q407-Y409 HydrophobicContact CB-CE2 4.39Å; Q407-Y409 WeakPolarHBondContact CB-OH 3.34Å; Q407-Y409 PolarHBondContact OE1-OH 2.78Å |
| 410 | A | 34.8 | Very low | 36.4 | Very low | 103 Ų | 103 | 133 Ų | 133 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | | | trans | -103.3 | 164.8 | -170 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 411 | S | 32.8 | Very low | 36.4 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | -72 | 171 | 179.7 | -40.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 412 | P | 51.8 | Low | 36.2 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | | | | -150.2 | 149.2 | 91.8 | 38.2 | -20.7 | 0 | 0 | 0 | 118.6 | | |
| 413 | V | 36.2 | Very low | 36.2 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | 36.9 | 126.4 | 138.9 | -178.3 | 0 | 0 | 0 | 0 | 122.3 | | |
| 414 | S | 31 | Very low | 35.9 | Very low | 121 Ų | 121 | 138 Ų | 138 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -155.9 | 166.9 | 132.6 | -85.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 415 | Q | 34.9 | Very low | 35.9 | Very low | 181 Ų | 181 | 135.9 Ų | 135.9 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | -90.5 | 175.5 | -166.9 | -52.7 | 166.5 | 1.6 | 0 | 0 | 111.6 | | |
| 416 | S | 34.4 | Very low | 36.1 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | | | cis | -153.8 | -166.4 | 13.2 | -131 | 0 | 0 | 0 | 0 | 110.3 | | |
| 417 | P | 52.7 | Low | 35.7 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 69% | 0.688 | 81% | 0.811 | S | S | * | * | | | trans | -116.5 | 172.1 | -140.2 | 44.9 | -35.6 | 0 | 0 | 0 | 117.3 | | |
| 418 | Q | 35.1 | Very low | 35.7 | Very low | 196 Ų | 196 | 141 Ų | 141 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | | | trans | -143.4 | 161.5 | 139.5 | -84.5 | -143.6 | -18 | 0 | 0 | 111.2 | | |
| 419 | T | 34.4 | Very low | 36.1 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | | | trans | -115.7 | 138.9 | -171.6 | 48.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 420 | S | 31.2 | Very low | 36.4 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | | | trans | -166.1 | 151.2 | 140.3 | -164.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 421 | S | 35.7 | Very low | 36.6 | Very low | 103 Ų | 103 | 144.4 Ų | 144.4 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | | | trans | -119.8 | 141.5 | -172.1 | 55 | 0 | 0 | 0 | 0 | 112.9 | | |
| 422 | K | 36.5 | Very low | 36.7 | Very low | 207 Ų | 207 | 143.4 Ų | 143.4 | 90% | 0.9 | 81% | 0.81 | S | S | * | * | | | trans | -169 | 126.9 | 141.1 | -103.6 | 153.5 | -173.3 | -179.3 | 0 | 109.7 | | |
| 423 | Q | 33.5 | Very low | 36.2 | Very low | 188 Ų | 188 | 144.9 Ų | 144.9 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | | | trans | -117.1 | 137.5 | 166.1 | -72.7 | -179.4 | -49.5 | 0 | 0 | 107.2 | | |
| 424 | D | 29.2 | Very low | 36.4 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | | | trans | -112.8 | 126.3 | 156.6 | -81.2 | -68.7 | 0 | 0 | 0 | 107.2 | | |
| 425 | S | 35.4 | Very low | 36.9 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | trans | -127 | 129.5 | -173.8 | -171.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 426 | W | 37.3 | Very low | 37.2 | Very low | 238 Ų | 238 | 140.5 Ų | 140.5 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | -78.3 | 119.9 | 176.4 | -77.4 | 74.9 | 0 | 0 | 0 | 110.7 | | |
| 427 | N | 34.9 | Very low | 37.7 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | | | trans | -177 | 115.8 | 131.4 | -107.2 | -79.4 | 0 | 0 | 0 | 114.3 | | |
| 428 | S | 33.3 | Very low | 37.4 | Very low | 91 Ų | 91 | 145.4 Ų | 145.4 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | | | | 58.5 | 146.1 | 119.1 | -47 | 0 | 0 | 0 | 0 | 123.7 | | |
| 429 | L | 40.4 | Very low | 38.2 | Very low | 166 Ų | 166 | 144 Ų | 144 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | | | trans | 80.6 | 142.7 | 160.9 | -54.1 | -178.3 | 0 | 0 | 0 | 116.3 | | |
| 430 | V | 38.1 | Very low | 38.9 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | | | cis | -167.8 | 172.2 | -10.7 | 106.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 431 | L | 40 | Very low | 40 | Very low | 165 Ų | 165 | 145 Ų | 145 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | | | trans | 69.4 | 158.4 | 172.9 | -80.4 | 156.2 | 0 | 0 | 0 | 116.2 | | |
| 432 | A | 35.8 | Very low | 40.2 | Very low | 93 Ų | 93 | 147.1 Ų | 147.1 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | | | cis | -136.5 | -173.6 | 8.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 433 | D | 40 | Very low | 40.4 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | | | trans | -124.2 | 179.7 | -173.5 | -177.7 | 26.3 | 0 | 0 | 0 | 111.5 | | |
| 434 | S | 41.3 | Very low | 40.8 | Very low | 89 Ų | 89 | 141.4 Ų | 141.4 | 62% | 0.622 | 82% | 0.818 | S | S | * | * | | | trans | 98.5 | 154 | 162.2 | 78.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 435 | H | 41.2 | Very low | 41.5 | Very low | 186 Ų | 186 | 140 Ų | 140 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | | | trans | 66.1 | 144.9 | -171.2 | -61.9 | -91.8 | 0 | 0 | 0 | 115 | | |
| 436 | G | 40.6 | Very low | 41.8 | Very low | 62 Ų | 62 | 141.8 Ų | 141.8 | 64% | 0.639 | 82% | 0.816 | S | S | * | * | | | cis | 160.4 | 149.8 | 5.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 437 | D | 44.4 | Very low | 42.1 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | | | cis | -152.4 | -177.6 | 21.1 | -73.1 | -45.7 | 0 | 0 | 0 | 112.6 | | |
| 438 | I | 48.2 | Very low | 42.7 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 80% | 0.795 | 81% | 0.814 | S | S | * | * | | | trans | -98.2 | 138.5 | 173 | -64.2 | 159.5 | 0 | 0 | 0 | 109.7 | | |
| 439 | I | 50.8 | Low | 43.4 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | | | trans | -146.9 | 138.3 | 137.9 | -75.8 | -154.6 | 0 | 0 | 0 | 111.5 | | |
| 440 | T | 50.1 | Low | 43.6 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 73% | 0.73 | 82% | 0.824 | S | S | * | * | | | trans | -52.7 | 149.5 | 174.3 | -45.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 441 | A | 53.2 | Low | 44.1 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 100% | 1.388 | 84% | 0.836 | S | S | * | * | | | trans | -142.4 | 0 | 135.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |