| 1 | M | 45.7 | Very low | 45.9 | Very low | 237 Ų | 237 | 149.5 Ų | 149.5 | 100% | 1.167 | 85% | 0.847 | S | S | * | * | | | | 0 | 96.1 | 0 | -60.8 | 175 | -168.8 | 0 | 0 | 106.5 | | |
| 2 | T | 44.8 | Very low | 45.2 | Very low | 140 Ų | 140 | 152.5 Ų | 152.5 | 86% | 0.859 | 85% | 0.845 | S | S | * | * | | | trans | -152.7 | 96 | -167.6 | 25 | 0 | 0 | 0 | 0 | 108 | | |
| 3 | T | 48 | Very low | 44.9 | Very low | 132 Ų | 132 | 155.1 Ų | 155.1 | 81% | 0.81 | 85% | 0.847 | S | S | * | * | | | trans | -129.5 | 101.5 | 179 | 46.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 4 | A | 43.9 | Very low | 44.8 | Very low | 103 Ų | 103 | 156.2 Ų | 156.2 | 85% | 0.851 | 85% | 0.846 | S | S | * | * | | | trans | -71.1 | 138.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 5 | V | 51.9 | Low | 45 | Very low | 132 Ų | 132 | 154.2 Ų | 154.2 | 80% | 0.8 | 83% | 0.833 | S | S | * | * | | | trans | -108.9 | 118 | 173.4 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 6 | V | 44.3 | Very low | 44.7 | Very low | 131 Ų | 131 | 154.4 Ų | 154.4 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 130.9 | 175.5 | 175.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 7 | S | 45.8 | Very low | 44.5 | Very low | 107 Ų | 107 | 157.5 Ų | 157.5 | 75% | 0.748 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 126.1 | 172.1 | -62.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 8 | P | 56.3 | Low | 44.4 | Very low | 119 Ų | 119 | 159.6 Ų | 159.6 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 129.1 | 173.6 | 32.1 | -31 | 0 | 0 | 0 | 111.9 | | |
| 9 | F | 39.6 | Very low | 44 | Very low | 195 Ų | 195 | 160.2 Ų | 160.2 | 86% | 0.855 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 146.6 | 154.8 | -94.1 | -114.2 | 0 | 0 | 0 | 109.8 | | |
| 10 | F | 46.2 | Very low | 43.7 | Very low | 206 Ų | 206 | 159.3 Ų | 159.3 | 90% | 0.904 | 84% | 0.838 | S | S | * | * | | | trans | -163.2 | 143.4 | 140.4 | -98.3 | -60.6 | 0 | 0 | 0 | 112.7 | | |
| 11 | D | 38 | Very low | 43.3 | Very low | 142 Ų | 142 | 160.4 Ų | 160.4 | 76% | 0.759 | 84% | 0.836 | S | S | * | * | | | trans | -72.2 | 159.4 | -178.1 | -65.8 | -80 | 0 | 0 | 0 | 115.1 | | |
| 12 | F | 37.7 | Very low | 42.9 | Very low | 186 Ų | 186 | 157 Ų | 157 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | | | trans | -139.5 | 66.1 | 164.7 | -151.6 | -89.3 | 0 | 0 | 0 | 112.7 | I15 | F12-I15 HydrophobicContact CE1-CD1 3.99Å; F12-I15 HydrophobicContact CZ-CD1 3.79Å |
| 13 | E | 41.8 | Very low | 42.2 | Very low | 186 Ų | 186 | 156.4 Ų | 156.4 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | | | trans | -121.3 | 61.5 | 172.8 | -161.7 | -165.2 | -178 | 0 | 0 | 112.3 | | |
| 14 | M | 43.2 | Very low | 41.6 | Very low | 171 Ų | 171 | 159.6 Ų | 159.6 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | | | trans | -155.8 | 41.3 | 172.2 | -146.2 | 173.1 | 55.9 | 0 | 0 | 119.3 | | |
| 15 | I | 47.5 | Very low | 41.2 | Very low | 126 Ų | 126 | 162.7 Ų | 162.7 | 65% | 0.646 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -138 | 93.2 | 160.5 | -57.4 | 87.2 | 0 | 0 | 0 | 111.9 | F12 | F12-I15 HydrophobicContact CE1-CD1 3.99Å; F12-I15 HydrophobicContact CZ-CD1 3.79Å |
| 16 | N | 40.7 | Very low | 40.6 | Very low | 157 Ų | 157 | 163.3 Ų | 163.3 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | | | | 173 | 70.4 | 125.3 | -107.3 | -32.9 | 0 | 0 | 0 | 112.7 | | |
| 17 | K | 41.8 | Very low | 40.2 | Very low | 207 Ų | 207 | 164 Ų | 164 | 90% | 0.9 | 82% | 0.815 | S | S | * | * | | | trans | -136.6 | 69.1 | 172.6 | -162.4 | 175.2 | -175 | 175.5 | 0 | 112.3 | | |
| 18 | K | 42.1 | Very low | 39.8 | Very low | 196 Ų | 196 | 167.2 Ų | 167.2 | 85% | 0.852 | 82% | 0.823 | S | S | * | * | | | trans | -161.8 | 99.4 | 164.3 | -103.6 | 161 | -172.1 | 176.1 | 0 | 109.5 | | |
| 19 | N | 37.3 | Very low | 38.7 | Very low | 171 Ų | 171 | 165.1 Ų | 165.1 | 91% | 0.914 | 82% | 0.823 | S | S | * | * | | | trans | 178 | 103.9 | 136 | -89.6 | -13.8 | 0 | 0 | 0 | 109.6 | | |
| 20 | N | 37.2 | Very low | 38.4 | Very low | 142 Ų | 142 | 159.6 Ų | 159.6 | 76% | 0.759 | 82% | 0.821 | S | S | * | * | | | trans | -150.7 | 104.4 | 172.1 | 179.2 | 4.1 | 0 | 0 | 0 | 108.7 | | |
| 21 | K | 35.1 | Very low | 38.6 | Very low | 182 Ų | 182 | 155.8 Ų | 155.8 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | | | trans | 179.6 | 126.4 | 133 | -103.1 | 154.4 | 62.9 | 168.8 | 0 | 114.1 | | |
| 22 | F | 37.7 | Very low | 38.6 | Very low | 167 Ų | 167 | 157.6 Ų | 157.6 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | | | trans | 49.2 | 126.4 | 132.2 | -80.8 | -109.3 | 0 | 0 | 0 | 121.5 | Y24 | F22-Y24 HydrophobicContact CD1-CD2 4.46Å; F22-Y24 HydrophobicContact CE1-CD2 4.44Å |
| 23 | S | 30.8 | Very low | 39.2 | Very low | 127 Ų | 127 | 154.1 Ų | 154.1 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | | | | -149.3 | 130.9 | 129.8 | -83.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 24 | Y | 35.7 | Very low | 38.9 | Very low | 199 Ų | 199 | 151.6 Ų | 151.6 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | | | trans | -112 | 134.2 | 167.5 | -102.2 | -92.3 | 0 | 0 | 0 | 107 | F22 | F22-Y24 HydrophobicContact CD1-CD2 4.46Å; F22-Y24 HydrophobicContact CE1-CD2 4.44Å |
| 25 | N | 35.6 | Very low | 38.4 | Very low | 167 Ų | 167 | 148.9 Ų | 148.9 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | | | trans | -171.3 | 162.1 | 136.6 | -107.9 | -27.6 | 0 | 0 | 0 | 113.7 | | |
| 26 | N | 38.7 | Very low | 38 | Very low | 146 Ų | 146 | 149.5 Ų | 149.5 | 78% | 0.781 | 82% | 0.821 | S | S | * | * | | | trans | -98.6 | 156.2 | -171.2 | -87.7 | -67.1 | 0 | 0 | 0 | 114.6 | | |
| 27 | N | 36.4 | Very low | 38.6 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | | | trans | 2.5 | 137.8 | 152.3 | -94.9 | -65.7 | 0 | 0 | 0 | 120.7 | | |
| 28 | L | 37.2 | Very low | 38.1 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | | | | -174.4 | 142.3 | 110.5 | -118.4 | 106.6 | 0 | 0 | 0 | 112.8 | | |
| 29 | G | 33.4 | Very low | 38 | Very low | 75 Ų | 75 | 141.4 Ų | 141.4 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | | | trans | 100.9 | 119.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 30 | G | 32.8 | Very low | 37.8 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -89.2 | -165.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 31 | P | 51.2 | Low | 38 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | cis | -135.8 | -174.1 | 26.9 | 40.6 | -21.3 | 0 | 0 | 0 | 117.2 | | |
| 32 | H | 36.7 | Very low | 38 | Very low | 179 Ų | 179 | 135 Ų | 135 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | | | trans | -37.2 | 165.3 | 167.4 | -64.5 | -75.1 | 0 | 0 | 0 | 117.3 | | |
| 33 | P | 51 | Low | 38.1 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | | | cis | -152.9 | 177.4 | 36.9 | 45.9 | -24.4 | 0 | 0 | 0 | 121.5 | | |
| 34 | V | 35.3 | Very low | 39.2 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | | | trans | 12.7 | 133.1 | 166 | -95.5 | 0 | 0 | 0 | 0 | 122.6 | | |
| 35 | S | 32.3 | Very low | 39.1 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | | 175.4 | 150.3 | 104.7 | -74.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 36 | V | 39.8 | Very low | 39.2 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | | | trans | -152 | 162.1 | 178.8 | 174.8 | 0 | 0 | 0 | 0 | 106.1 | | |
| 37 | P | 52.2 | Low | 39 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | | | cis | -121.3 | -178 | -16.7 | 31.5 | -12.8 | 0 | 0 | 0 | 113.7 | | |
| 38 | C | 31.2 | Very low | 39.1 | Very low | 136 Ų | 136 | 124.2 Ų | 124.2 | 92% | 0.919 | 80% | 0.797 | S | S | * | * | | | trans | -142.2 | 122 | 150.1 | -77.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 39 | T | 40 | Very low | 39.3 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | | | trans | -87.8 | 149.4 | 165.8 | 42.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 40 | G | 32.8 | Very low | 39.4 | Very low | 81 Ų | 81 | 122.6 Ų | 122.6 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | | | trans | -169.2 | 113.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 41 | T | 42.2 | Very low | 39.7 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 77% | 0.767 | 80% | 0.8 | S | S | * | * | | | trans | -84.8 | 154.5 | 176.9 | 45.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 42 | N | 34.4 | Very low | 39.3 | Very low | 155 Ų | 155 | 125.7 Ų | 125.7 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | | | | 169 | 147.3 | 117.8 | -88.9 | -57.3 | 0 | 0 | 0 | 113.8 | | |
| 43 | V | 41.4 | Very low | 40 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | -111.1 | 159.2 | 161.1 | -131.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 44 | P | 53 | Low | 39.4 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | | | | -135 | -152.4 | 64.9 | 33.5 | -9.9 | 0 | 0 | 0 | 111.3 | | |
| 45 | L | 32.7 | Very low | 39.9 | Very low | 158 Ų | 158 | 130 Ų | 130 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | cis | -154.2 | 173.5 | 10.3 | -167.1 | 53.1 | 0 | 0 | 0 | 112.8 | | |
| 46 | S | 38.4 | Very low | 40.1 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 62% | 0.622 | 80% | 0.798 | S | S | * | * | | | trans | -73.1 | 149.7 | -174 | -32.6 | 0 | 0 | 0 | 0 | 118.4 | | |
| 47 | N | 34.2 | Very low | 40.3 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | | | | 168.6 | 133.1 | 105 | -101.4 | 14.1 | 0 | 0 | 0 | 112 | | |
| 48 | A | 39.3 | Very low | 39.6 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 69% | 0.686 | 81% | 0.806 | S | S | * | * | | | | 58.2 | 132 | 100.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 49 | T | 40.3 | Very low | 39.6 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | | | cis | -158.3 | 149.2 | 27.1 | 1.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 50 | G | 35.9 | Very low | 39.6 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | | 98.4 | 108.2 | 63.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 51 | S | 39.4 | Very low | 40.5 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | | | trans | -162.2 | 133.6 | 152 | -165.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 52 | L | 43.8 | Very low | 40.2 | Very low | 139 Ų | 139 | 129.2 Ų | 129.2 | 73% | 0.728 | 79% | 0.788 | S | S | * | * | | | trans | -119.5 | 134.9 | -177.2 | -176.3 | 179.5 | 0 | 0 | 0 | 105.9 | | |
| 53 | L | 49.7 | Very low | 40.4 | Very low | 174 Ų | 174 | 130.4 Ų | 130.4 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | | | trans | -159.4 | 153.7 | 147.8 | -89.6 | -158.6 | 0 | 0 | 0 | 112.2 | | |
| 54 | D | 39.9 | Very low | 40.1 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 65% | 0.652 | 79% | 0.787 | S | S | * | * | | | trans | -119.7 | 173.6 | -163.2 | 169.6 | 41.9 | 0 | 0 | 0 | 111.4 | | |
| 55 | R | 44.6 | Very low | 39.2 | Very low | 219 Ų | 219 | 128.3 Ų | 128.3 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | | | trans | 81.2 | 145.2 | 167 | -43.9 | -175.7 | 170.1 | 178.4 | -13.8 | 115.6 | | |
| 56 | K | 37.2 | Very low | 39.3 | Very low | 194 Ų | 194 | 125.9 Ų | 125.9 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | | | cis | -156 | 162.7 | 23.1 | 63.1 | -160.7 | 171.9 | -171 | 0 | 112.4 | | |
| 57 | A | 42.9 | Very low | 39.3 | Very low | 98 Ų | 98 | 131 Ų | 131 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -90.2 | 142.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 58 | V | 37.4 | Very low | 39.3 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | | | trans | -165 | 149.1 | 154.4 | -121 | 0 | 0 | 0 | 0 | 106.7 | | |
| 59 | G | 32.5 | Very low | 39.1 | Very low | 67 Ų | 67 | 139.5 Ų | 139.5 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | cis | 173.4 | 146.6 | -8.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 60 | S | 40.3 | Very low | 39 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | | | trans | -74.9 | 154.3 | -177.3 | -52.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 61 | P | 50.1 | Low | 39 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | | | | -135.9 | 157.1 | 108.5 | 37.8 | -29 | 0 | 0 | 0 | 113.8 | | |
| 62 | A | 36.8 | Very low | 38.7 | Very low | 84 Ų | 84 | 146.3 Ų | 146.3 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | | | trans | -95.4 | 145.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 63 | M | 38 | Very low | 38.7 | Very low | 180 Ų | 180 | 146.7 Ų | 146.7 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | | 172.3 | 152.5 | 127.4 | 51.1 | -148.9 | 136.1 | 0 | 0 | 114.7 | | |
| 64 | A | 34.7 | Very low | 38.1 | Very low | 88 Ų | 88 | 143.9 Ų | 143.9 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | 72.2 | 101.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 65 | S | 33.9 | Very low | 37.8 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | 36.6 | 139.8 | 133.4 | 59.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 66 | V | 36.6 | Very low | 37.5 | Very low | 108 Ų | 108 | 139 Ų | 139 | 66% | 0.655 | 80% | 0.798 | S | S | * | * | | | | -166.6 | 141.1 | 69.6 | 160.4 | 0 | 0 | 0 | 0 | 112 | | |
| 67 | F | 38.1 | Very low | 37.8 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | | | trans | 47.7 | 113.4 | 166.5 | -55.3 | -43.4 | 0 | 0 | 0 | 122.2 | | |
| 68 | H | 34.7 | Very low | 37.4 | Very low | 190 Ų | 190 | 144.4 Ų | 144.4 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | | | trans | -109.5 | 133.4 | 147.4 | -93.9 | 36.2 | 0 | 0 | 0 | 110.2 | R70 | H68-R70 PolarHBondContact O-N 3.01Š|
| 69 | R | 33.5 | Very low | 37.3 | Very low | 224 Ų | 224 | 142.3 Ų | 142.3 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | | | trans | -83.5 | 107.4 | -178.6 | -175.4 | -179.1 | -66.1 | -155.5 | -0.2 | 110.6 | | |
| 70 | R | 37.9 | Very low | 37.4 | Very low | 224 Ų | 224 | 145.7 Ų | 145.7 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | -99.1 | 129.6 | 166.7 | -69.7 | -174.9 | -179.5 | -113.6 | 2.2 | 110.1 | H68 | H68-R70 PolarHBondContact O-N 3.01Š|
| 71 | H | 37.3 | Very low | 37.1 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -96.9 | 96.9 | 161.3 | -72.2 | -78.3 | 0 | 0 | 0 | 108.4 | | |
| 72 | S | 32.4 | Very low | 36.7 | Very low | 99 Ų | 99 | 148.5 Ų | 148.5 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | | | trans | -92.9 | 128.5 | 166 | -66.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 73 | V | 43.7 | Very low | 36.8 | Very low | 148 Ų | 148 | 153.2 Ų | 153.2 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | | | trans | -126.2 | 105.4 | 158 | -76.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 74 | S | 37.1 | Very low | 36.9 | Very low | 114 Ų | 114 | 152.2 Ų | 152.2 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | trans | -95 | 127.3 | 167.6 | -61.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 75 | S | 33.4 | Very low | 37 | Very low | 108 Ų | 108 | 156.3 Ų | 156.3 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | -163.5 | 99.1 | 155.3 | -92.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 76 | T | 38.2 | Very low | 37 | Very low | 131 Ų | 131 | 155.6 Ų | 155.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | | 74.6 | 112.8 | 110.8 | 55.9 | 0 | 0 | 0 | 0 | 116.1 | F78 | T76-F78 PolarHBondContact O-N 3.2Š|
| 77 | K | 44.9 | Very low | 37.1 | Very low | 221 Ų | 221 | 158.7 Ų | 158.7 | 96% | 0.961 | 81% | 0.806 | S | S | * | * | | | trans | -71.3 | 120.2 | 164.7 | -56.9 | 174.4 | -177.1 | 177.1 | 0 | 108.1 | | |
| 78 | F | 34.4 | Very low | 37 | Very low | 184 Ų | 184 | 158.3 Ų | 158.3 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | | | trans | -114.6 | 117.3 | 169.3 | -168.1 | -100.8 | 0 | 0 | 0 | 109.4 | T76 | T76-F78 PolarHBondContact O-N 3.2Š|
| 79 | S | 35.2 | Very low | 36.9 | Very low | 105 Ų | 105 | 155.8 Ų | 155.8 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | -97.4 | 170.2 | 171.1 | -170.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 80 | Q | 34.3 | Very low | 37 | Very low | 137 Ų | 137 | 151.8 Ų | 151.8 | 64% | 0.64 | 80% | 0.802 | S | S | * | * | | | trans | 77.5 | 100 | 168.5 | -159.3 | 168.2 | 8.5 | 0 | 0 | 116.2 | | |
| 81 | N | 34.3 | Very low | 36.8 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -111.7 | 95.9 | 151.6 | -96.3 | -56.7 | 0 | 0 | 0 | 108.5 | | |
| 82 | Q | 42 | Very low | 36.6 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | | | trans | -106.9 | 112.2 | 151.5 | -76.4 | -172.4 | 15.3 | 0 | 0 | 106.8 | | |
| 83 | F | 38.6 | Very low | 36.7 | Very low | 184 Ų | 184 | 148.3 Ų | 148.3 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | trans | -137.2 | 99.4 | 163.6 | -82.8 | -68.7 | 0 | 0 | 0 | 111.3 | | |
| 84 | L | 39.1 | Very low | 36.2 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | 12.5 | 116 | 145.3 | -59.8 | 172 | 0 | 0 | 0 | 118 | S86 | L84-S86 PolarHBondContact O-N 3Š|
| 85 | N | 37.3 | Very low | 36.2 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | | | trans | -66.9 | 120.1 | 148.9 | -80.8 | -46.5 | 0 | 0 | 0 | 109.3 | | |
| 86 | S | 32.8 | Very low | 36.2 | Very low | 94 Ų | 94 | 149.5 Ų | 149.5 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | | | trans | -157.7 | 95.6 | 158.7 | -143.6 | 0 | 0 | 0 | 0 | 111.8 | L84 | L84-S86 PolarHBondContact O-N 3Š|
| 87 | L | 38.8 | Very low | 36 | Very low | 173 Ų | 173 | 149 Ų | 149 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | | | trans | -125.2 | 126 | 147 | -119.2 | 95 | 0 | 0 | 0 | 108.3 | | |
| 88 | K | 36.4 | Very low | 35.4 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 81% | 0.809 | 78% | 0.777 | S | S | * | * | | | trans | -86.4 | 130.2 | 174.2 | -58.9 | 170.3 | -179 | 176.5 | 0 | 108.1 | | |
| 89 | T | 33.5 | Very low | 35.5 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | | | trans | -129.2 | 144.7 | 152.1 | 44.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 90 | V | 35.9 | Very low | 35.3 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | | | trans | -91.5 | 147.5 | -158.1 | -164.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 91 | E | 32.6 | Very low | 35.6 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | | | trans | -39.1 | 144.3 | 169.3 | -73.5 | -75.7 | 130.5 | 0 | 0 | 115.1 | | |
| 92 | H | 33.6 | Very low | 35.6 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | | | trans | -154.9 | 89 | 134.1 | -118.8 | -75.2 | 0 | 0 | 0 | 112.3 | | |
| 93 | S | 34.5 | Very low | 35.1 | Very low | 77 Ų | 77 | 134.9 Ų | 134.9 | 54% | 0.538 | 80% | 0.803 | S | S | . | * | | | trans | 37.8 | 114.8 | 137.6 | 61.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 94 | S | 34 | Very low | 35.1 | Very low | 102 Ų | 102 | 131.5 Ų | 131.5 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | | | | 168.8 | 107.4 | 111.5 | -74.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 95 | L | 35.4 | Very low | 35 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | | 92.6 | 123.6 | 91.6 | -78.3 | 178.9 | 0 | 0 | 0 | 115.4 | | |
| 96 | I | 34.6 | Very low | 35.4 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | | | trans | 88.8 | 103.2 | 146.4 | -60.7 | 160 | 0 | 0 | 0 | 119.7 | | |
| 97 | S | 33.8 | Very low | 35.6 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | 70 | 139.6 | 135.3 | -61.7 | 0 | 0 | 0 | 0 | 124.1 | | |
| 98 | G | 32.5 | Very low | 36.3 | Very low | 79 Ų | 79 | 131.7 Ų | 131.7 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | | | | 125.6 | 109.1 | 127.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 99 | A | 36.4 | Very low | 37 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 93% | 0.934 | 79% | 0.792 | S | S | * | * | | | trans | -78.9 | 151.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 100 | G | 30.6 | Very low | 37.8 | Very low | 77 Ų | 77 | 130.1 Ų | 130.1 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | 169.4 | 103.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 101 | N | 40.5 | Very low | 38.6 | Very low | 180 Ų | 180 | 135.2 Ų | 135.2 | 96% | 0.963 | 80% | 0.798 | S | S | * | * | | | trans | -78.2 | 126.6 | 161.7 | -93.1 | -3 | 0 | 0 | 0 | 109.4 | | |
| 102 | A | 34.4 | Very low | 39.6 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | -152.6 | 106.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 103 | S | 32.3 | Very low | 40.6 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | | | trans | 28.1 | 127.8 | 137.8 | -49.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 104 | S | 38.6 | Very low | 41 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | | | trans | 48.4 | 107 | 136.8 | -60.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 105 | S | 36.3 | Very low | 41.9 | Very low | 119 Ų | 119 | 149.3 Ų | 149.3 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | | | trans | -136.7 | 117.2 | 147.6 | -76.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 106 | N | 46 | Very low | 42.3 | Very low | 145 Ų | 145 | 147 Ų | 147 | 78% | 0.775 | 83% | 0.829 | S | S | * | * | | | trans | -66.4 | 133.4 | 171 | -65.2 | -78.8 | 0 | 0 | 0 | 108.9 | | |
| 107 | N | 38 | Very low | 42.5 | Very low | 140 Ų | 140 | 149.7 Ų | 149.7 | 75% | 0.749 | 84% | 0.836 | S | S | * | * | | | trans | -150.4 | 122.7 | 152.7 | -92.3 | -36 | 0 | 0 | 0 | 109.8 | E109 | N107-E109 PolarHBondContact O-N 3.31Š|
| 108 | K | 53.4 | Low | 43 | Very low | 199 Ų | 199 | 150.3 Ų | 150.3 | 87% | 0.865 | 84% | 0.841 | S | S | * | * | | | trans | -100.3 | 51.7 | -168.6 | -76.1 | 177.3 | 173.2 | 170.7 | 0 | 111.3 | | |
| 109 | E | 51.1 | Low | 43.4 | Very low | 147 Ų | 147 | 155.5 Ų | 155.5 | 69% | 0.687 | 84% | 0.844 | S | S | * | * | | | trans | -148.7 | 67 | -168.8 | 43.5 | -139.4 | 96 | 0 | 0 | 116.1 | N107 | N107-E109 PolarHBondContact O-N 3.31Š|
| 110 | T | 50 | Low | 43.6 | Very low | 144 Ų | 144 | 157.4 Ų | 157.4 | 88% | 0.883 | 84% | 0.844 | S | S | * | * | | | trans | -147.3 | 26.4 | 160.8 | 40.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 111 | R | 52.4 | Low | 44.1 | Very low | 246 Ų | 246 | 157.2 Ų | 157.2 | 93% | 0.928 | 84% | 0.842 | S | S | * | * | | | trans | -101.8 | 33 | 176.6 | -77.4 | -168.3 | 175.2 | -177.1 | 0.7 | 114.5 | | |
| 112 | L | 53.4 | Low | 44.3 | Very low | 166 Ų | 166 | 158.2 Ų | 158.2 | 87% | 0.869 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -134.1 | 42.1 | -172.2 | -71.3 | 170.5 | 0 | 0 | 0 | 114.1 | | |
| 113 | R | 53.7 | Low | 44.9 | Very low | 245 Ų | 245 | 165.4 Ų | 165.4 | 93% | 0.925 | 85% | 0.848 | S | S | * | * | S | Bend | trans | -157.9 | 25.3 | 166.3 | -133.8 | 165.7 | 176.9 | 166.1 | -3.1 | 120 | | |
| 114 | D | 43 | Very low | 45.7 | Very low | 161 Ų | 161 | 168 Ų | 168 | 86% | 0.861 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -146.1 | 64 | 173.3 | -142.6 | -62.8 | 0 | 0 | 0 | 113.1 | | |
| 115 | R | 52.9 | Low | 46.1 | Very low | 245 Ų | 245 | 170.2 Ų | 170.2 | 93% | 0.925 | 85% | 0.854 | S | S | * | * | | | trans | -154 | 37.2 | 176.4 | -145.8 | 168.6 | 175.8 | 116.7 | -4.5 | 115.6 | | |
| 116 | S | 44.1 | Very low | 46.3 | Very low | 100 Ų | 100 | 171.6 Ų | 171.6 | 70% | 0.699 | 85% | 0.852 | S | S | * | * | | | trans | -148.4 | 129.5 | 162.2 | -61.1 | 0 | 0 | 0 | 0 | 105.7 | | |
| 117 | F | 39.2 | Very low | 46.1 | Very low | 200 Ų | 200 | 174.6 Ų | 174.6 | 88% | 0.877 | 86% | 0.858 | S | S | * | * | S | Bend | cis | -142.9 | 135.3 | 31.1 | -76.1 | -106.6 | 0 | 0 | 0 | 111.7 | | |
| 118 | S | 44.6 | Very low | 46 | Very low | 133 Ų | 133 | 173.4 Ų | 173.4 | 93% | 0.93 | 86% | 0.86 | S | S | * | * | | | trans | -174.3 | 56.6 | 154.5 | -80.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 119 | E | 40.1 | Very low | 45.3 | Very low | 188 Ų | 188 | 172.3 Ų | 172.3 | 88% | 0.879 | 86% | 0.862 | S | S | * | * | | | trans | -143.6 | 88 | 172.2 | -167.9 | 171.8 | 156.7 | 0 | 0 | 111.7 | | |
| 120 | T | 40.2 | Very low | 44.5 | Very low | 153 Ų | 153 | 168.7 Ų | 168.7 | 94% | 0.939 | 87% | 0.865 | S | S | * | * | | | trans | -176.6 | 128 | 159.1 | 27.8 | 0 | 0 | 0 | 0 | 106.5 | | |
| 121 | G | 42 | Very low | 44.4 | Very low | 73 Ų | 73 | 167.5 Ų | 167.5 | 75% | 0.753 | 86% | 0.859 | S | S | * | * | | | cis | -176.5 | 97.8 | -12.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 122 | E | 44.3 | Very low | 43.6 | Very low | 201 Ų | 201 | 161 Ų | 161 | 94% | 0.939 | 85% | 0.851 | S | S | * | * | | | trans | -132.5 | 67.2 | 178.9 | -69.2 | -171.2 | -156.1 | 0 | 0 | 111.4 | | |
| 123 | R | 47.8 | Very low | 43 | Very low | 244 Ų | 244 | 158.3 Ų | 158.3 | 92% | 0.921 | 85% | 0.847 | S | S | * | * | | | trans | -128.7 | 65.2 | 168.3 | -82.1 | -168.1 | 172.4 | -155.5 | 1.8 | 110.8 | | |
| 124 | L | 49.6 | Very low | 43 | Very low | 167 Ų | 167 | 152.1 Ų | 152.1 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | | | trans | -167 | 68.2 | 162.6 | -113.2 | 170.4 | 0 | 0 | 0 | 113.8 | | |
| 125 | L | 46.4 | Very low | 42.7 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 83% | 0.827 | 84% | 0.837 | S | S | * | * | | | trans | -158.8 | 151.1 | 140.4 | -139.1 | 69 | 0 | 0 | 0 | 112.5 | | |
| 126 | N | 40.5 | Very low | 42 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 80% | 0.797 | 84% | 0.835 | S | S | * | * | | | trans | 100.1 | 78.7 | 168.3 | -60.1 | 6.4 | 0 | 0 | 0 | 116.7 | | |
| 127 | K | 40.6 | Very low | 41.6 | Very low | 207 Ų | 207 | 144.5 Ų | 144.5 | 90% | 0.9 | 84% | 0.841 | S | S | * | * | | | trans | -145.6 | 112.7 | 158 | -134.3 | 170.1 | -174.7 | 177.4 | 0 | 110.3 | | |
| 128 | C | 36 | Very low | 41.5 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 78% | 0.777 | 84% | 0.84 | S | S | * | * | | | trans | 169.3 | 112.2 | 151 | -90.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 129 | L | 38.8 | Very low | 41.2 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | | | | 59.2 | 130.4 | 108.1 | -60.6 | 173.1 | 0 | 0 | 0 | 114.8 | | |
| 130 | G | 34.6 | Very low | 41 | Very low | 71 Ų | 71 | 131.2 Ų | 131.2 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | | | cis | 170.6 | -161.6 | 1.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 131 | P | 48.3 | Very low | 41.3 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | | | cis | -129.7 | 175.3 | -28 | 40.7 | -24.6 | 0 | 0 | 0 | 114.9 | | |
| 132 | S | 36.7 | Very low | 41.5 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 76% | 0.762 | 83% | 0.834 | S | S | * | * | | | trans | 55.8 | 141.6 | 157.2 | 51.8 | 0 | 0 | 0 | 0 | 121 | | |
| 133 | S | 40.5 | Very low | 41.6 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | | | cis | -175.9 | 178.5 | 1.9 | -88.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 134 | P | 52.9 | Low | 41.8 | Very low | 114 Ų | 114 | 119.1 Ų | 119.1 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | | | cis | -131.3 | 158.4 | -26.1 | 34.5 | -15.9 | 0 | 0 | 0 | 116.2 | | |
| 135 | T | 36.5 | Very low | 41.7 | Very low | 136 Ų | 136 | 115.9 Ų | 115.9 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | | | trans | 36.2 | 107.9 | 141.7 | -45.1 | 0 | 0 | 0 | 0 | 123.5 | | |
| 136 | C | 39.3 | Very low | 42.2 | Very low | 131 Ų | 131 | 113.9 Ų | 113.9 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | | | | -172.1 | 152.9 | 106.7 | 65.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 137 | G | 35.8 | Very low | 43.4 | Very low | 79 Ų | 79 | 110.6 Ų | 110.6 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | | | cis | 174.7 | 131.6 | -13.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 138 | G | 36.6 | Very low | 45.3 | Very low | 83 Ų | 83 | 105.2 Ų | 105.2 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | | | trans | 100.8 | 99 | 166.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 139 | G | 38.8 | Very low | 47.8 | Very low | 88 Ų | 88 | 108.9 Ų | 108.9 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | | | | 59.6 | 122.6 | 123.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 140 | G | 35 | Very low | 50.4 | Low | 71 Ų | 71 | 104.2 Ų | 104.2 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | | | trans | 131.9 | 97.3 | 157 | 0 | 0 | 0 | 0 | 0 | 113.5 | S142 | G140-S142 PolarHBondContact O-N 2.91Š|
| 141 | G | 46.4 | Very low | 53.3 | Low | 97 Ų | 97 | 101.3 Ų | 101.3 | 100% | 1 | 70% | 0.703 | S | S | * | * | | | trans | -69.6 | 88.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 142 | S | 46.1 | Very low | 55.4 | Low | 108 Ų | 108 | 96.7 Ų | 96.7 | 76% | 0.755 | 67% | 0.673 | S | S | * | * | | | trans | -100.9 | 131 | 159.3 | 52.9 | 0 | 0 | 0 | 0 | 108.8 | G140 | G140-S142 PolarHBondContact O-N 2.91Š|
| 143 | S | 45.6 | Very low | 58.1 | Low | 89 Ų | 89 | 95.2 Ų | 95.2 | 62% | 0.622 | 65% | 0.654 | S | S | * | * | | | trans | -56.8 | 144.2 | 170.3 | 40.9 | 0 | 0 | 0 | 0 | 109.5 | V145 | S143-V145 PolarHBondContact O-N 3.26Å; S143-V145 WeakPolarHBondContact OG-CG2 3.29Å |
| 144 | P | 52.5 | Low | 60.7 | Low | 124 Ų | 124 | 92.8 Ų | 92.8 | 81% | 0.805 | 63% | 0.632 | S | S | * | * | | | trans | -77.4 | 53.9 | -176.1 | 33.3 | -37.3 | 0 | 0 | 0 | 111.6 | N146 | P144-N146 PolarHBondContact O-N 2.92Š|
| 145 | V | 48.6 | Very low | 62.8 | Low | 98 Ų | 98 | 87.6 Ų | 87.6 | 59% | 0.594 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 129.2 | 172.2 | -152.7 | 0 | 0 | 0 | 0 | 107.7 | S143 S147 | S143-V145 PolarHBondContact O-N 3.26Å; S143-V145 WeakPolarHBondContact OG-CG2 3.29Å; V145-S147 PolarHBondContact O-N 3.01Å |
| 146 | N | 56.6 | Low | 65.7 | Low | 116 Ų | 116 | 89.4 Ų | 89.4 | 62% | 0.62 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.6 | 39.1 | 169 | 57.6 | -98.2 | 0 | 0 | 0 | 119 | P144 S148 | P144-N146 PolarHBondContact O-N 2.92Å; N146-S148 PolarHBondContact O-N 3.31Å |
| 147 | S | 65.7 | Low | 68.4 | Low | 80 Ų | 80 | 86.1 Ų | 86.1 | 56% | 0.559 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -56.9 | -30 | 165.1 | -177.8 | 0 | 0 | 0 | 0 | 113.9 | V145 R149 Y150 | V145-S147 PolarHBondContact O-N 3.01Å; S147-R149 VanDerWaalsContact C-N 3.28Å; S147-R149 PolarHBondContact O-N 3.37Å; S147-R149 VanDerWaalsContact O-N 3.11Å; S147-Y150 PolarHBondContact O-N 2.9Å |
| 148 | S | 79.4 | Confident | 71.3 | Confident | 94 Ų | 94 | 85.6 Ų | 85.6 | 66% | 0.657 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -63.1 | -17.7 | -172 | 175.2 | 0 | 0 | 0 | 0 | 116.7 | N146 | N146-S148 PolarHBondContact O-N 3.31Š|
| 149 | R | 88.9 | Confident | 74.2 | Confident | 193 Ų | 193 | 87.6 Ų | 87.6 | 73% | 0.728 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -114.1 | 2.2 | 179.9 | -66.5 | -173.9 | -175.1 | 160.6 | 1.9 | 113.7 | S147 K151 T152 | S147-R149 VanDerWaalsContact C-N 3.28Å; S147-R149 PolarHBondContact O-N 3.37Å; S147-R149 VanDerWaalsContact O-N 3.11Å; R149-K151 PolarHBondContact O-N 3.18Å; R149-T152 PolarHBondContact O-N 3.24Å; R149-T152 PolarHBondContact O-OG1 3.18Å |
| 150 | Y | 94.3 | Very high | 76.9 | Confident | 77 Ų | 77 | 89.8 Ų | 89.8 | 30% | 0.302 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 126.6 | -177.1 | 179.7 | -102.7 | 0 | 0 | 0 | 111 | S147 T152 Q171 R180 | S147-Y150 PolarHBondContact O-N 2.9Å; Y150-T152 PolarHBondContact O-N 3.36Å; Y150-Q171 HydrophobicContact CD2-CB 4.35Å; Y150-Q171 HydrophobicContact CD2-CG 4.44Å; Y150-R180 WeakPolarHBondContact O-CD 3.5Å |
| 151 | K | 93.9 | Very high | 79.8 | Confident | 11 Ų | 11 | 91.6 Ų | 91.6 | 5% | 0.048 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 33.1 | -177 | -65.1 | 179.9 | -179.7 | -102.3 | 0 | 113.9 | R149 Q171 A173 E178 L179 R180 | R149-K151 PolarHBondContact O-N 3.18Å; K151-Q171 WeakPolarHBondContact CA-O 3.5Å; K151-Q171 PolarHBondContact N-O 2.82Å; K151-A173 HydrophobicContact CB-CB 4.21Å; K151-E178 WeakPolarHBondContact CB-O 3.24Å; K151-E178 HydrophobicContact CD-CB 4.25Å; K151-E178 IonicContact NZ-OE1 2.78Å; K151-E178 PolarHBondContact NZ-OE1 2.96Å; K151-E178 IonicContact NZ-OE2 2.69Å; K151-E178 PolarHBondContact NZ-OE2 3.48Å; K151-L179 CarbonylContact O-C 3.58Å; K151-L179 WeakPolarHBondContact O-CA 3.31Å; K151-R180 HydrophobicContact CB-CG 4.44Å; K151-R180 PolarHBondContact O-N 3.38Å |
| 152 | T | 93.3 | Very high | 82.1 | Confident | 21 Ų | 21 | 89.2 Ų | 89.2 | 13% | 0.129 | 48% | 0.484 | C | S | . | . | | | trans | -93.6 | -7.2 | 179.1 | 61.4 | 0 | 0 | 0 | 0 | 115.2 | R149 Y150 R180 L182 | R149-T152 PolarHBondContact O-N 3.24Å; R149-T152 PolarHBondContact O-OG1 3.18Å; Y150-T152 PolarHBondContact O-N 3.36Å; T152-R180 HydrophobicContact CG2-CB 4.26Å; T152-L182 HydrophobicContact CG2-CD1 4.37Å; T152-L182 HydrophobicContact CG2-CD2 3.78Å; T152-L182 HydrophobicContact CG2-CG 3.7Å |
| 153 | E | 93.3 | Very high | 84.5 | Confident | 79 Ų | 79 | 88.6 Ų | 88.6 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -132.8 | 150.4 | 174 | -65.8 | -179.8 | -175.6 | 0 | 0 | 108.1 | F172 A173 | E153-F172 HydrophobicContact CB-CD1 4.07Å; E153-F172 HydrophobicContact CB-CE1 4.41Å; E153-F172 WeakPolarHBondContact O-CA 3.03Å; E153-A173 PolarHBondContact O-N 2.76Å |
| 154 | L | 95.6 | Very high | 87 | Confident | 60 Ų | 60 | 85.4 Ų | 85.4 | 31% | 0.314 | 45% | 0.454 | S | S | . | . | B | Isolated β-bridge | trans | -71.2 | 147.3 | 178.5 | -69.2 | 172.5 | 0 | 0 | 0 | 111.5 | R156 A173 L179 | L154-R156 PolarHBondContact O-N 3.18Å; L154-A173 CarbonylContact C-O 3.6Å; L154-A173 WeakPolarHBondContact CA-O 3.09Å; L154-A173 HydrophobicContact CD2-CB 4.13Å; L154-L179 HydrophobicContact CD2-CB 4.44Å; L154-L179 HydrophobicContact CD2-CD1 4.22Å; L154-L179 HydrophobicContact CD2-CD2 4.3Å; L154-L179 HydrophobicContact CG-CD1 4.24Å; L154-L179 HydrophobicContact CG-CD2 4.31Å |
| 155 | C | 97.2 | Very high | 89.1 | Confident | 5 Ų | 5 | 88.1 Ų | 88.1 | 3% | 0.034 | 45% | 0.453 | C | S | . | . | | | trans | -84.3 | 102.5 | 179.5 | -172.7 | 0 | 0 | 0 | 0 | 110.6 | F158 E159 C170 F172 A173 | C155-F158 HydrophobicContact CB-CB 3.94Å; C155-F158 WeakPolarHBondContact O-CA 3.45Å; C155-F158 WeakPolarHBondContact O-CB 3.34Å; C155-F158 PolarHBondContact O-N 3.33Å; C155-E159 PolarHBondContact O-N 2.73Å; C155-C170 PolarHBondContact SG-SG 2.99Å; C155-F172 HydrophobicContact CB-CB 3.6Å; C155-A173 WeakPolarHBondContact CB-O 3.29Å; C155-A173 PolarHBondContact N-O 2.86Å |
| 156 | R | 95.9 | Very high | 91.3 | Very high | 173 Ų | 173 | 89.9 Ų | 89.9 | 65% | 0.653 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -54.8 | -44.9 | -177.5 | -67.6 | -166 | -173.5 | -173.7 | 0.2 | 115.6 | L154 F158 E159 E160 | L154-R156 PolarHBondContact O-N 3.18Å; R156-F158 PolarHBondContact O-N 3.18Å; R156-E159 PolarHBondContact O-N 2.79Å; R156-E159 VanDerWaalsContact O-N 3.12Å; R156-E160 WeakPolarHBondContact O-CB 3.43Å; R156-E160 WeakPolarHBondContact O-CG 3.47Å; R156-E160 PolarHBondContact O-N 2.69Å |
| 157 | P | 97.1 | Very high | 93.2 | Very high | 63 Ų | 63 | 85.8 Ų | 85.8 | 41% | 0.409 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.8 | -36.1 | 175.5 | -25.9 | 35.3 | 0 | 0 | 0 | 113.1 | N161 T163 | P157-N161 WeakPolarHBondContact O-CA 3.47Å; P157-N161 VanDerWaalsContact O-CB 3.26Å; P157-N161 WeakPolarHBondContact O-CB 3.22Å; P157-N161 PolarHBondContact O-N 3.28Å; P157-N161 PolarHBondContact O-OD1 3.26Å; P157-T163 CarbonylContact C-O 3.6Å; P157-T163 VanDerWaalsContact O-O 3.11Å |
| 158 | F | 97.4 | Very high | 94.6 | Very high | 68 Ų | 68 | 88.3 Ų | 88.3 | 30% | 0.298 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -72.6 | -39.1 | 175.6 | -165.1 | -84.8 | 0 | 0 | 0 | 112.1 | C155 R156 G162 C164 H174 | C155-F158 HydrophobicContact CB-CB 3.94Å; C155-F158 WeakPolarHBondContact O-CA 3.45Å; C155-F158 WeakPolarHBondContact O-CB 3.34Å; C155-F158 PolarHBondContact O-N 3.33Å; R156-F158 PolarHBondContact O-N 3.18Å; F158-G162 VanDerWaalsContact CE2-O 3.29Å; F158-G162 WeakPolarHBondContact CE2-O 3.46Å; F158-G162 WeakPolarHBondContact O-CA 3.42Å; F158-G162 PolarHBondContact O-N 3.23Å; F158-C164 HydrophobicContact CB-CB 4.18Å; F158-C164 HydrophobicContact CD2-CB 4.04Å; F158-H174 HydrophobicContact CB-CB 4.49Å; F158-H174 HydrophobicContact CD1-CB 3.66Å; F158-H174 WeakPolarHBondContact CD1-O 3.13Å; F158-H174 HydrophobicContact CD2-CB 3.94Å; F158-H174 AromaticContact CD2-CD2 3.72Å; F158-H174 AromaticContact CD2-CE1 3.96Å; F158-H174 AromaticContact CD2-CG 3.55Å; F158-H174 AromaticContact CD2-ND1 3.71Å; F158-H174 AromaticContact CD2-NE2 4Å; F158-H174 HydrophobicContact CE1-CB 3.79Å; F158-H174 WeakPolarHBondContact CE1-O 3.39Å; F158-H174 HydrophobicContact CE2-CB 4.05Å; F158-H174 AromaticContact CE2-CG 3.94Å; F158-H174 AromaticContact CE2-ND1 3.89Å; F158-H174 HydrophobicContact CG-CB 3.74Å; F158-H174 AromaticContact CG-CD2 3.62Å; F158-H174 AromaticContact CG-CG 3.64Å; F158-H174 HydrophobicContact CZ-CB 3.98Å |
| 159 | E | 96.2 | Very high | 95.3 | Very high | 124 Ų | 124 | 92.2 Ų | 92.2 | 58% | 0.579 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -65.4 | -39.8 | 176.7 | -175 | 173.2 | -145.9 | 0 | 0 | 112.3 | C155 R156 | C155-E159 PolarHBondContact O-N 2.73Å; R156-E159 PolarHBondContact O-N 2.79Å; R156-E159 VanDerWaalsContact O-N 3.12Å |
| 160 | E | 96.1 | Very high | 95.7 | Very high | 134 Ų | 134 | 83.1 Ų | 83.1 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -86.4 | -32.9 | -177.2 | -67.4 | 169.8 | -163.5 | 0 | 0 | 113.2 | R156 | R156-E160 WeakPolarHBondContact O-CB 3.43Å; R156-E160 WeakPolarHBondContact O-CG 3.47Å; R156-E160 PolarHBondContact O-N 2.69Å |
| 161 | N | 95.9 | Very high | 95.7 | Very high | 110 Ų | 110 | 85.6 Ų | 85.6 | 59% | 0.588 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -123.6 | 2.8 | -171.9 | -47.2 | 125.4 | 0 | 0 | 0 | 114.6 | P157 T163 | P157-N161 WeakPolarHBondContact O-CA 3.47Å; P157-N161 VanDerWaalsContact O-CB 3.26Å; P157-N161 WeakPolarHBondContact O-CB 3.22Å; P157-N161 PolarHBondContact O-N 3.28Å; P157-N161 PolarHBondContact O-OD1 3.26Å; N161-T163 PolarHBondContact O-N 3.05Å; N161-T163 PolarHBondContact O-OG1 3.11Å |
| 162 | G | 95.2 | Very high | 95.8 | Very high | 46 Ų | 46 | 89.7 Ų | 89.7 | 47% | 0.474 | 45% | 0.445 | S | S | . | . | S | Bend | trans | 63.6 | 4.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F158 | F158-G162 VanDerWaalsContact CE2-O 3.29Å; F158-G162 WeakPolarHBondContact CE2-O 3.46Å; F158-G162 WeakPolarHBondContact O-CA 3.42Å; F158-G162 PolarHBondContact O-N 3.23Å |
| 163 | T | 96.3 | Very high | 96 | Very high | 95 Ų | 95 | 88.8 Ų | 88.8 | 58% | 0.583 | 44% | 0.44 | S | S | * | . | | | trans | -143.6 | 145 | -169.7 | 53 | 0 | 0 | 0 | 0 | 110.8 | P157 N161 | P157-T163 CarbonylContact C-O 3.6Å; P157-T163 VanDerWaalsContact O-O 3.11Å; N161-T163 PolarHBondContact O-N 3.05Å; N161-T163 PolarHBondContact O-OG1 3.11Å |
| 164 | C | 97.5 | Very high | 96.2 | Very high | 23 Ų | 23 | 86 Ų | 86 | 16% | 0.155 | 43% | 0.427 | C | S | . | . | | | trans | -138.9 | 126.4 | -179.8 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | F158 Y166 G167 H174 | F158-C164 HydrophobicContact CB-CB 4.18Å; F158-C164 HydrophobicContact CD2-CB 4.04Å; C164-Y166 PolarHBondContact O-N 3.33Å; C164-G167 PolarHBondContact O-N 3.3Å; C164-H174 WeakPolarHBondContact CB-NE2 3.49Å; C164-H174 PolarHBondContact SG-NE2 3.13Å; C164-H174 VanDerWaalsContact SG-NE2 3.43Å |
| 165 | K | 96.9 | Very high | 96.2 | Very high | 180 Ų | 180 | 84 Ų | 84 | 78% | 0.783 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -16.7 | 178.9 | 63 | -178.2 | 174.8 | 178.5 | 0 | 115.3 | | |
| 166 | Y | 95.7 | Very high | 96 | Very high | 136 Ų | 136 | 88.7 Ų | 88.7 | 53% | 0.533 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -13.2 | 178.5 | -59.7 | -66.1 | 0 | 0 | 0 | 113.7 | C164 K169 | C164-Y166 PolarHBondContact O-N 3.33Å; Y166-K169 WeakPolarHBondContact O-CB 3.47Å; Y166-K169 PolarHBondContact O-N 2.75Å |
| 167 | G | 95.1 | Very high | 95.8 | Very high | 30 Ų | 30 | 88.3 Ų | 88.3 | 31% | 0.309 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | 51.2 | -144.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | C164 K169 C170 H174 | C164-G167 PolarHBondContact O-N 3.3Å; G167-K169 PolarHBondContact O-N 2.8Å; G167-C170 VanDerWaalsContact O-CB 3.22Å; G167-C170 WeakPolarHBondContact O-CB 3.4Å; G167-C170 PolarHBondContact O-N 2.92Å; G167-H174 PolarHBondContact O-CE1 3.25Å |
| 168 | D | 94.8 | Very high | 95.7 | Very high | 132 Ų | 132 | 87.5 Ų | 87.5 | 71% | 0.706 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -64.8 | -16.4 | -176.1 | -45.4 | -51.4 | 0 | 0 | 0 | 113.9 | C170 | D168-C170 PolarHBondContact O-N 3.38Š|
| 169 | K | 95.3 | Very high | 95.6 | Very high | 176 Ų | 176 | 87.4 Ų | 87.4 | 77% | 0.765 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -75.5 | -0.6 | 172.7 | -63.6 | -177.5 | -68.4 | -67.5 | 0 | 113 | Y166 G167 Q171 | Y166-K169 WeakPolarHBondContact O-CB 3.47Å; Y166-K169 PolarHBondContact O-N 2.75Å; G167-K169 PolarHBondContact O-N 2.8Å; K169-Q171 PolarHBondContact O-N 2.9Å |
| 170 | C | 96.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 87.7 Ų | 87.7 | 1% | 0.014 | 44% | 0.443 | C | S | . | . | | | trans | -57.8 | 132.3 | 173.4 | -165.6 | 0 | 0 | 0 | 0 | 110.9 | C155 G167 D168 F172 H174 | C155-C170 PolarHBondContact SG-SG 2.99Å; G167-C170 VanDerWaalsContact O-CB 3.22Å; G167-C170 WeakPolarHBondContact O-CB 3.4Å; G167-C170 PolarHBondContact O-N 2.92Å; D168-C170 PolarHBondContact O-N 3.38Å; C170-F172 PolarHBondContact O-N 2.79Å; C170-F172 PolarHBondContact SG-N 2.9Å; C170-H174 VanDerWaalsContact CB-NE2 3.29Å; C170-H174 WeakPolarHBondContact CB-NE2 3.29Å |
| 171 | Q | 95.6 | Very high | 94.8 | Very high | 130 Ų | 130 | 86.9 Ų | 86.9 | 61% | 0.607 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -78 | -8.5 | 174.9 | -63.6 | -175.9 | 5.4 | 0 | 0 | 112.9 | Y150 K151 K169 | Y150-Q171 HydrophobicContact CD2-CB 4.35Å; Y150-Q171 HydrophobicContact CD2-CG 4.44Å; K151-Q171 WeakPolarHBondContact CA-O 3.5Å; K151-Q171 PolarHBondContact N-O 2.82Å; K169-Q171 PolarHBondContact O-N 2.9Å |
| 172 | F | 95.8 | Very high | 94.3 | Very high | 97 Ų | 97 | 84.2 Ų | 84.2 | 43% | 0.425 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -106.3 | 156.3 | 176.1 | -59.5 | -84.6 | 0 | 0 | 0 | 109.9 | E153 C155 C170 | E153-F172 HydrophobicContact CB-CD1 4.07Å; E153-F172 HydrophobicContact CB-CE1 4.41Å; E153-F172 WeakPolarHBondContact O-CA 3.03Å; C155-F172 HydrophobicContact CB-CB 3.6Å; C170-F172 PolarHBondContact O-N 2.79Å; C170-F172 PolarHBondContact SG-N 2.9Å |
| 173 | A | 96.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 87.9 Ų | 87.9 | 1% | 0.008 | 46% | 0.456 | C | S | . | . | B | Isolated β-bridge | trans | -78.4 | 130 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K151 E153 L154 C155 G175 E178 L179 | K151-A173 HydrophobicContact CB-CB 4.21Å; E153-A173 PolarHBondContact O-N 2.76Å; L154-A173 CarbonylContact C-O 3.6Å; L154-A173 WeakPolarHBondContact CA-O 3.09Å; L154-A173 HydrophobicContact CD2-CB 4.13Å; C155-A173 WeakPolarHBondContact CB-O 3.29Å; C155-A173 PolarHBondContact N-O 2.86Å; A173-G175 PolarHBondContact O-N 3.41Å; A173-E178 HydrophobicContact CB-CB 3.77Å; A173-L179 HydrophobicContact CB-CB 3.97Å; A173-L179 HydrophobicContact CB-CD1 3.86Å |
| 174 | H | 97.2 | Very high | 93.1 | Very high | 22 Ų | 22 | 88.2 Ų | 88.2 | 10% | 0.102 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -79.4 | 3.7 | 172.3 | -68.6 | 171.4 | 0 | 0 | 0 | 113.2 | F158 C164 G167 C170 E178 | F158-H174 HydrophobicContact CB-CB 4.49Å; F158-H174 HydrophobicContact CD1-CB 3.66Å; F158-H174 WeakPolarHBondContact CD1-O 3.13Å; F158-H174 HydrophobicContact CD2-CB 3.94Å; F158-H174 AromaticContact CD2-CD2 3.72Å; F158-H174 AromaticContact CD2-CE1 3.96Å; F158-H174 AromaticContact CD2-CG 3.55Å; F158-H174 AromaticContact CD2-ND1 3.71Å; F158-H174 AromaticContact CD2-NE2 4Å; F158-H174 HydrophobicContact CE1-CB 3.79Å; F158-H174 WeakPolarHBondContact CE1-O 3.39Å; F158-H174 HydrophobicContact CE2-CB 4.05Å; F158-H174 AromaticContact CE2-CG 3.94Å; F158-H174 AromaticContact CE2-ND1 3.89Å; F158-H174 HydrophobicContact CG-CB 3.74Å; F158-H174 AromaticContact CG-CD2 3.62Å; F158-H174 AromaticContact CG-CG 3.64Å; F158-H174 HydrophobicContact CZ-CB 3.98Å; C164-H174 WeakPolarHBondContact CB-NE2 3.49Å; C164-H174 PolarHBondContact SG-NE2 3.13Å; C164-H174 VanDerWaalsContact SG-NE2 3.43Å; G167-H174 PolarHBondContact O-CE1 3.25Å; C170-H174 VanDerWaalsContact CB-NE2 3.29Å; C170-H174 WeakPolarHBondContact CB-NE2 3.29Å; H174-E178 WeakPolarHBondContact CB-OE2 3.49Å; H174-E178 IonicContact CG-OE2 2.77Å; H174-E178 PolarHBondContact N-OE2 2.91Å |
| 175 | G | 95 | Very high | 92.5 | Very high | 17 Ų | 17 | 93.9 Ų | 93.9 | 18% | 0.175 | 47% | 0.47 | C | S | . | . | S | Bend | trans | 174.6 | 177.7 | 170 | 0 | 0 | 0 | 0 | 0 | 111.6 | A173 H177 E178 L179 | A173-G175 PolarHBondContact O-N 3.41Å; G175-H177 PolarHBondContact O-N 2.82Å; G175-E178 PolarHBondContact O-N 2.99Å; G175-L179 PolarHBondContact O-N 3.43Å |
| 176 | V | 92.9 | Very high | 91.9 | Very high | 104 Ų | 104 | 90.7 Ų | 90.7 | 63% | 0.63 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -31.8 | -179.6 | -172.9 | 0 | 0 | 0 | 0 | 112 | E178 L179 | V176-E178 VanDerWaalsContact C-N 3.25Å; V176-E178 PolarHBondContact O-N 3.38Å; V176-L179 PolarHBondContact O-N 3.14Å |
| 177 | H | 93.1 | Very high | 91.5 | Very high | 164 Ų | 164 | 90.3 Ų | 90.3 | 76% | 0.759 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -26.7 | 176.5 | 65.9 | -82 | 0 | 0 | 0 | 113.9 | G175 | G175-H177 PolarHBondContact O-N 2.82Š|
| 178 | E | 94.7 | Very high | 91.2 | Very high | 46 Ų | 46 | 91.5 Ų | 91.5 | 22% | 0.215 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -15.6 | 175.4 | -63.3 | -150.9 | 117.8 | 0 | 0 | 113.4 | K151 A173 H174 G175 V176 R180 | K151-E178 WeakPolarHBondContact CB-O 3.24Å; K151-E178 HydrophobicContact CD-CB 4.25Å; K151-E178 IonicContact NZ-OE1 2.78Å; K151-E178 PolarHBondContact NZ-OE1 2.96Å; K151-E178 IonicContact NZ-OE2 2.69Å; K151-E178 PolarHBondContact NZ-OE2 3.48Å; A173-E178 HydrophobicContact CB-CB 3.77Å; H174-E178 WeakPolarHBondContact CB-OE2 3.49Å; H174-E178 IonicContact CG-OE2 2.77Å; H174-E178 PolarHBondContact N-OE2 2.91Å; G175-E178 PolarHBondContact O-N 2.99Å; V176-E178 VanDerWaalsContact C-N 3.25Å; V176-E178 PolarHBondContact O-N 3.38Å; E178-R180 PolarHBondContact O-N 2.78Å |
| 179 | L | 94.8 | Very high | 91 | Very high | 66 Ų | 66 | 86.7 Ų | 86.7 | 35% | 0.346 | 44% | 0.437 | S | S | . | . | | | trans | -74.9 | 110.5 | -168.4 | -172.3 | 69.7 | 0 | 0 | 0 | 111 | K151 L154 A173 G175 V176 | K151-L179 CarbonylContact O-C 3.58Å; K151-L179 WeakPolarHBondContact O-CA 3.31Å; L154-L179 HydrophobicContact CD2-CB 4.44Å; L154-L179 HydrophobicContact CD2-CD1 4.22Å; L154-L179 HydrophobicContact CD2-CD2 4.3Å; L154-L179 HydrophobicContact CG-CD1 4.24Å; L154-L179 HydrophobicContact CG-CD2 4.31Å; A173-L179 HydrophobicContact CB-CB 3.97Å; A173-L179 HydrophobicContact CB-CD1 3.86Å; G175-L179 PolarHBondContact O-N 3.43Å; V176-L179 PolarHBondContact O-N 3.14Å |
| 180 | R | 91.6 | Very high | 90.8 | Very high | 130 Ų | 130 | 81.6 Ų | 81.6 | 49% | 0.491 | 42% | 0.421 | S | S | . | . | | | trans | -83.4 | 135.2 | 179.8 | -61.7 | -172.6 | 179.5 | 179.4 | -2 | 111.3 | Y150 K151 T152 E178 L182 | Y150-R180 WeakPolarHBondContact O-CD 3.5Å; K151-R180 HydrophobicContact CB-CG 4.44Å; K151-R180 PolarHBondContact O-N 3.38Å; T152-R180 HydrophobicContact CG2-CB 4.26Å; E178-R180 PolarHBondContact O-N 2.78Å; R180-L182 PolarHBondContact O-N 3.48Å |
| 181 | S | 84.6 | Confident | 90.6 | Very high | 118 Ų | 118 | 85.6 Ų | 85.6 | 83% | 0.825 | 44% | 0.44 | S | S | * | . | | | trans | -68.4 | 124.4 | 173.7 | 50.8 | 0 | 0 | 0 | 0 | 111.3 | S183 | S181-S183 PolarHBondContact O-N 3.46Š|
| 182 | L | 85.1 | Confident | 90.6 | Very high | 54 Ų | 54 | 82.5 Ų | 82.5 | 28% | 0.283 | 43% | 0.427 | S | S | . | . | | | trans | -72.4 | 105.7 | 171.2 | -80.3 | 148.4 | 0 | 0 | 0 | 109.9 | T152 R180 R184 | T152-L182 HydrophobicContact CG2-CD1 4.37Å; T152-L182 HydrophobicContact CG2-CD2 3.78Å; T152-L182 HydrophobicContact CG2-CG 3.7Å; R180-L182 PolarHBondContact O-N 3.48Å; L182-R184 HydrophobicContact CB-CG 3.98Å; L182-R184 PolarHBondContact O-N 3.41Å; L182-R184 VanDerWaalsContact O-N 3.13Å |
| 183 | S | 82.3 | Confident | 90.6 | Very high | 122 Ų | 122 | 78 Ų | 78 | 85% | 0.853 | 41% | 0.408 | S | S | * | . | | | trans | -65.6 | 108.4 | 158.4 | -173.2 | 0 | 0 | 0 | 0 | 108.1 | S181 | S181-S183 PolarHBondContact O-N 3.46Š|
| 184 | R | 84.3 | Confident | 90.6 | Very high | 103 Ų | 103 | 87.9 Ų | 87.9 | 39% | 0.389 | 45% | 0.445 | S | S | . | . | | | trans | -105.1 | 148.1 | 179.4 | -61.8 | -173.2 | -173.9 | -116.4 | 9.5 | 109.6 | L182 Y188 | L182-R184 HydrophobicContact CB-CG 3.98Å; L182-R184 PolarHBondContact O-N 3.41Å; L182-R184 VanDerWaalsContact O-N 3.13Å; R184-Y188 HydrophobicContact CB-CD1 4.33Å; R184-Y188 HydrophobicContact CB-CG 4.11Å; R184-Y188 HydrophobicContact CG-CD1 4.45Å; R184-Y188 HydrophobicContact CG-CG 4.43Å; R184-Y188 PolarHBondContact NH1-OH 3.33Å |
| 185 | H | 83.9 | Confident | 90.5 | Very high | 141 Ų | 141 | 89.5 Ų | 89.5 | 65% | 0.653 | 46% | 0.456 | S | S | * | . | | | trans | -56 | 142.3 | 175 | -173.6 | -97.1 | 0 | 0 | 0 | 110.9 | K187 Y188 | H185-K187 VanDerWaalsContact ND1-CB 3.32Å; H185-K187 WeakPolarHBondContact ND1-CB 3.35Å; H185-K187 PolarHBondContact ND1-N 2.97Å; H185-K187 VanDerWaalsContact ND1-N 3.18Å; H185-K187 PolarHBondContact O-N 2.97Å; H185-Y188 VanDerWaalsContact O-CB 3.27Å; H185-Y188 WeakPolarHBondContact O-CB 3.34Å; H185-Y188 PolarHBondContact O-N 3.42Å |
| 186 | P | 85.8 | Confident | 90.5 | Very high | 114 Ų | 114 | 91.7 Ų | 91.7 | 74% | 0.74 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -15.5 | -179 | 20.4 | -34.5 | 0 | 0 | 0 | 115.2 | Y188 T190 | P186-Y188 VanDerWaalsContact C-N 3.31Å; P186-T190 VanDerWaalsContact O-CG2 3.31Å; P186-T190 WeakPolarHBondContact O-CG2 3.45Å |
| 187 | K | 86.9 | Confident | 90.6 | Very high | 127 Ų | 127 | 91.5 Ų | 91.5 | 55% | 0.552 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 5.7 | 171.6 | -147.8 | -168.1 | 176.7 | -164.9 | 0 | 114.6 | H185 T190 E191 | H185-K187 VanDerWaalsContact ND1-CB 3.32Å; H185-K187 WeakPolarHBondContact ND1-CB 3.35Å; H185-K187 PolarHBondContact ND1-N 2.97Å; H185-K187 VanDerWaalsContact ND1-N 3.18Å; H185-K187 PolarHBondContact O-N 2.97Å; K187-T190 PolarHBondContact O-OG1 3.12Å; K187-E191 WeakPolarHBondContact CE-OE1 3.27Å; K187-E191 IonicContact NZ-OE1 2.78Å; K187-E191 PolarHBondContact NZ-OE1 2.89Å |
| 188 | Y | 89.1 | Confident | 90.8 | Very high | 56 Ų | 56 | 88.9 Ų | 88.9 | 22% | 0.22 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 129.2 | 178 | 179.8 | -102.5 | 0 | 0 | 0 | 111.3 | R184 H185 P186 T190 C208 H209 | R184-Y188 HydrophobicContact CB-CD1 4.33Å; R184-Y188 HydrophobicContact CB-CG 4.11Å; R184-Y188 HydrophobicContact CG-CD1 4.45Å; R184-Y188 HydrophobicContact CG-CG 4.43Å; R184-Y188 PolarHBondContact NH1-OH 3.33Å; H185-Y188 VanDerWaalsContact O-CB 3.27Å; H185-Y188 WeakPolarHBondContact O-CB 3.34Å; H185-Y188 PolarHBondContact O-N 3.42Å; P186-Y188 VanDerWaalsContact C-N 3.31Å; Y188-T190 PolarHBondContact O-N 3.35Å; Y188-C208 PolarHBondContact OH-O 3.26Å; Y188-H209 HydrophobicContact CD2-CB 4.3Å; Y188-H209 HydrophobicContact CE2-CB 4.32Å; Y188-H209 AromaticContact CE2-CD2 3.81Å |
| 189 | K | 90.1 | Very high | 90.8 | Very high | 30 Ų | 30 | 92.5 Ų | 92.5 | 13% | 0.13 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 41 | -176.8 | -68.8 | -165.7 | 178 | -158.1 | 0 | 113.9 | C208 H209 I211 E216 | K189-C208 WeakPolarHBondContact CE-O 3.26Å; K189-H209 WeakPolarHBondContact CA-O 3.45Å; K189-H209 PolarHBondContact N-O 2.81Å; K189-I211 HydrophobicContact CB-CG1 3.95Å; K189-I211 WeakPolarHBondContact O-CD1 3.26Å; K189-I211 WeakPolarHBondContact O-CG1 3.23Å; K189-E216 IonicContact NZ-OE1 3.2Å; K189-E216 PolarHBondContact NZ-OE1 3.11Å; K189-E216 IonicContact NZ-OE2 2.74Å; K189-E216 PolarHBondContact NZ-OE2 2.78Å |
| 190 | T | 90.7 | Very high | 90.7 | Very high | 70 Ų | 70 | 92 Ų | 92 | 43% | 0.429 | 48% | 0.479 | S | S | . | . | | | trans | -89.5 | -31.6 | 170.1 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | P186 K187 Y188 | P186-T190 VanDerWaalsContact O-CG2 3.31Å; P186-T190 WeakPolarHBondContact O-CG2 3.45Å; K187-T190 PolarHBondContact O-OG1 3.12Å; Y188-T190 PolarHBondContact O-N 3.35Å |
| 191 | E | 93.1 | Very high | 90.9 | Very high | 85 Ų | 85 | 92.2 Ų | 92.2 | 40% | 0.397 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -108.2 | 151.8 | -177.1 | -68.6 | 171.7 | -140.1 | 0 | 0 | 111.1 | K187 F210 I211 | K187-E191 WeakPolarHBondContact CE-OE1 3.27Å; K187-E191 IonicContact NZ-OE1 2.78Å; K187-E191 PolarHBondContact NZ-OE1 2.89Å; E191-F210 HydrophobicContact CB-CD1 3.82Å; E191-F210 HydrophobicContact CB-CE1 4.1Å; E191-F210 WeakPolarHBondContact O-CA 2.94Å; E191-F210 WeakPolarHBondContact O-CB 3.32Å; E191-I211 PolarHBondContact O-N 3.29Å |
| 192 | L | 94.8 | Very high | 91.5 | Very high | 65 Ų | 65 | 86.8 Ų | 86.8 | 34% | 0.34 | 45% | 0.446 | S | S | . | . | B | Isolated β-bridge | trans | -75.1 | 140.3 | 179.2 | -103.8 | 62.7 | 0 | 0 | 0 | 112.3 | R194 H197 I211 | L192-R194 PolarHBondContact O-N 3.26Å; L192-R194 VanDerWaalsContact O-N 3.11Å; L192-H197 WeakPolarHBondContact CD2-NE2 3.27Å; L192-I211 HydrophobicContact CD1-CB 4Å; L192-I211 HydrophobicContact CD1-CD1 3.74Å; L192-I211 HydrophobicContact CD1-CG2 4.18Å; L192-I211 HydrophobicContact CG-CB 4.46Å |
| 193 | C | 96.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 88.6 Ų | 88.6 | 3% | 0.027 | 46% | 0.461 | C | S | . | . | | | trans | -72.7 | 107.4 | 172.8 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | T195 F196 H197 F210 I211 H212 | C193-T195 VanDerWaalsContact C-N 3.34Å; C193-T195 PolarHBondContact O-N 3.01Å; C193-F196 HydrophobicContact CB-CB 3.84Å; C193-F196 PolarHBondContact O-N 2.88Å; C193-F196 PolarHBondContact SG-N 2.9Å; C193-H197 PolarHBondContact O-CD2 2.95Å; C193-H197 PolarHBondContact O-N 3.14Å; C193-F210 HydrophobicContact CB-CB 3.64Å; C193-I211 VanDerWaalsContact CB-O 3.26Å; C193-I211 WeakPolarHBondContact CB-O 3.49Å; C193-I211 PolarHBondContact N-O 3.3Å; C193-H212 WeakPolarHBondContact CB-CD2 3.38Å |
| 194 | R | 95.8 | Very high | 92.5 | Very high | 207 Ų | 207 | 90.3 Ų | 90.3 | 78% | 0.781 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -54 | -52.5 | 176.8 | -62.7 | -177.9 | -175.2 | 174.6 | 1 | 110.5 | L192 F196 H197 T198 | L192-R194 PolarHBondContact O-N 3.26Å; L192-R194 VanDerWaalsContact O-N 3.11Å; R194-F196 PolarHBondContact O-N 3.4Å; R194-H197 CarbonylContact O-C 3.54Å; R194-H197 PolarHBondContact O-N 3.18Å; R194-H197 VanDerWaalsContact O-N 3.11Å; R194-T198 WeakPolarHBondContact O-CB 3.42Å; R194-T198 WeakPolarHBondContact O-CG2 3.2Å; R194-T198 PolarHBondContact O-N 3.39Å; R194-T198 PolarHBondContact O-OG1 3.47Å |
| 195 | T | 95.6 | Very high | 92.8 | Very high | 57 Ų | 57 | 86.5 Ų | 86.5 | 35% | 0.35 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -53.6 | -47.7 | -180 | -43.7 | 0 | 0 | 0 | 0 | 112.7 | C193 T198 I199 F201 | C193-T195 VanDerWaalsContact C-N 3.34Å; C193-T195 PolarHBondContact O-N 3.01Å; T195-T198 PolarHBondContact O-OG1 3.49Å; T195-I199 HydrophobicContact CG2-CD1 3.8Å; T195-I199 WeakPolarHBondContact O-CB 3.11Å; T195-I199 PolarHBondContact O-N 3.29Å; T195-F201 CarbonylContact C-O 3.34Å |
| 196 | F | 96.2 | Very high | 93.1 | Very high | 62 Ų | 62 | 84.8 Ų | 84.8 | 27% | 0.272 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 178.5 | -172.5 | -95.3 | 0 | 0 | 0 | 112 | C193 R194 G200 C202 H212 | C193-F196 HydrophobicContact CB-CB 3.84Å; C193-F196 PolarHBondContact O-N 2.88Å; C193-F196 PolarHBondContact SG-N 2.9Å; R194-F196 PolarHBondContact O-N 3.4Å; F196-G200 CarbonylContact O-C 3.52Å; F196-G200 WeakPolarHBondContact O-CA 3.41Å; F196-G200 PolarHBondContact O-N 3.21Å; F196-C202 HydrophobicContact CB-CB 3.98Å; F196-C202 HydrophobicContact CD2-CB 4.13Å; F196-H212 HydrophobicContact CB-CB 4.46Å; F196-H212 HydrophobicContact CD1-CB 3.79Å; F196-H212 WeakPolarHBondContact CD1-O 3.39Å; F196-H212 HydrophobicContact CD2-CB 4.03Å; F196-H212 AromaticContact CD2-CG 3.82Å; F196-H212 AromaticContact CD2-ND1 3.93Å; F196-H212 HydrophobicContact CE1-CB 3.99Å; F196-H212 WeakPolarHBondContact CE1-O 3.47Å; F196-H212 HydrophobicContact CE2-CB 4.23Å; F196-H212 HydrophobicContact CG-CB 3.81Å; F196-H212 AromaticContact CG-CD2 3.86Å; F196-H212 AromaticContact CG-CG 3.74Å; F196-H212 HydrophobicContact CZ-CB 4.21Å |
| 197 | H | 94.9 | Very high | 93.3 | Very high | 101 Ų | 101 | 87.1 Ų | 87.1 | 47% | 0.468 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -78.7 | -20.2 | -178.7 | -79.7 | -79.7 | 0 | 0 | 0 | 114.6 | L192 C193 R194 H212 | L192-H197 WeakPolarHBondContact CD2-NE2 3.27Å; C193-H197 PolarHBondContact O-CD2 2.95Å; C193-H197 PolarHBondContact O-N 3.14Å; R194-H197 CarbonylContact O-C 3.54Å; R194-H197 PolarHBondContact O-N 3.18Å; R194-H197 VanDerWaalsContact O-N 3.11Å; H197-H212 PolarHBondContact NE2-O 2.87Å |
| 198 | T | 96.2 | Very high | 93.6 | Very high | 108 Ų | 108 | 81.3 Ų | 81.3 | 66% | 0.663 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -93.8 | -32.8 | 176.6 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | R194 T195 | R194-T198 WeakPolarHBondContact O-CB 3.42Å; R194-T198 WeakPolarHBondContact O-CG2 3.2Å; R194-T198 PolarHBondContact O-N 3.39Å; R194-T198 PolarHBondContact O-OG1 3.47Å; T195-T198 PolarHBondContact O-OG1 3.49Å |
| 199 | I | 95.4 | Very high | 93.8 | Very high | 122 Ų | 122 | 84.2 Ų | 84.2 | 63% | 0.626 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -110.9 | -11.6 | -174.3 | -62.2 | 152.8 | 0 | 0 | 0 | 111.6 | T195 F201 | T195-I199 HydrophobicContact CG2-CD1 3.8Å; T195-I199 WeakPolarHBondContact O-CB 3.11Å; T195-I199 PolarHBondContact O-N 3.29Å; I199-F201 PolarHBondContact O-N 3.41Å |
| 200 | G | 93.4 | Very high | 93.9 | Very high | 55 Ų | 55 | 87.1 Ų | 87.1 | 57% | 0.567 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 77.2 | -4.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F196 | F196-G200 CarbonylContact O-C 3.52Å; F196-G200 WeakPolarHBondContact O-CA 3.41Å; F196-G200 PolarHBondContact O-N 3.21Å |
| 201 | F | 94.8 | Very high | 94.1 | Very high | 136 Ų | 136 | 83.9 Ų | 83.9 | 60% | 0.596 | 42% | 0.421 | S | S | * | . | | | trans | -141.9 | 149 | -176.1 | 176.2 | -103.8 | 0 | 0 | 0 | 111.2 | T195 I199 P203 | T195-F201 CarbonylContact C-O 3.34Å; I199-F201 PolarHBondContact O-N 3.41Å; F201-P203 HydrophobicContact CE1-CB 4.24Å |
| 202 | C | 96.3 | Very high | 94 | Very high | 4 Ų | 4 | 80.7 Ų | 80.7 | 3% | 0.027 | 41% | 0.406 | C | S | . | . | | | trans | -137.3 | 122.7 | 175.6 | 173.2 | 0 | 0 | 0 | 0 | 109.9 | F196 Y204 G205 H212 | F196-C202 HydrophobicContact CB-CB 3.98Å; F196-C202 HydrophobicContact CD2-CB 4.13Å; C202-Y204 PolarHBondContact O-N 3.15Å; C202-Y204 VanDerWaalsContact O-N 3.12Å; C202-G205 PolarHBondContact O-N 3.37Å; C202-H212 WeakPolarHBondContact CB-CE1 3.22Å; C202-H212 WeakPolarHBondContact CB-NE2 3.49Å; C202-H212 VanDerWaalsContact SG-CE1 3.51Å; C202-H212 PolarHBondContact SG-NE2 2.77Å |
| 203 | P | 95.4 | Very high | 93.4 | Very high | 91 Ų | 91 | 82.3 Ų | 82.3 | 59% | 0.591 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -17.3 | -174.9 | 27.8 | -35.9 | 0 | 0 | 0 | 113.5 | F201 G205 | F201-P203 HydrophobicContact CE1-CB 4.24Å; P203-G205 VanDerWaalsContact C-N 3.35Å |
| 204 | Y | 93.5 | Very high | 92.1 | Very high | 159 Ų | 159 | 85.4 Ų | 85.4 | 62% | 0.624 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -16.4 | 175.6 | -56.2 | -69.8 | 0 | 0 | 0 | 113.3 | C202 R207 | C202-Y204 PolarHBondContact O-N 3.15Å; C202-Y204 VanDerWaalsContact O-N 3.12Å; Y204-R207 WeakPolarHBondContact O-CB 3.48Å; Y204-R207 PolarHBondContact O-N 3.29Å; Y204-R207 VanDerWaalsContact O-N 3.16Å |
| 205 | G | 91.5 | Very high | 90.7 | Very high | 22 Ų | 22 | 81.5 Ų | 81.5 | 23% | 0.227 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | 51.3 | -136.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | C202 P203 R207 C208 H212 | C202-G205 PolarHBondContact O-N 3.37Å; P203-G205 VanDerWaalsContact C-N 3.35Å; G205-R207 PolarHBondContact O-N 3Å; G205-R207 VanDerWaalsContact O-N 3.14Å; G205-C208 WeakPolarHBondContact O-CB 3.36Å; G205-C208 PolarHBondContact O-N 3.18Å; G205-C208 VanDerWaalsContact O-N 3.07Å; G205-H212 PolarHBondContact O-CE1 3.46Å |
| 206 | P | 90.3 | Very high | 89.2 | Confident | 105 Ų | 105 | 81.7 Ų | 81.7 | 68% | 0.682 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -66 | -16.7 | -177.8 | 29.1 | -36.1 | 0 | 0 | 0 | 113.5 | C208 | P206-C208 VanDerWaalsContact C-N 3.26Å; P206-C208 PolarHBondContact O-N 2.69Å |
| 207 | R | 89.3 | Confident | 87.4 | Confident | 164 Ų | 164 | 85.8 Ų | 85.8 | 62% | 0.619 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -80.5 | -4.7 | 176.5 | -59.2 | -174.5 | -61.7 | -168.2 | 1.1 | 112.9 | Y204 G205 H209 | Y204-R207 WeakPolarHBondContact O-CB 3.48Å; Y204-R207 PolarHBondContact O-N 3.29Å; Y204-R207 VanDerWaalsContact O-N 3.16Å; G205-R207 PolarHBondContact O-N 3Å; G205-R207 VanDerWaalsContact O-N 3.14Å; R207-H209 PolarHBondContact O-CD2 2.87Å |
| 208 | C | 93.5 | Very high | 85.7 | Confident | 5 Ų | 5 | 91.1 Ų | 91.1 | 3% | 0.034 | 46% | 0.458 | C | S | . | . | | | trans | -57.2 | 142.3 | 174.1 | -161.9 | 0 | 0 | 0 | 0 | 111.2 | Y188 K189 G205 P206 F210 H212 | Y188-C208 PolarHBondContact OH-O 3.26Å; K189-C208 WeakPolarHBondContact CE-O 3.26Å; G205-C208 WeakPolarHBondContact O-CB 3.36Å; G205-C208 PolarHBondContact O-N 3.18Å; G205-C208 VanDerWaalsContact O-N 3.07Å; P206-C208 VanDerWaalsContact C-N 3.26Å; P206-C208 PolarHBondContact O-N 2.69Å; C208-F210 VanDerWaalsContact C-N 3.28Å; C208-H212 VanDerWaalsContact CB-CE1 3.49Å; C208-H212 WeakPolarHBondContact CB-CE1 3.39Å; C208-H212 WeakPolarHBondContact CB-NE2 3.36Å; C208-H212 PolarHBondContact SG-NE2 3.38Å; C208-H212 VanDerWaalsContact SG-NE2 3.41Å |
| 209 | H | 92.2 | Very high | 83.7 | Confident | 116 Ų | 116 | 87.9 Ų | 87.9 | 54% | 0.537 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -85.3 | -4.6 | 176.8 | -64.7 | 177.8 | 0 | 0 | 0 | 113.2 | Y188 K189 R207 | Y188-H209 HydrophobicContact CD2-CB 4.3Å; Y188-H209 HydrophobicContact CE2-CB 4.32Å; Y188-H209 AromaticContact CE2-CD2 3.81Å; K189-H209 WeakPolarHBondContact CA-O 3.45Å; K189-H209 PolarHBondContact N-O 2.81Å; R207-H209 PolarHBondContact O-CD2 2.87Å |
| 210 | F | 94.1 | Very high | 81.7 | Confident | 91 Ų | 91 | 87.2 Ų | 87.2 | 40% | 0.399 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -111.9 | 158.9 | -179.7 | -59.5 | -80.6 | 0 | 0 | 0 | 110.5 | E191 C193 C208 | E191-F210 HydrophobicContact CB-CD1 3.82Å; E191-F210 HydrophobicContact CB-CE1 4.1Å; E191-F210 WeakPolarHBondContact O-CA 2.94Å; E191-F210 WeakPolarHBondContact O-CB 3.32Å; C193-F210 HydrophobicContact CB-CB 3.64Å; C208-F210 VanDerWaalsContact C-N 3.28Å |
| 211 | I | 92.9 | Very high | 79.4 | Confident | 2 Ų | 2 | 90.3 Ų | 90.3 | 1% | 0.01 | 46% | 0.46 | C | S | . | . | B | Isolated β-bridge | trans | -71.1 | 132 | -178.9 | -60.3 | 152.4 | 0 | 0 | 0 | 109.8 | K189 E191 L192 C193 N213 E216 R217 | K189-I211 HydrophobicContact CB-CG1 3.95Å; K189-I211 WeakPolarHBondContact O-CD1 3.26Å; K189-I211 WeakPolarHBondContact O-CG1 3.23Å; E191-I211 PolarHBondContact O-N 3.29Å; L192-I211 HydrophobicContact CD1-CB 4Å; L192-I211 HydrophobicContact CD1-CD1 3.74Å; L192-I211 HydrophobicContact CD1-CG2 4.18Å; L192-I211 HydrophobicContact CG-CB 4.46Å; C193-I211 VanDerWaalsContact CB-O 3.26Å; C193-I211 WeakPolarHBondContact CB-O 3.49Å; C193-I211 PolarHBondContact N-O 3.3Å; I211-N213 VanDerWaalsContact CG2-O 3.23Å; I211-N213 WeakPolarHBondContact CG2-O 3.34Å; I211-E216 HydrophobicContact CG2-CB 4.43Å; I211-R217 HydrophobicContact CD1-CG 3.96Å; I211-R217 HydrophobicContact CG1-CG 4.49Å; I211-R217 HydrophobicContact CG2-CG 3.95Å |
| 212 | H | 92.2 | Very high | 76.9 | Confident | 18 Ų | 18 | 91.8 Ų | 91.8 | 8% | 0.083 | 47% | 0.468 | C | S | . | . | | | trans | -99.9 | -49 | 170.8 | -70.9 | 178.1 | 0 | 0 | 0 | 112.2 | C193 F196 H197 C202 G205 C208 E216 | C193-H212 WeakPolarHBondContact CB-CD2 3.38Å; F196-H212 HydrophobicContact CB-CB 4.46Å; F196-H212 HydrophobicContact CD1-CB 3.79Å; F196-H212 WeakPolarHBondContact CD1-O 3.39Å; F196-H212 HydrophobicContact CD2-CB 4.03Å; F196-H212 AromaticContact CD2-CG 3.82Å; F196-H212 AromaticContact CD2-ND1 3.93Å; F196-H212 HydrophobicContact CE1-CB 3.99Å; F196-H212 WeakPolarHBondContact CE1-O 3.47Å; F196-H212 HydrophobicContact CE2-CB 4.23Å; F196-H212 HydrophobicContact CG-CB 3.81Å; F196-H212 AromaticContact CG-CD2 3.86Å; F196-H212 AromaticContact CG-CG 3.74Å; F196-H212 HydrophobicContact CZ-CB 4.21Å; H197-H212 PolarHBondContact NE2-O 2.87Å; C202-H212 WeakPolarHBondContact CB-CE1 3.22Å; C202-H212 WeakPolarHBondContact CB-NE2 3.49Å; C202-H212 VanDerWaalsContact SG-CE1 3.51Å; C202-H212 PolarHBondContact SG-NE2 2.77Å; G205-H212 PolarHBondContact O-CE1 3.46Å; C208-H212 VanDerWaalsContact CB-CE1 3.49Å; C208-H212 WeakPolarHBondContact CB-CE1 3.39Å; C208-H212 WeakPolarHBondContact CB-NE2 3.36Å; C208-H212 PolarHBondContact SG-NE2 3.38Å; C208-H212 VanDerWaalsContact SG-NE2 3.41Å; H212-E216 PolarHBondContact N-OE2 2.88Å; H212-E216 VanDerWaalsContact N-OE2 3.11Å |
| 213 | N | 82.5 | Confident | 74.3 | Confident | 99 Ų | 99 | 99.9 Ų | 99.9 | 53% | 0.529 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -114.4 | 151.2 | -179.2 | -164.5 | 6.3 | 0 | 0 | 0 | 111.2 | I211 E215 E216 | I211-N213 VanDerWaalsContact CG2-O 3.23Å; I211-N213 WeakPolarHBondContact CG2-O 3.34Å; N213-E215 PolarHBondContact O-N 3.3Å; N213-E216 HydrophobicContact CB-CG 4.31Å; N213-E216 WeakPolarHBondContact O-CB 3.02Å; N213-E216 PolarHBondContact O-N 3.23Å |
| 214 | A | 67.5 | Low | 71.7 | Confident | 69 Ų | 69 | 100.8 Ų | 100.8 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -58.1 | -33.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E216 R217 | A214-E216 VanDerWaalsContact C-N 3.28Å; A214-E216 PolarHBondContact O-N 3.16Å; A214-R217 VanDerWaalsContact O-CB 3.27Å; A214-R217 WeakPolarHBondContact O-CB 3.06Å; A214-R217 WeakPolarHBondContact O-CG 3.48Å; A214-R217 PolarHBondContact O-N 3.18Å; A214-R217 VanDerWaalsContact O-N 3.15Å |
| 215 | E | 67.3 | Low | 69.3 | Low | 126 Ų | 126 | 97 Ų | 97 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -62.3 | -32.9 | 175.7 | -157.5 | 62 | -129.7 | 0 | 0 | 112.4 | N213 R217 R218 | N213-E215 PolarHBondContact O-N 3.3Å; E215-R217 PolarHBondContact O-N 3.43Å; E215-R218 PolarHBondContact O-N 2.89Å; E215-R218 IonicContact OE1-NH1 3.85Å; E215-R218 PolarHBondContact OE1-NH1 3.25Å |
| 216 | E | 63.4 | Low | 67.2 | Low | 61 Ų | 61 | 102.3 Ų | 102.3 | 29% | 0.285 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -70.1 | -11.1 | 178.4 | -56.3 | -165.3 | 124.3 | 0 | 0 | 113.4 | K189 I211 H212 N213 A214 R218 G219 | K189-E216 IonicContact NZ-OE1 3.2Å; K189-E216 PolarHBondContact NZ-OE1 3.11Å; K189-E216 IonicContact NZ-OE2 2.74Å; K189-E216 PolarHBondContact NZ-OE2 2.78Å; I211-E216 HydrophobicContact CG2-CB 4.43Å; H212-E216 PolarHBondContact N-OE2 2.88Å; H212-E216 VanDerWaalsContact N-OE2 3.11Å; N213-E216 HydrophobicContact CB-CG 4.31Å; N213-E216 WeakPolarHBondContact O-CB 3.02Å; N213-E216 PolarHBondContact O-N 3.23Å; A214-E216 VanDerWaalsContact C-N 3.28Å; A214-E216 PolarHBondContact O-N 3.16Å; E216-R218 PolarHBondContact O-N 3.11Å; E216-G219 PolarHBondContact O-N 3.41Å |
| 217 | R | 59.1 | Low | 65 | Low | 148 Ų | 148 | 104.3 Ų | 104.3 | 56% | 0.558 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -64.1 | -18.5 | 176.1 | -70.8 | -173.5 | 170.3 | -89.3 | 22.8 | 113.3 | I211 A214 E215 G219 | I211-R217 HydrophobicContact CD1-CG 3.96Å; I211-R217 HydrophobicContact CG1-CG 4.49Å; I211-R217 HydrophobicContact CG2-CG 3.95Å; A214-R217 VanDerWaalsContact O-CB 3.27Å; A214-R217 WeakPolarHBondContact O-CB 3.06Å; A214-R217 WeakPolarHBondContact O-CG 3.48Å; A214-R217 PolarHBondContact O-N 3.18Å; A214-R217 VanDerWaalsContact O-N 3.15Å; E215-R217 PolarHBondContact O-N 3.43Å; R217-G219 PolarHBondContact O-N 3.08Å |
| 218 | R | 58.1 | Low | 62.7 | Low | 213 Ų | 213 | 102 Ų | 102 | 80% | 0.804 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -79.2 | 3.8 | 179.4 | -77 | 179.3 | 170.5 | 156.2 | -5.7 | 114.3 | E215 E216 | E215-R218 PolarHBondContact O-N 2.89Å; E215-R218 IonicContact OE1-NH1 3.85Å; E215-R218 PolarHBondContact OE1-NH1 3.25Å; E216-R218 PolarHBondContact O-N 3.11Å |
| 219 | G | 55.5 | Low | 60.5 | Low | 39 Ų | 39 | 108.3 Ų | 108.3 | 40% | 0.402 | 59% | 0.59 | S | S | . | * | | | trans | 90.6 | -170.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E216 R217 | E216-G219 PolarHBondContact O-N 3.41Å; R217-G219 PolarHBondContact O-N 3.08Å |
| 220 | P | 52.3 | Low | 58.7 | Low | 108 Ų | 108 | 106.7 Ų | 106.7 | 70% | 0.701 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -61.8 | 143 | 179.7 | 27.2 | -34.1 | 0 | 0 | 0 | 110.3 | Q222 | P220-Q222 PolarHBondContact O-N 3.14Š|
| 221 | P | 45 | Very low | 56.4 | Low | 121 Ų | 121 | 108.3 Ų | 108.3 | 79% | 0.786 | 60% | 0.604 | S | S | * | * | | | trans | -65 | 101.5 | 174.8 | 27.8 | -33.4 | 0 | 0 | 0 | 108.8 | Q223 | P221-Q223 PolarHBondContact O-N 3.07Š|
| 222 | Q | 43.3 | Very low | 54.4 | Low | 167 Ų | 167 | 116.9 Ų | 116.9 | 78% | 0.78 | 64% | 0.641 | S | S | * | * | | | trans | -52.2 | 123.7 | 144.6 | -67.2 | -67.8 | -53.9 | 0 | 0 | 105.3 | P220 S224 | P220-Q222 PolarHBondContact O-N 3.14Å; Q222-S224 PolarHBondContact O-N 3.01Å |
| 223 | Q | 41.7 | Very low | 52.1 | Low | 174 Ų | 174 | 123.6 Ų | 123.6 | 81% | 0.813 | 68% | 0.675 | S | S | * | * | | | trans | -65.1 | 90.4 | 171.2 | -72.8 | 177.5 | -10.4 | 0 | 0 | 107 | P221 S225 | P221-Q223 PolarHBondContact O-N 3.07Å; Q223-S225 VanDerWaalsContact C-N 3.32Å; Q223-S225 PolarHBondContact O-N 3.14Å |
| 224 | S | 41.2 | Very low | 50.4 | Low | 109 Ų | 109 | 125.9 Ų | 125.9 | 76% | 0.762 | 68% | 0.682 | S | S | * | * | | | trans | -68.2 | 95.8 | 175.5 | 55.5 | 0 | 0 | 0 | 0 | 107.5 | Q222 | Q222-S224 PolarHBondContact O-N 3.01Š|
| 225 | S | 43.4 | Very low | 49.6 | Very low | 80 Ų | 80 | 133.7 Ų | 133.7 | 56% | 0.559 | 70% | 0.697 | S | S | * | * | | | trans | -50 | 139.4 | 160.6 | 45.9 | 0 | 0 | 0 | 0 | 108.9 | Q223 L227 | Q223-S225 VanDerWaalsContact C-N 3.32Å; Q223-S225 PolarHBondContact O-N 3.14Å; S225-L227 PolarHBondContact O-N 3.24Å |
| 226 | P | 45.9 | Very low | 48.9 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 87% | 0.87 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -76.1 | 73.6 | 179.8 | 31.7 | -35 | 0 | 0 | 0 | 109.7 | | |
| 227 | L | 43.8 | Very low | 48.2 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | | | trans | -125.2 | 103.4 | 179 | -78.7 | 169.2 | 0 | 0 | 0 | 111.3 | S225 | S225-L227 PolarHBondContact O-N 3.24Š|
| 228 | N | 40.9 | Very low | 47.6 | Very low | 117 Ų | 117 | 141 Ų | 141 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | | | trans | 77 | 80.3 | 156.2 | -158.6 | 23.9 | 0 | 0 | 0 | 118.6 | S230 | N228-S230 PolarHBondContact ND2-O 3.11Å; N228-S230 PolarHBondContact O-N 3.07Å; N228-S230 PolarHBondContact OD1-N 3.45Å |
| 229 | S | 47.3 | Very low | 47.1 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 96% | 0.958 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -70.1 | 55.8 | 156.8 | -62.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 230 | S | 54.3 | Low | 46.7 | Very low | 82 Ų | 82 | 142.7 Ų | 142.7 | 57% | 0.573 | 75% | 0.749 | S | S | * | * | | | trans | -160.3 | 90.4 | 164.7 | -163.9 | 0 | 0 | 0 | 0 | 111.2 | N228 | N228-S230 PolarHBondContact ND2-O 3.11Å; N228-S230 PolarHBondContact O-N 3.07Å; N228-S230 PolarHBondContact OD1-N 3.45Å |
| 231 | N | 46 | Very low | 46.4 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | | | trans | -166.6 | 71.1 | 155.9 | -94.9 | -37.5 | 0 | 0 | 0 | 109.7 | M233 | N231-M233 PolarHBondContact O-N 3.32Š|
| 232 | K | 51.5 | Low | 46.6 | Very low | 181 Ų | 181 | 146.1 Ų | 146.1 | 79% | 0.787 | 75% | 0.749 | S | S | * | * | | | trans | -73.7 | 65.8 | 160.7 | -173.8 | -174.1 | 175.3 | -85.7 | 0 | 108.4 | E234 | K232-E234 IonicContact NZ-OE2 2.73Å; K232-E234 PolarHBondContact NZ-OE2 3.42Å; K232-E234 PolarHBondContact O-N 3.48Å |
| 233 | M | 44.8 | Very low | 47 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 79% | 0.788 | 75% | 0.751 | S | S | * | * | | | trans | -78.4 | 112.6 | 169.1 | 53.6 | -169.9 | -76.5 | 0 | 0 | 108.4 | N231 | N231-M233 PolarHBondContact O-N 3.32Š|
| 234 | E | 46.5 | Very low | 47 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | trans | -66.4 | 137.3 | -170.1 | -159.3 | 143.6 | 114.1 | 0 | 0 | 111.3 | K232 P236 | K232-E234 IonicContact NZ-OE2 2.73Å; K232-E234 PolarHBondContact NZ-OE2 3.42Å; K232-E234 PolarHBondContact O-N 3.48Å; E234-P236 WeakPolarHBondContact O-CD 3.39Å |
| 235 | R | 51.3 | Low | 47.3 | Very low | 233 Ų | 233 | 143.7 Ų | 143.7 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | | | trans | -58.6 | 118.7 | 175.7 | -168.4 | 178.8 | -165.8 | 152.3 | 0.7 | 108.2 | R237 | R235-R237 PolarHBondContact O-N 3.32Š|
| 236 | P | 50.9 | Low | 47 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | | | trans | -60 | 114.6 | -176.7 | -24.9 | 34.5 | 0 | 0 | 0 | 110.5 | E234 L238 | E234-P236 WeakPolarHBondContact O-CD 3.39Å; P236-L238 PolarHBondContact O-N 3.12Å |
| 237 | R | 48.6 | Very low | 46.7 | Very low | 224 Ų | 224 | 144.5 Ų | 144.5 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | | | trans | -64.7 | 121.1 | 165.4 | -88.4 | -168.8 | 71.4 | 163.4 | 2 | 107.3 | R235 Q239 | R235-R237 PolarHBondContact O-N 3.32Å; R237-Q239 VanDerWaalsContact C-N 3.34Å; R237-Q239 PolarHBondContact O-N 3.4Å |
| 238 | L | 47.9 | Very low | 46.4 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | trans | -57.1 | 101.6 | 158.1 | -103.8 | 156.3 | 0 | 0 | 0 | 107.7 | P236 H240 | P236-L238 PolarHBondContact O-N 3.12Å; L238-H240 PolarHBondContact O-N 2.9Å |
| 239 | Q | 47.7 | Very low | 46.6 | Very low | 162 Ų | 162 | 143.6 Ų | 143.6 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | | | trans | -77 | 107.3 | 165.1 | -72.4 | -153.5 | -1 | 0 | 0 | 107.4 | R237 S241 | R237-Q239 VanDerWaalsContact C-N 3.34Å; R237-Q239 PolarHBondContact O-N 3.4Å; Q239-S241 PolarHBondContact O-N 2.99Å |
| 240 | H | 46.8 | Very low | 46.6 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 58% | 0.583 | 76% | 0.757 | S | S | * | * | | | trans | -75.5 | 82.2 | 168.4 | -66 | -99.3 | 0 | 0 | 0 | 108.9 | L238 Y242 | L238-H240 PolarHBondContact O-N 2.9Å; H240-Y242 VanDerWaalsContact C-N 3.29Å; H240-Y242 HydrophobicContact CB-CD1 4.11Å; H240-Y242 HydrophobicContact CB-CE1 3.47Å; H240-Y242 VanDerWaalsContact CB-CE1 3.47Å; H240-Y242 HydrophobicContact CB-CE2 4.32Å; H240-Y242 WeakPolarHBondContact O-CD2 3.49Å; H240-Y242 VanDerWaalsContact O-CE2 3.29Å; H240-Y242 WeakPolarHBondContact O-CE2 3.08Å; H240-Y242 PolarHBondContact O-N 2.99Å |
| 241 | S | 44.7 | Very low | 45.9 | Very low | 104 Ų | 104 | 142.9 Ų | 142.9 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -85.2 | 70 | 170 | 44.7 | 0 | 0 | 0 | 0 | 110.5 | Q239 S243 | Q239-S241 PolarHBondContact O-N 2.99Å; S241-S243 VanDerWaalsContact C-N 3.34Å; S241-S243 PolarHBondContact O-N 2.98Å |
| 242 | Y | 50 | Low | 45.4 | Very low | 196 Ų | 196 | 140.2 Ų | 140.2 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -70.7 | 92.4 | 164.3 | 15.2 | -116.6 | 0 | 0 | 0 | 109.8 | H240 | H240-Y242 VanDerWaalsContact C-N 3.29Å; H240-Y242 HydrophobicContact CB-CD1 4.11Å; H240-Y242 HydrophobicContact CB-CE1 3.47Å; H240-Y242 VanDerWaalsContact CB-CE1 3.47Å; H240-Y242 HydrophobicContact CB-CE2 4.32Å; H240-Y242 WeakPolarHBondContact O-CD2 3.49Å; H240-Y242 VanDerWaalsContact O-CE2 3.29Å; H240-Y242 WeakPolarHBondContact O-CE2 3.08Å; H240-Y242 PolarHBondContact O-N 2.99Å |
| 243 | S | 51.8 | Low | 45.1 | Very low | 117 Ų | 117 | 138 Ų | 138 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -145.6 | 79.3 | 165.9 | -74.3 | 0 | 0 | 0 | 0 | 109.6 | S241 | S241-S243 VanDerWaalsContact C-N 3.34Å; S241-S243 PolarHBondContact O-N 2.98Å |
| 244 | F | 42 | Very low | 44.9 | Very low | 197 Ų | 197 | 139.1 Ų | 139.1 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | | | trans | -128.2 | 90 | 162.1 | -170.3 | -96 | 0 | 0 | 0 | 109.4 | | |
| 245 | A | 47.2 | Very low | 44.5 | Very low | 86 Ų | 86 | 139.5 Ų | 139.5 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | -119.9 | 106.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | F247 | A245-F247 HydrophobicContact CB-CE1 4.42Š|
| 246 | G | 37.9 | Very low | 44 | Very low | 51 Ų | 51 | 134 Ų | 134 | 53% | 0.526 | 77% | 0.765 | S | S | . | * | | | trans | -149.2 | 101.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 247 | F | 39.5 | Very low | 44.1 | Very low | 179 Ų | 179 | 133.1 Ų | 133.1 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | trans | -83.3 | 150.6 | -156.5 | -14.9 | -90.5 | 0 | 0 | 0 | 114.1 | A245 | A245-F247 HydrophobicContact CB-CE1 4.42Š|
| 248 | S | 35.9 | Very low | 43.6 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | | | trans | -156.6 | 136.2 | 140.3 | -81.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 249 | S | 46 | Very low | 43.3 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -80.4 | 144.8 | -167 | -52.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 250 | S | 47.4 | Very low | 43 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | | | | 173.2 | 144.3 | 118.2 | 50.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 251 | G | 39.1 | Very low | 42.8 | Very low | 77 Ų | 77 | 126 Ų | 126 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | trans | 118.7 | 122.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 252 | G | 36.2 | Very low | 43.3 | Very low | 70 Ų | 70 | 126.1 Ų | 126.1 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | trans | -64.5 | 172.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 253 | L | 44.1 | Very low | 43.6 | Very low | 133 Ų | 133 | 122.1 Ų | 122.1 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | | | cis | -170.1 | 152.8 | 48.1 | -79.9 | -76.3 | 0 | 0 | 0 | 111.1 | | |
| 254 | R | 42.4 | Very low | 43.7 | Very low | 185 Ų | 185 | 121.7 Ų | 121.7 | 70% | 0.698 | 76% | 0.763 | S | S | * | * | | | trans | 56.1 | 117.2 | 144.2 | 80 | -170 | 76.7 | -111.7 | 10.7 | 120 | | |
| 255 | D | 36.3 | Very low | 43.6 | Very low | 154 Ų | 154 | 119.1 Ų | 119.1 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | | | trans | 78.7 | 136.4 | 151.5 | -57.4 | -56.4 | 0 | 0 | 0 | 120.9 | | |
| 256 | S | 41.6 | Very low | 43.7 | Very low | 116 Ų | 116 | 124 Ų | 124 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | | | trans | -105.6 | -159.3 | -178.8 | -56.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 257 | P | 52.9 | Low | 44.1 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | | | | -127.4 | -168.3 | -102.8 | 39.8 | -21.6 | 0 | 0 | 0 | 113.5 | | |
| 258 | T | 38.7 | Very low | 44.8 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | | | trans | 65 | 121.6 | 158.1 | 53.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 259 | S | 40.6 | Very low | 45.1 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | | | trans | -148.4 | 88.3 | 140.2 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 260 | V | 41.9 | Very low | 44.6 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -94.1 | 114.7 | 162.4 | 173 | 0 | 0 | 0 | 0 | 106.2 | P262 | V260-P262 WeakPolarHBondContact O-CD 3.35Š|
| 261 | T | 42.9 | Very low | 44.8 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 123.7 | 178.2 | -38.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 262 | P | 54 | Low | 45.3 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 151 | 173.7 | 32.2 | -34 | 0 | 0 | 0 | 111.5 | V260 | V260-P262 WeakPolarHBondContact O-CD 3.35Š|
| 263 | P | 56.2 | Low | 45.5 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 151.3 | 168 | 31.6 | -34.2 | 0 | 0 | 0 | 111 | M265 | P263-M265 PolarHBondContact O-N 3.5Š|
| 264 | P | 54.8 | Low | 45.1 | Very low | 108 Ų | 108 | 143 Ų | 143 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 129.6 | -178.3 | 28.7 | -34 | 0 | 0 | 0 | 112.2 | F266 | P264-F266 HydrophobicContact CB-CE2 4.24Å; P264-F266 HydrophobicContact CG-CE2 4.44Å |
| 265 | M | 41.1 | Very low | 45.3 | Very low | 142 Ų | 142 | 139 Ų | 139 | 70% | 0.7 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 129.7 | 163.8 | -71.4 | -78.6 | -71.6 | 0 | 0 | 109.3 | P263 F267 | P263-M265 PolarHBondContact O-N 3.5Å; M265-F267 HydrophobicContact CB-CD2 4.43Å; M265-F267 HydrophobicContact CB-CE2 4.25Å; M265-F267 HydrophobicContact CE-CD2 4.41Å; M265-F267 HydrophobicContact CE-CE1 4.47Å; M265-F267 HydrophobicContact CE-CE2 3.61Å; M265-F267 HydrophobicContact CE-CZ 3.64Å |
| 266 | F | 48.7 | Very low | 45.5 | Very low | 190 Ų | 190 | 136.6 Ų | 136.6 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | | | trans | -110.2 | 125.9 | 159.5 | -75 | -81.5 | 0 | 0 | 0 | 108.5 | P264 | P264-F266 HydrophobicContact CB-CE2 4.24Å; P264-F266 HydrophobicContact CG-CE2 4.44Å |
| 267 | F | 45.6 | Very low | 45.7 | Very low | 170 Ų | 170 | 136.4 Ų | 136.4 | 75% | 0.746 | 77% | 0.773 | S | S | * | * | | | trans | -89.9 | 161.5 | 177.8 | -89.1 | -88.8 | 0 | 0 | 0 | 111 | M265 | M265-F267 HydrophobicContact CB-CD2 4.43Å; M265-F267 HydrophobicContact CB-CE2 4.25Å; M265-F267 HydrophobicContact CE-CD2 4.41Å; M265-F267 HydrophobicContact CE-CE1 4.47Å; M265-F267 HydrophobicContact CE-CE2 3.61Å; M265-F267 HydrophobicContact CE-CZ 3.64Å |
| 268 | P | 54.5 | Low | 45.4 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | | | trans | -95.5 | 155.3 | -158.5 | 37.2 | -35.4 | 0 | 0 | 0 | 113.5 | | |
| 269 | D | 41.7 | Very low | 45.9 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | | | | -158 | 170.1 | 124.1 | -133.2 | -43.9 | 0 | 0 | 0 | 111.6 | | |
| 270 | E | 35.6 | Very low | 46.2 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | trans | 65.6 | 95.9 | 171 | -60.4 | -167.5 | 114.4 | 0 | 0 | 118.9 | | |
| 271 | V | 51 | Low | 46.3 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | | | trans | -84.7 | 153.8 | 156.8 | -62.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 272 | P | 51.6 | Low | 46.3 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | | -148.6 | 132.8 | 81.3 | 33.3 | -12.3 | 0 | 0 | 0 | 117.6 | | |
| 273 | N | 38.4 | Very low | 46.1 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | trans | 64.8 | 88 | 132.6 | -151.8 | 62.3 | 0 | 0 | 0 | 120.1 | | |
| 274 | W | 37.8 | Very low | 45.8 | Very low | 239 Ų | 239 | 143.2 Ų | 143.2 | 91% | 0.905 | 77% | 0.772 | S | S | * | * | | | trans | -120.1 | 131 | 154.8 | -165.9 | -80.7 | 0 | 0 | 0 | 109.7 | S276 | W274-S276 PolarHBondContact O-N 2.81Š|
| 275 | P | 46 | Very low | 45.7 | Very low | 100 Ų | 100 | 145.9 Ų | 145.9 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | | | trans | -72.9 | 111.2 | -177.6 | 28.4 | -33.4 | 0 | 0 | 0 | 111.3 | S277 | P275-S277 PolarHBondContact O-N 3.31Š|
| 276 | S | 40.9 | Very low | 46.3 | Very low | 104 Ų | 104 | 147 Ų | 147 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -77.9 | 92.1 | 172.9 | 53.1 | 0 | 0 | 0 | 0 | 111.1 | W274 N278 | W274-S276 PolarHBondContact O-N 2.81Å; S276-N278 PolarHBondContact O-N 2.88Å |
| 277 | S | 44.9 | Very low | 46.3 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | | | trans | -81.3 | 98.7 | 175.1 | 40.6 | 0 | 0 | 0 | 0 | 111.9 | P275 | P275-S277 PolarHBondContact O-N 3.31Š|
| 278 | N | 47 | Very low | 46.6 | Very low | 134 Ų | 134 | 141 Ų | 141 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | | | trans | -72.1 | 123.1 | 171.1 | -71 | -27.3 | 0 | 0 | 0 | 110.5 | S276 F280 | S276-N278 PolarHBondContact O-N 2.88Å; N278-F280 VanDerWaalsContact C-N 3.29Å; N278-F280 PolarHBondContact O-N 2.95Å; N278-F280 VanDerWaalsContact O-N 3.1Å |
| 279 | P | 48.6 | Very low | 46.5 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 18.5 | -167.4 | 31.7 | -36.1 | 0 | 0 | 0 | 116.2 | | |
| 280 | F | 46.7 | Very low | 47 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.4 | 23.1 | -169.3 | -76.1 | -68.6 | 0 | 0 | 0 | 117 | N278 | N278-F280 VanDerWaalsContact C-N 3.29Å; N278-F280 PolarHBondContact O-N 2.95Å; N278-F280 VanDerWaalsContact O-N 3.1Å |
| 281 | T | 44.9 | Very low | 47.7 | Very low | 130 Ų | 130 | 143 Ų | 143 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | | | trans | -128.5 | 92.7 | 167.3 | 47.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 282 | Y | 42.8 | Very low | 47.2 | Very low | 201 Ų | 201 | 139.5 Ų | 139.5 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | | | trans | -89.2 | 113.8 | 175.2 | -148.9 | -93.2 | 0 | 0 | 0 | 109.7 | | |
| 283 | S | 48.7 | Very low | 46.8 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | trans | -89.6 | 125.4 | 172.3 | -171.9 | 0 | 0 | 0 | 0 | 109.5 | Q285 | S283-Q285 PolarHBondContact O-N 2.95Š|
| 284 | S | 49.8 | Very low | 46.5 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -86.9 | 59.9 | -165.8 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 285 | Q | 53.1 | Low | 46.8 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | | | trans | -134.6 | -2.5 | -173 | -129 | 72.9 | 50.8 | 0 | 0 | 118.2 | S283 | S283-Q285 PolarHBondContact O-N 2.95Š|
| 286 | E | 54 | Low | 46.5 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | | | trans | -125.8 | 32.3 | -174.7 | -69.1 | -164.1 | 130.3 | 0 | 0 | 116.2 | A288 | E286-A288 VanDerWaalsContact C-N 3.27Å; E286-A288 PolarHBondContact O-N 3.34Å |
| 287 | L | 48.6 | Very low | 46.3 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 6.5 | 175.6 | -82 | 169.8 | 0 | 0 | 0 | 115.3 | | |
| 288 | A | 52.4 | Low | 45.8 | Very low | 88 Ų | 88 | 135.8 Ų | 135.8 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -19.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | E286 | E286-A288 VanDerWaalsContact C-N 3.27Å; E286-A288 PolarHBondContact O-N 3.34Å |
| 289 | N | 51.2 | Low | 45.2 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -109.8 | 10.7 | -163.4 | -69.7 | -16.8 | 0 | 0 | 0 | 115.7 | | |
| 290 | L | 52.6 | Low | 44.6 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -109.2 | 3.7 | -176.1 | -85.2 | 165.9 | 0 | 0 | 0 | 115.6 | | |
| 291 | F | 51.5 | Low | 44 | Very low | 204 Ų | 204 | 129.9 Ų | 129.9 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | | | trans | -129.8 | 73.1 | 175.9 | -67.5 | -72.7 | 0 | 0 | 0 | 112.1 | | |
| 292 | G | 39.8 | Very low | 43.7 | Very low | 62 Ų | 62 | 131.1 Ų | 131.1 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | | | trans | -143.1 | 113.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111 | S294 | G292-S294 PolarHBondContact O-N 3.37Š|
| 293 | P | 43.1 | Very low | 43.7 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | | | trans | -79.8 | 96.7 | 174.6 | 31.4 | -30.8 | 0 | 0 | 0 | 109.2 | | |
| 294 | S | 33.1 | Very low | 43.9 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -89 | 127.8 | 177 | -157.5 | 0 | 0 | 0 | 0 | 111.6 | G292 | G292-S294 PolarHBondContact O-N 3.37Š|
| 295 | L | 42.8 | Very low | 43.2 | Very low | 163 Ų | 163 | 131 Ų | 131 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | trans | -69.2 | 140 | 173.1 | -61.6 | 157.4 | 0 | 0 | 0 | 109.6 | | |
| 296 | S | 39.1 | Very low | 42.3 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -115.3 | 122 | 171.5 | 55.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 297 | T | 37.2 | Very low | 41.5 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | | | trans | -99.4 | 135.4 | 179.6 | -45 | 0 | 0 | 0 | 0 | 109.5 | | |
| 298 | G | 34.8 | Very low | 40.9 | Very low | 68 Ų | 68 | 123.1 Ų | 123.1 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | | | trans | -174.4 | 91.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 299 | T | 34.8 | Very low | 40.9 | Very low | 143 Ų | 143 | 124.4 Ų | 124.4 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | trans | -14.5 | 145.9 | 154 | 50 | 0 | 0 | 0 | 0 | 118.1 | | |
| 300 | A | 36.3 | Very low | 40.7 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | | | cis | -166.5 | 163.1 | 5.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 301 | G | 32.6 | Very low | 40.1 | Very low | 71 Ų | 71 | 122 Ų | 122 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | trans | 136.2 | 105.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 302 | V | 39 | Very low | 40 | Very low | 155 Ų | 155 | 117.7 Ų | 117.7 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | | | trans | 82.5 | 120.9 | 156.8 | -162.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 303 | E | 43.7 | Very low | 39.9 | Very low | 170 Ų | 170 | 121.5 Ų | 121.5 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | -72.4 | -179.1 | 178.5 | -80.3 | -102.4 | 107.7 | 0 | 0 | 115.5 | | |
| 304 | P | 51.6 | Low | 39.5 | Very low | 83 Ų | 83 | 118.5 Ų | 118.5 | 54% | 0.539 | 80% | 0.802 | S | S | . | * | | | cis | -137.4 | 168.9 | -42.6 | 36.6 | -20.8 | 0 | 0 | 0 | 113.9 | | |
| 305 | N | 34.8 | Very low | 39.7 | Very low | 146 Ų | 146 | 119.1 Ų | 119.1 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | | | | -179.7 | 130.3 | 122.2 | -99.4 | -47.7 | 0 | 0 | 0 | 115 | | |
| 306 | S | 36.1 | Very low | 40.4 | Very low | 106 Ų | 106 | 115.8 Ų | 115.8 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | 70.7 | 95 | 141.6 | -58.2 | 0 | 0 | 0 | 0 | 122 | | |
| 307 | A | 35.7 | Very low | 40.4 | Very low | 105 Ų | 105 | 120 Ų | 120 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | | | | 76 | 113 | 121.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 308 | A | 35.7 | Very low | 40.6 | Very low | 97 Ų | 97 | 122 Ų | 122 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | -132.6 | 177.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 309 | P | 52.7 | Low | 40.8 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | | | | -114 | -173.7 | -107.8 | 40.5 | -28.7 | 0 | 0 | 0 | 113.4 | | |
| 310 | P | 47.7 | Very low | 41 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | trans | -132 | 143.6 | 143.3 | 36.1 | -24.8 | 0 | 0 | 0 | 114.2 | | |
| 311 | S | 39.3 | Very low | 41.7 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | -110.1 | 150.2 | 149.5 | -63.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 312 | P | 49.8 | Very low | 41.7 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | | -148 | 141 | 122.9 | 31.8 | -13.8 | 0 | 0 | 0 | 116.3 | | |
| 313 | T | 38.5 | Very low | 42 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | | | trans | 54.1 | 124.4 | 130 | -48.7 | 0 | 0 | 0 | 0 | 122 | | |
| 314 | G | 34 | Very low | 41.4 | Very low | 75 Ų | 75 | 138 Ų | 138 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | 174.7 | 104.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 315 | T | 38.1 | Very low | 40.9 | Very low | 130 Ų | 130 | 139 Ų | 139 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | | | trans | -85.8 | -165.2 | -173.1 | 54.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 316 | P | 57.4 | Low | 42 | Very low | 93 Ų | 93 | 137.4 Ų | 137.4 | 60% | 0.604 | 79% | 0.793 | S | S | * | * | | | | -135.9 | 142.2 | -83.9 | 39.9 | -21.8 | 0 | 0 | 0 | 115.6 | | |
| 317 | Y | 37.9 | Very low | 42.9 | Very low | 215 Ų | 215 | 137.1 Ų | 137.1 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | -141.2 | 111.5 | 173.4 | -80.1 | -82.1 | 0 | 0 | 0 | 118.2 | | |
| 318 | F | 42.9 | Very low | 42.9 | Very low | 187 Ų | 187 | 139 Ų | 139 | 82% | 0.82 | 78% | 0.783 | S | S | * | * | | | trans | 33.1 | 143 | 138.4 | -69.9 | -88.4 | 0 | 0 | 0 | 125.8 | | |
| 319 | F | 37.6 | Very low | 43 | Very low | 200 Ų | 200 | 142.8 Ų | 142.8 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | | | trans | -62.2 | 152.8 | 167.5 | -69.2 | -104.3 | 0 | 0 | 0 | 115.3 | | |
| 320 | R | 39.3 | Very low | 42 | Very low | 244 Ų | 244 | 145.3 Ų | 145.3 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | | | | -164.8 | 149.9 | 117.9 | -113.6 | -169 | 156.5 | -178.8 | -7.4 | 113.3 | | |
| 321 | P | 50.5 | Low | 41.3 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -95.4 | 171.3 | 173.2 | 38.7 | -32.2 | 0 | 0 | 0 | 111.9 | | |
| 322 | M | 34.4 | Very low | 40.9 | Very low | 187 Ų | 187 | 144.9 Ų | 144.9 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | | | trans | -132.5 | 147.1 | 164.1 | -112.6 | -61.4 | 176 | 0 | 0 | 111.6 | | |
| 323 | L | 43.6 | Very low | 40.2 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | trans | -106.6 | -177.5 | -175.4 | -159.4 | 75.2 | 0 | 0 | 0 | 109.4 | | |
| 324 | E | 31.8 | Very low | 40.1 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | 114.3 | 124.6 | 148.8 | -138.3 | 65.1 | -119.9 | 0 | 0 | 116.3 | | |
| 325 | S | 42.2 | Very low | 41.6 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -102.2 | -150.8 | 177.3 | -46.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 326 | P | 57 | Low | 42.3 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | cis | -129.4 | -136.2 | -23.3 | 36.2 | -12.5 | 0 | 0 | 0 | 108.4 | | |
| 327 | P | 55.8 | Low | 41 | Very low | 101 Ų | 101 | 147 Ų | 147 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | | | cis | -137.9 | -179.5 | -21.3 | 29 | -4.8 | 0 | 0 | 0 | 117.1 | | |
| 328 | L | 35.1 | Very low | 41 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | | | trans | 109.7 | 147.1 | 145.1 | -58.9 | -174.8 | 0 | 0 | 0 | 122 | | |
| 329 | F | 36.6 | Very low | 40.6 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | 74.3 | 138.9 | 171.5 | -61 | -84.3 | 0 | 0 | 0 | 119.2 | | |
| 330 | E | 32.5 | Very low | 40.9 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | | | cis | -159.2 | 164.9 | -36.8 | -154.4 | 170.1 | 155.7 | 0 | 0 | 108.7 | | |
| 331 | T | 32.9 | Very low | 41.2 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | -105.1 | 137 | -174 | 47 | 0 | 0 | 0 | 0 | 114.8 | | |
| 332 | S | 32.1 | Very low | 40.8 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | -175.1 | 135.9 | 142 | -88.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 333 | S | 33.3 | Very low | 41.1 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | | | | 86.1 | 131.1 | 53.6 | -59.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 334 | S | 37.8 | Very low | 40.9 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | | | trans | -136.7 | 174.9 | 174.4 | 54.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 335 | P | 65.8 | Low | 41.7 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | | | cis | -110.7 | -155.3 | -29.6 | 39.4 | -22.1 | 0 | 0 | 0 | 109.5 | | |
| 336 | P | 51.7 | Low | 41.6 | Very low | 109 Ų | 109 | 138 Ų | 138 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | | | | -157.2 | 179.7 | 69.1 | 42.1 | -19.2 | 0 | 0 | 0 | 118.9 | | |
| 337 | D | 30.4 | Very low | 40.9 | Very low | 140 Ų | 140 | 138 Ų | 138 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | | | trans | 84.8 | 119 | 141.1 | -98 | -64.3 | 0 | 0 | 0 | 126.8 | | |
| 338 | S | 37.1 | Very low | 40.1 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | | | | 83.9 | 149.5 | 127.5 | -84.3 | 0 | 0 | 0 | 0 | 125.6 | | |
| 339 | L | 35.5 | Very low | 40.7 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | 79.5 | 139.2 | 165.1 | -50.4 | -166.4 | 0 | 0 | 0 | 117.7 | | |
| 340 | S | 44.3 | Very low | 40.7 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | cis | -159.9 | 165 | -6.4 | -95.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 341 | D | 44.3 | Very low | 41.6 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | | | trans | -58.6 | 148.1 | 166.9 | -60.8 | -91.7 | 0 | 0 | 0 | 113.9 | | |
| 342 | Q | 42 | Very low | 41.9 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -146.8 | 101.6 | 151.1 | -172.7 | 68.4 | 69.2 | 0 | 0 | 109.2 | | |
| 343 | E | 41.5 | Very low | 42.5 | Very low | 159 Ų | 159 | 134 Ų | 134 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | -73.3 | 131.5 | 163.3 | 45.7 | -172.2 | 83.4 | 0 | 0 | 109.7 | | |
| 344 | D | 40.3 | Very low | 43.2 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | -149 | 137 | 162.3 | -146.3 | -52.2 | 0 | 0 | 0 | 110.4 | | |
| 345 | Y | 46.9 | Very low | 43.6 | Very low | 206 Ų | 206 | 134.2 Ų | 134.2 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | | | trans | -102 | 124.4 | -174.8 | -91.9 | -104.3 | 0 | 0 | 0 | 109.5 | | |
| 346 | Q | 40.1 | Very low | 42.8 | Very low | 187 Ų | 187 | 136.2 Ų | 136.2 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | -148.5 | 104 | 155 | -117.2 | 160.4 | 62.6 | 0 | 0 | 112.7 | | |
| 347 | S | 43.3 | Very low | 42.6 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -71.8 | 132.2 | 167.1 | -61.9 | 0 | 0 | 0 | 0 | 110 | | |
| 348 | S | 39.2 | Very low | 43.9 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -149.1 | 112.7 | 157.6 | -83.9 | 0 | 0 | 0 | 0 | 110.8 | G350 | S348-G350 PolarHBondContact O-N 2.63Š|
| 349 | S | 46.8 | Very low | 44.8 | Very low | 136 Ų | 136 | 134 Ų | 134 | 95% | 0.951 | 77% | 0.773 | S | S | * | * | | | trans | -71 | 102.4 | 168.9 | -62.7 | 0 | 0 | 0 | 0 | 109 | | |
| 350 | G | 36.9 | Very low | 45.9 | Very low | 62 Ų | 62 | 136.4 Ų | 136.4 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | | | trans | -118.1 | 98.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S348 E352 | S348-G350 PolarHBondContact O-N 2.63Å; G350-E352 PolarHBondContact O-N 3.19Å |
| 351 | S | 51.4 | Low | 46.7 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 92% | 0.923 | 76% | 0.762 | S | S | * | * | | | trans | -87.5 | 85 | 172.3 | 58 | 0 | 0 | 0 | 0 | 110.1 | | |
| 352 | E | 38.4 | Very low | 47.6 | Very low | 180 Ų | 180 | 136.6 Ų | 136.6 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | | | trans | -117.8 | 121.8 | 171.5 | 60.5 | -173.1 | 95.1 | 0 | 0 | 111.6 | G350 | G350-E352 PolarHBondContact O-N 3.19Š|
| 353 | S | 45.3 | Very low | 48.5 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 137.5 | 173.4 | -61.7 | 0 | 0 | 0 | 0 | 109.3 | S355 | S353-S355 PolarHBondContact O-N 3.08Å; S353-S355 VanDerWaalsContact O-N 3.14Å |
| 354 | P | 48.2 | Very low | 49.1 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 118.6 | 178.9 | 27.1 | -33.6 | 0 | 0 | 0 | 110.1 | L356 | P354-L356 PolarHBondContact O-N 3.17Š|
| 355 | S | 47.3 | Very low | 49.6 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -65 | 127.3 | 169.5 | 52.4 | 0 | 0 | 0 | 0 | 109.3 | S353 D357 | S353-S355 PolarHBondContact O-N 3.08Å; S353-S355 VanDerWaalsContact O-N 3.14Å; S355-D357 PolarHBondContact O-N 3.33Å |
| 356 | L | 47.6 | Very low | 50 | Low | 159 Ų | 159 | 125.2 Ų | 125.2 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | | | trans | -77.6 | 91.9 | 179.9 | -69.1 | 176.4 | 0 | 0 | 0 | 109.8 | P354 N358 | P354-L356 PolarHBondContact O-N 3.17Å; L356-N358 PolarHBondContact O-N 3.1Å |
| 357 | D | 47.9 | Very low | 50.9 | Low | 72 Ų | 72 | 127 Ų | 127 | 39% | 0.385 | 72% | 0.721 | S | S | . | * | | | trans | -54 | 106.1 | 166.5 | 174.2 | -155.5 | 0 | 0 | 0 | 109.8 | S355 S359 R360 | S355-D357 PolarHBondContact O-N 3.33Å; D357-S359 PolarHBondContact O-N 3.17Å; D357-S359 VanDerWaalsContact O-N 3.08Å; D357-S359 WeakPolarHBondContact OD2-CB 3.15Å; D357-S359 PolarHBondContact OD2-N 3.43Å; D357-S359 PolarHBondContact OD2-OG 2.91Å; D357-R360 IonicContact OD1-CZ 2.69Å; D357-R360 IonicContact OD1-NE 3.29Å; D357-R360 PolarHBondContact OD1-NE 2.74Å; D357-R360 IonicContact OD1-NH2 2.8Å; D357-R360 PolarHBondContact OD1-NH2 3.04Å |
| 358 | N | 56.8 | Low | 51.3 | Low | 121 Ų | 121 | 129.4 Ų | 129.4 | 65% | 0.647 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -71.5 | -5 | -173.1 | -145.5 | 35 | 0 | 0 | 0 | 112.5 | L356 R360 | L356-N358 PolarHBondContact O-N 3.1Å; N358-R360 VanDerWaalsContact C-N 3.29Å; N358-R360 PolarHBondContact O-N 2.78Å |
| 359 | S | 57.9 | Low | 52.2 | Low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -77.5 | -5.9 | -176 | -41.4 | 0 | 0 | 0 | 0 | 114.4 | D357 | D357-S359 PolarHBondContact O-N 3.17Å; D357-S359 VanDerWaalsContact O-N 3.08Å; D357-S359 WeakPolarHBondContact OD2-CB 3.15Å; D357-S359 PolarHBondContact OD2-N 3.43Å; D357-S359 PolarHBondContact OD2-OG 2.91Å |
| 360 | R | 57.4 | Low | 52.3 | Low | 210 Ų | 210 | 129.4 Ų | 129.4 | 79% | 0.792 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -121.8 | 17.1 | -174.7 | -57.7 | 177.3 | -141.6 | -104.3 | -12.2 | 113.9 | D357 N358 | D357-R360 IonicContact OD1-CZ 2.69Å; D357-R360 IonicContact OD1-NE 3.29Å; D357-R360 PolarHBondContact OD1-NE 2.74Å; D357-R360 IonicContact OD1-NH2 2.8Å; D357-R360 PolarHBondContact OD1-NH2 3.04Å; N358-R360 VanDerWaalsContact C-N 3.29Å; N358-R360 PolarHBondContact O-N 2.78Å |
| 361 | R | 61 | Low | 52.8 | Low | 139 Ų | 139 | 132.3 Ų | 132.3 | 53% | 0.525 | 72% | 0.72 | S | S | . | * | | | trans | -79.3 | 133.5 | 176 | -111.9 | -177.2 | -178.2 | -148 | 2.6 | 111.5 | F365 | R361-F365 HydrophobicContact CG-CB 4.25Å; R361-F365 PolarHBondContact NH1-O 3.48Å |
| 362 | L | 63.8 | Low | 52.6 | Low | 118 Ų | 118 | 134.3 Ų | 134.3 | 62% | 0.618 | 72% | 0.72 | S | S | * | * | | | trans | -61.3 | 144 | 171.3 | -63.8 | 171.2 | 0 | 0 | 0 | 110.2 | I364 F365 | L362-I364 PolarHBondContact O-N 3.34Å; L362-F365 HydrophobicContact CB-CD2 4.36Å; L362-F365 PolarHBondContact O-N 3.44Å |
| 363 | P | 60 | Low | 52.9 | Low | 115 Ų | 115 | 138.3 Ų | 138.3 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -54.6 | -23.7 | -173 | -28.7 | 34.9 | 0 | 0 | 0 | 115.9 | F365 | P363-F365 PolarHBondContact O-N 3.17Š|
| 364 | I | 55.5 | Low | 53.3 | Low | 139 Ų | 139 | 139.6 Ų | 139.6 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -62.4 | -28.8 | 177.4 | -69.1 | 169.7 | 0 | 0 | 0 | 112.2 | L362 | L362-I364 PolarHBondContact O-N 3.34Š|
| 365 | F | 50.9 | Low | 53.6 | Low | 102 Ų | 102 | 140.6 Ų | 140.6 | 45% | 0.447 | 74% | 0.735 | S | S | . | * | G | 310 helix | trans | -100.2 | 9.5 | -171.4 | -67.4 | -71.2 | 0 | 0 | 0 | 114.9 | R361 L362 P363 | R361-F365 HydrophobicContact CG-CB 4.25Å; R361-F365 PolarHBondContact NH1-O 3.48Å; L362-F365 HydrophobicContact CB-CD2 4.36Å; L362-F365 PolarHBondContact O-N 3.44Å; P363-F365 PolarHBondContact O-N 3.17Å |
| 366 | S | 54.9 | Low | 53.9 | Low | 78 Ų | 78 | 142.1 Ų | 142.1 | 55% | 0.545 | 73% | 0.731 | S | S | . | * | S | Bend | trans | -90.9 | 7.4 | 179 | -49.4 | 0 | 0 | 0 | 0 | 114 | | |
| 367 | R | 57.7 | Low | 54.3 | Low | 225 Ų | 225 | 141.1 Ų | 141.1 | 85% | 0.849 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -112.7 | 10.9 | -172.6 | -79.5 | -80.1 | 163 | 148.5 | -6.6 | 115 | | |
| 368 | L | 52 | Low | 54.7 | Low | 160 Ų | 160 | 145.4 Ų | 145.4 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -128.1 | 19.9 | -177.8 | -68.8 | 174.2 | 0 | 0 | 0 | 113.7 | | |
| 369 | S | 57.8 | Low | 54.6 | Low | 87 Ų | 87 | 147 Ų | 147 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | | | trans | -129.4 | 72.3 | 173.5 | 58.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 370 | I | 49.4 | Very low | 54.3 | Low | 167 Ų | 167 | 150.1 Ų | 150.1 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | | | trans | -110.7 | 129 | 152.7 | 49.3 | 167.4 | 0 | 0 | 0 | 106.4 | | |
| 371 | S | 47.8 | Very low | 54.1 | Low | 122 Ų | 122 | 145.5 Ų | 145.5 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | | | trans | -76.6 | 152.4 | 175.5 | -58.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 372 | D | 47.6 | Very low | 53.5 | Low | 174 Ų | 174 | 146 Ų | 146 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | | | trans | -79.2 | 120 | 172.7 | -158.8 | -118.1 | 0 | 0 | 0 | 108.6 | | |
| 373 | E | 44.7 | Very low | 52.6 | Low | 265 Ų | 265 | 148.5 Ų | 148.5 | 100% | 1.238 | 78% | 0.784 | S | S | * | * | | | trans | -151.5 | 0 | 165.9 | -172.9 | 156.6 | 77.1 | 0 | 0 | 110 | | |