| 1 | M | 37.1 | Very low | 43.9 | Very low | 235 Ų | 235 | 153.2 Ų | 153.2 | 100% | 1.158 | 80% | 0.801 | S | S | * | * | | | | 0 | 160.2 | 0 | -78.1 | 65.5 | 149 | 0 | 0 | 109.4 | | |
| 2 | N | 40.2 | Very low | 43.8 | Very low | 154 Ų | 154 | 149.7 Ų | 149.7 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | | | trans | -38.2 | 153.8 | 179.7 | -56.3 | -48.5 | 0 | 0 | 0 | 117.8 | | |
| 3 | R | 43.4 | Very low | 43.8 | Very low | 223 Ų | 223 | 148.2 Ų | 148.2 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | | | trans | 135.5 | 142.1 | 137.6 | -76.6 | -168.5 | 142.9 | 149.8 | -3 | 112.7 | | |
| 4 | E | 46.7 | Very low | 43.7 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | cis | -160.1 | 158.4 | -26.1 | -123.9 | 173.9 | 104.8 | 0 | 0 | 106.3 | | |
| 5 | K | 48 | Very low | 43.8 | Very low | 182 Ų | 182 | 141.1 Ų | 141.1 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | trans | -118.5 | 115 | -170.6 | -174.3 | -168.2 | -178.5 | -168.8 | 0 | 111.7 | | |
| 6 | V | 49.3 | Very low | 44.6 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | trans | -148.2 | 118.7 | 170 | -171.8 | 0 | 0 | 0 | 0 | 106.5 | | |
| 7 | Q | 41.6 | Very low | 45.4 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 65% | 0.645 | 80% | 0.795 | S | S | * | * | | | cis | 87.2 | 86.9 | 25.3 | -158.2 | 73.9 | 29.7 | 0 | 0 | 115.8 | | |
| 8 | V | 42.9 | Very low | 45.2 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | | | trans | 63.4 | 135.1 | 140.9 | 178.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 9 | G | 40.2 | Very low | 45.5 | Very low | 72 Ų | 72 | 135.8 Ų | 135.8 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | | | trans | -167.5 | 74 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 10 | D | 41.1 | Very low | 45.2 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | trans | -78.4 | 134.7 | 170.7 | -169.2 | -72.6 | 0 | 0 | 0 | 109.7 | S12 | D10-S12 PolarHBondContact OD1-N 3.47Š|
| 11 | V | 52.2 | Low | 44.9 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | trans | -127 | 92.9 | 175.4 | 175.4 | 0 | 0 | 0 | 0 | 109.5 | V13 | V11-V13 HydrophobicContact CG1-CG2 4.18Š|
| 12 | S | 42.8 | Very low | 45.1 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | -80.1 | 135.1 | 165.2 | -139.2 | 0 | 0 | 0 | 0 | 110.3 | D10 | D10-S12 PolarHBondContact OD1-N 3.47Š|
| 13 | V | 43.9 | Very low | 45.1 | Very low | 131 Ų | 131 | 124.6 Ų | 124.6 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | -126.7 | 121.6 | 169.5 | 177.9 | 0 | 0 | 0 | 0 | 109 | V11 | V11-V13 HydrophobicContact CG1-CG2 4.18Š|
| 14 | A | 42 | Very low | 45 | Very low | 95 Ų | 95 | 122.8 Ų | 122.8 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 157.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 15 | A | 45 | Very low | 44.7 | Very low | 94 Ų | 94 | 121.6 Ų | 121.6 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 149.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 16 | P | 57 | Low | 44.5 | Very low | 121 Ų | 121 | 117.3 Ų | 117.3 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 155.3 | 169.8 | 33.2 | -33.6 | 0 | 0 | 0 | 112.5 | | |
| 17 | P | 57.6 | Low | 44 | Very low | 121 Ų | 121 | 116.7 Ų | 116.7 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 160.1 | -166.1 | 35.5 | -37.3 | 0 | 0 | 0 | 115 | | |
| 18 | A | 43.2 | Very low | 44.1 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 148.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 19 | S | 49.4 | Very low | 44 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | -151.8 | 122.4 | 164.4 | -72.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 20 | G | 39.7 | Very low | 44.1 | Very low | 72 Ų | 72 | 120.3 Ų | 120.3 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | trans | -124.7 | 142.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 21 | V | 39.1 | Very low | 43.8 | Very low | 139 Ų | 139 | 117.8 Ų | 117.8 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | | | trans | -152.4 | 141 | 164.3 | -128.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 22 | T | 42.1 | Very low | 43.4 | Very low | 121 Ų | 121 | 116.1 Ų | 116.1 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | 71.8 | 113.6 | 149.5 | -36.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 23 | A | 39.8 | Very low | 43.9 | Very low | 93 Ų | 93 | 116 Ų | 116 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -73.9 | 149.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 24 | Q | 42.5 | Very low | 43.6 | Very low | 186 Ų | 186 | 118.2 Ų | 118.2 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | | | trans | -134.7 | 127.7 | 155.3 | -77.8 | -164.7 | 73.4 | 0 | 0 | 111.3 | | |
| 25 | T | 39.3 | Very low | 43.3 | Very low | 131 Ų | 131 | 118.4 Ų | 118.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -63.3 | 130.5 | 172.1 | -58.9 | 0 | 0 | 0 | 0 | 111 | V27 | T25-V27 HydrophobicContact CG2-CG2 3.88Š|
| 26 | A | 43.4 | Very low | 43.3 | Very low | 93 Ų | 93 | 122.8 Ų | 122.8 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | -123 | 106.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 27 | V | 40.1 | Very low | 42.4 | Very low | 118 Ų | 118 | 123 Ų | 123 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | | | trans | -82.6 | 123.9 | 173.8 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | T25 V29 | T25-V27 HydrophobicContact CG2-CG2 3.88Å; V27-V29 HydrophobicContact CG1-CG2 3.94Å |
| 28 | I | 43.1 | Very low | 41.4 | Very low | 163 Ų | 163 | 124.7 Ų | 124.7 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | trans | -116 | 102.8 | 165.7 | -59.8 | -178.3 | 0 | 0 | 0 | 108.3 | | |
| 29 | V | 41.5 | Very low | 41.3 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | -90.2 | 163 | 163.1 | 169.1 | 0 | 0 | 0 | 0 | 108.3 | V27 | V27-V29 HydrophobicContact CG1-CG2 3.94Š|
| 30 | V | 40.4 | Very low | 40.5 | Very low | 134 Ų | 134 | 126.4 Ų | 126.4 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | trans | 118.4 | 81 | 174.7 | 176.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 31 | A | 35.9 | Very low | 40.5 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | | 78.7 | 112.7 | 70.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 32 | A | 43.5 | Very low | 40.4 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | trans | -74.8 | 164 | 154.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 33 | P | 53.7 | Low | 40 | Very low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | | -135.7 | 137.5 | 110.1 | 14.7 | 6.9 | 0 | 0 | 0 | 113.6 | | |
| 34 | E | 36.7 | Very low | 39.9 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | | | | 83.8 | 117.7 | 115.6 | -66.8 | -179 | 143.6 | 0 | 0 | 115 | | |
| 35 | S | 37.3 | Very low | 39.4 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | | | | 76 | 109.2 | 57.5 | -165.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 36 | M | 43.5 | Very low | 39.3 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | | | trans | -156.9 | 142.2 | 147.5 | -112.6 | 179.8 | 73.2 | 0 | 0 | 110.8 | | |
| 37 | D | 39.1 | Very low | 39 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 68% | 0.679 | 79% | 0.791 | S | S | * | * | | | trans | -96.5 | 154.7 | -162.7 | -33.8 | -105.4 | 0 | 0 | 0 | 111.9 | | |
| 38 | N | 35.4 | Very low | 38.8 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | | | | -167.6 | 158.7 | 120.5 | -117.5 | -67.2 | 0 | 0 | 0 | 117.2 | | |
| 39 | H | 41.1 | Very low | 38.6 | Very low | 185 Ų | 185 | 140.6 Ų | 140.6 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | | | trans | -65 | 161.4 | 177 | -77.1 | -93.5 | 0 | 0 | 0 | 114.7 | | |
| 40 | G | 33.1 | Very low | 38.3 | Very low | 74 Ų | 74 | 140.3 Ų | 140.3 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | | | trans | 175.2 | 63 | 162 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 41 | E | 39.6 | Very low | 38.1 | Very low | 183 Ų | 183 | 139.8 Ų | 139.8 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | | | trans | -61.3 | 136.2 | 164.6 | -56.2 | 178 | 108.4 | 0 | 0 | 110.6 | | |
| 42 | K | 37.7 | Very low | 38.1 | Very low | 219 Ų | 219 | 145.6 Ų | 145.6 | 95% | 0.952 | 81% | 0.811 | S | S | * | * | | | trans | -171 | 161.1 | 142.4 | -99.8 | 140.4 | -148.3 | 174.9 | 0 | 113.2 | | |
| 43 | R | 33.8 | Very low | 37.7 | Very low | 216 Ų | 216 | 145.5 Ų | 145.5 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | | | trans | -115.3 | 159.2 | -160.7 | -165.2 | -165.8 | 171.8 | -173.2 | -2.4 | 109.9 | | |
| 44 | L | 36.6 | Very low | 36.7 | Very low | 144 Ų | 144 | 146 Ų | 146 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | | | trans | 86.1 | 139.3 | 159 | -53 | 175.9 | 0 | 0 | 0 | 120.7 | | |
| 45 | S | 31.6 | Very low | 37.4 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | | | trans | 100.3 | 148.4 | 137 | -145.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 46 | A | 37.5 | Very low | 37 | Very low | 79 Ų | 79 | 142.6 Ų | 142.6 | 65% | 0.653 | 82% | 0.816 | S | S | * | * | | | trans | -109.1 | 179.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 47 | N | 36.9 | Very low | 36.5 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | | | trans | 64.9 | 103.6 | 163.4 | -67.4 | -9.6 | 0 | 0 | 0 | 118.1 | | |
| 48 | A | 35.8 | Very low | 36.5 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | | | trans | -142.7 | 117.9 | 140.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 49 | L | 40.8 | Very low | 36.5 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 94% | 0.937 | 82% | 0.822 | S | S | * | * | | | trans | -75.7 | 133.6 | 173 | -71.9 | 159.5 | 0 | 0 | 0 | 109.5 | | |
| 50 | S | 34.6 | Very low | 36.4 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | | | trans | -112.8 | 99.1 | 169 | 40.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 51 | V | 35 | Very low | 36.9 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 75% | 0.745 | 82% | 0.823 | S | S | * | * | | | trans | -76.5 | 127.9 | 170.2 | 173.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 52 | F | 37.1 | Very low | 36.7 | Very low | 208 Ų | 208 | 144.2 Ų | 144.2 | 91% | 0.912 | 82% | 0.817 | S | S | * | * | | | trans | -104 | 120 | 165.3 | -105.5 | -87.8 | 0 | 0 | 0 | 109.6 | | |
| 53 | S | 34.8 | Very low | 36.7 | Very low | 91 Ų | 91 | 137.4 Ų | 137.4 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | | | trans | -105.2 | 162.5 | 172.7 | -71.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 54 | C | 32.4 | Very low | 36.7 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | 107.3 | 153.4 | 148.5 | -65.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 55 | P | 51.3 | Low | 36.7 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | cis | -142.7 | 175.5 | -33.8 | 37.7 | -21 | 0 | 0 | 0 | 114.9 | | |
| 56 | G | 30.3 | Very low | 37.1 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | | | trans | 105.3 | 127.1 | 137.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 57 | G | 32.1 | Very low | 37.1 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | | | trans | 156.5 | 106.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 58 | R | 39.9 | Very low | 37.1 | Very low | 231 Ų | 231 | 139 Ų | 139 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -79.6 | 158.1 | 170.2 | -68.8 | 169 | 151 | 172.8 | -10.1 | 108.7 | | |
| 59 | D | 35.3 | Very low | 37.1 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | | -161.4 | 170.9 | 75.1 | -81.1 | -44.5 | 0 | 0 | 0 | 114.5 | | |
| 60 | I | 38.3 | Very low | 37.2 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | | | trans | -126 | 129.7 | -168.8 | -72.3 | 159.8 | 0 | 0 | 0 | 111 | | |
| 61 | L | 43.7 | Very low | 37.3 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | | | trans | -150.1 | 122.7 | 150.2 | -69.1 | 179.1 | 0 | 0 | 0 | 106.2 | | |
| 62 | Q | 36.2 | Very low | 37.5 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 73% | 0.729 | 80% | 0.799 | S | S | * | * | | | cis | 100.8 | 113.7 | 30.7 | -171.5 | 73.5 | 66.6 | 0 | 0 | 112.8 | | |
| 63 | A | 35.9 | Very low | 37.7 | Very low | 76 Ų | 76 | 143.7 Ų | 143.7 | 63% | 0.628 | 79% | 0.79 | S | S | * | * | | | trans | 68.2 | 152.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 64 | D | 33.8 | Very low | 38.1 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | | | cis | -152 | -176.9 | -13 | -137.1 | -70.2 | 0 | 0 | 0 | 112.2 | | |
| 65 | S | 37.8 | Very low | 38.6 | Very low | 92 Ų | 92 | 142.4 Ų | 142.4 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | | | trans | -98.3 | 151 | -173.5 | -52.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 66 | R | 39.9 | Very low | 38.4 | Very low | 228 Ų | 228 | 142.8 Ų | 142.8 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | | 151.5 | 135 | 120.7 | -83.3 | 167.7 | 178.3 | 178.8 | 0.2 | 116.8 | | |
| 67 | N | 37.3 | Very low | 39.2 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | | | trans | 66.5 | 120.6 | 139.5 | -69.5 | -5.1 | 0 | 0 | 0 | 124.7 | | |
| 68 | N | 36.3 | Very low | 40.1 | Very low | 158 Ų | 158 | 146 Ų | 146 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | 82.9 | 136.3 | 135.2 | -86.6 | -31.3 | 0 | 0 | 0 | 123.5 | | |
| 69 | S | 35.5 | Very low | 40.6 | Very low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -60.8 | 170.5 | 175.5 | -100.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 70 | P | 43.6 | Very low | 41.2 | Very low | 116 Ų | 116 | 141 Ų | 141 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | cis | -142.2 | 158.1 | 25.6 | 39.3 | -19.4 | 0 | 0 | 0 | 119.8 | | |
| 71 | R | 37.4 | Very low | 42 | Very low | 238 Ų | 238 | 142.2 Ų | 142.2 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | | | trans | 48.4 | 102.9 | 139 | -163.7 | -175.9 | -158.4 | -121.5 | 5.5 | 119.9 | | |
| 72 | Q | 38.3 | Very low | 42.2 | Very low | 197 Ų | 197 | 142 Ų | 142 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | | | trans | -153.5 | 145.1 | 136.9 | -116.5 | 169.4 | 52.5 | 0 | 0 | 111.9 | | |
| 73 | E | 41.7 | Very low | 42.9 | Very low | 157 Ų | 157 | 143.1 Ų | 143.1 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | -97.7 | 142.5 | -177.9 | -151.1 | -81.8 | 156.1 | 0 | 0 | 109.1 | A75 | E73-A75 VanDerWaalsContact CD-N 3.33Å; E73-A75 PolarHBondContact OE1-N 3.04Å; E73-A75 PolarHBondContact OE2-N 3.09Å |
| 74 | P | 43.5 | Very low | 43.8 | Very low | 114 Ų | 114 | 150.9 Ų | 150.9 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | | | trans | -142.5 | 117.8 | 140.2 | 33.6 | -17.6 | 0 | 0 | 0 | 114.5 | | |
| 75 | A | 42.5 | Very low | 44.6 | Very low | 67 Ų | 67 | 149.7 Ų | 149.7 | 55% | 0.554 | 80% | 0.796 | S | S | * | * | | | trans | 38.5 | 126.8 | 139.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | E73 V77 | E73-A75 VanDerWaalsContact CD-N 3.33Å; E73-A75 PolarHBondContact OE1-N 3.04Å; E73-A75 PolarHBondContact OE2-N 3.09Å; A75-V77 PolarHBondContact O-N 3.44Å |
| 76 | P | 46.9 | Very low | 45.8 | Very low | 131 Ų | 131 | 151.4 Ų | 151.4 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | trans | -71.3 | 118.5 | -175.2 | 29.5 | -35.4 | 0 | 0 | 0 | 113.2 | | |
| 77 | V | 47.1 | Very low | 46.8 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | | | trans | -72.7 | 127.1 | 168.8 | -162.6 | 0 | 0 | 0 | 0 | 109.2 | A75 M79 | A75-V77 PolarHBondContact O-N 3.44Å; V77-M79 PolarHBondContact O-N 3.23Å; V77-M79 VanDerWaalsContact O-N 3.16Å |
| 78 | A | 50.9 | Low | 47.9 | Very low | 96 Ų | 96 | 146.3 Ų | 146.3 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | | | trans | -65.2 | 114.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 79 | M | 50.2 | Low | 49.7 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | | | trans | -70 | 133.8 | 171.6 | -67.9 | -71.8 | -99.4 | 0 | 0 | 110.1 | V77 M81 | V77-M79 PolarHBondContact O-N 3.23Å; V77-M79 VanDerWaalsContact O-N 3.16Å; M79-M81 PolarHBondContact O-N 3.42Å |
| 80 | P | 48.4 | Very low | 51.3 | Low | 116 Ų | 116 | 140.9 Ų | 140.9 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | trans | -66 | 135 | 178.6 | 27.4 | -33.6 | 0 | 0 | 0 | 110.4 | L82 | P80-L82 PolarHBondContact O-N 2.96Š|
| 81 | M | 54.7 | Low | 52.5 | Low | 169 Ų | 169 | 141.7 Ų | 141.7 | 83% | 0.833 | 76% | 0.761 | S | S | * | * | | | trans | -55.3 | 104.4 | 179.6 | -71.7 | -94.3 | 93.5 | 0 | 0 | 111.2 | M79 H83 | M79-M81 PolarHBondContact O-N 3.42Å; M81-H83 PolarHBondContact O-N 2.81Å; M81-H83 VanDerWaalsContact O-N 3.12Å |
| 82 | L | 48.2 | Very low | 54.2 | Low | 169 Ų | 169 | 132.4 Ų | 132.4 | 89% | 0.885 | 73% | 0.729 | S | S | * | * | | | trans | -59.9 | 117.6 | 166.3 | -83.6 | 167.9 | 0 | 0 | 0 | 108.2 | P80 R84 | P80-L82 PolarHBondContact O-N 2.96Å; L82-R84 PolarHBondContact O-N 2.88Å |
| 83 | H | 51.4 | Low | 56 | Low | 179 Ų | 179 | 127.8 Ų | 127.8 | 83% | 0.829 | 71% | 0.709 | S | S | * | * | | | trans | -56.9 | 109.8 | 176.6 | -68.3 | -110 | 0 | 0 | 0 | 108.3 | M81 T85 | M81-H83 PolarHBondContact O-N 2.81Å; M81-H83 VanDerWaalsContact O-N 3.12Å; H83-T85 PolarHBondContact O-N 3.39Å |
| 84 | R | 53.5 | Low | 57.4 | Low | 240 Ų | 240 | 126.8 Ų | 126.8 | 91% | 0.906 | 71% | 0.709 | S | S | * | * | | | trans | -59.7 | 97.5 | -177.4 | -170.3 | -178.8 | -171.5 | -170.4 | 3.8 | 108.8 | L82 T86 | L82-R84 PolarHBondContact O-N 2.88Å; R84-T86 PolarHBondContact O-N 2.91Å |
| 85 | T | 51.5 | Low | 58.8 | Low | 121 Ų | 121 | 124.6 Ų | 124.6 | 74% | 0.742 | 69% | 0.69 | S | S | * | * | | | trans | -56.4 | 126.6 | 173.2 | 50 | 0 | 0 | 0 | 0 | 107.1 | H83 S87 | H83-T85 PolarHBondContact O-N 3.39Å; T85-S87 PolarHBondContact O-N 3.46Å |
| 86 | T | 64 | Low | 59.9 | Low | 129 Ų | 129 | 126.1 Ų | 126.1 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | | | trans | -72.7 | 83.4 | 178 | 56 | 0 | 0 | 0 | 0 | 107.6 | R84 F88 | R84-T86 PolarHBondContact O-N 2.91Å; T86-F88 PolarHBondContact O-N 2.95Å |
| 87 | S | 60.4 | Low | 60.6 | Low | 103 Ų | 103 | 124.8 Ų | 124.8 | 72% | 0.72 | 68% | 0.68 | S | S | * | * | | | trans | -60.9 | 105.4 | 172.7 | -168 | 0 | 0 | 0 | 0 | 107.3 | T85 S89 | T85-S87 PolarHBondContact O-N 3.46Å; S87-S89 PolarHBondContact O-N 3.25Å |
| 88 | F | 59.6 | Low | 61.4 | Low | 157 Ų | 157 | 123.3 Ų | 123.3 | 69% | 0.689 | 66% | 0.663 | S | S | * | * | | | trans | -86.7 | 94.8 | 176.1 | -140.2 | -88.8 | 0 | 0 | 0 | 105.8 | T86 I93 | T86-F88 PolarHBondContact O-N 2.95Å; F88-I93 HydrophobicContact CD1-CD1 4.35Å; F88-I93 HydrophobicContact CD1-CG1 4.17Å; F88-I93 HydrophobicContact CE1-CD1 4.32Å; F88-I93 HydrophobicContact CE1-CG1 3.83Å |
| 89 | S | 74.1 | Confident | 61.6 | Low | 51 Ų | 51 | 127.2 Ų | 127.2 | 36% | 0.357 | 66% | 0.662 | S | S | . | * | | | trans | -72.5 | 146.1 | 178.5 | -171.4 | 0 | 0 | 0 | 0 | 109.2 | S87 L91 D92 | S87-S89 PolarHBondContact O-N 3.25Å; S89-L91 PolarHBondContact O-N 3.41Å; S89-D92 WeakPolarHBondContact CB-OD2 3.41Å; S89-D92 PolarHBondContact N-OD2 3.14Å; S89-D92 VanDerWaalsContact O-CB 3.23Å; S89-D92 WeakPolarHBondContact O-CB 3.3Å; S89-D92 PolarHBondContact O-N 3.07Å |
| 90 | V | 69.1 | Low | 61.9 | Low | 103 Ų | 103 | 124.2 Ų | 124.2 | 62% | 0.624 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -29.7 | 175.3 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | D92 I93 | V90-D92 PolarHBondContact O-N 3.47Å; V90-I93 WeakPolarHBondContact O-CB 3.27Å; V90-I93 PolarHBondContact O-N 3.38Å |
| 91 | L | 69.9 | Low | 62.2 | Low | 133 Ų | 133 | 122.6 Ų | 122.6 | 70% | 0.696 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.6 | -25.1 | 174.2 | -78.3 | 67.2 | 0 | 0 | 0 | 112.7 | S89 I93 L94 D95 | S89-L91 PolarHBondContact O-N 3.41Å; L91-I93 PolarHBondContact O-N 3.33Å; L91-L94 PolarHBondContact O-N 3.48Å; L91-D95 PolarHBondContact O-N 3Å |
| 92 | D | 71.4 | Confident | 62.1 | Low | 43 Ų | 43 | 124 Ų | 124 | 23% | 0.23 | 65% | 0.647 | C | S | . | * | H | α-helix | trans | -69.6 | -19 | 176.8 | -66.5 | -49.4 | 0 | 0 | 0 | 113.3 | S89 V90 K98 | S89-D92 WeakPolarHBondContact CB-OD2 3.41Å; S89-D92 PolarHBondContact N-OD2 3.14Å; S89-D92 VanDerWaalsContact O-CB 3.23Å; S89-D92 WeakPolarHBondContact O-CB 3.3Å; S89-D92 PolarHBondContact O-N 3.07Å; V90-D92 PolarHBondContact O-N 3.47Å; D92-K98 HydrophobicContact CB-CD 4.13Å; D92-K98 IonicContact OD1-NZ 3.02Å; D92-K98 PolarHBondContact OD1-NZ 3.44Å; D92-K98 IonicContact OD2-NZ 3.99Å |
| 93 | I | 76.8 | Confident | 62.3 | Low | 100 Ų | 100 | 125.6 Ų | 125.6 | 51% | 0.513 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -84.3 | -25.2 | -179.7 | -58.8 | 171.8 | 0 | 0 | 0 | 110.6 | F88 V90 L91 | F88-I93 HydrophobicContact CD1-CD1 4.35Å; F88-I93 HydrophobicContact CD1-CG1 4.17Å; F88-I93 HydrophobicContact CE1-CD1 4.32Å; F88-I93 HydrophobicContact CE1-CG1 3.83Å; V90-I93 WeakPolarHBondContact O-CB 3.27Å; V90-I93 PolarHBondContact O-N 3.38Å; L91-I93 PolarHBondContact O-N 3.33Å |
| 94 | L | 71.6 | Confident | 62 | Low | 137 Ų | 137 | 122.8 Ų | 122.8 | 72% | 0.717 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -99.8 | -3.9 | -173.6 | -66.1 | 169.6 | 0 | 0 | 0 | 113.5 | L91 P96 | L91-L94 PolarHBondContact O-N 3.48Å; L94-P96 VanDerWaalsContact O-CD 3.28Å; L94-P96 WeakPolarHBondContact O-CD 3.38Å |
| 95 | D | 73.6 | Confident | 61.3 | Low | 67 Ų | 67 | 117.9 Ų | 117.9 | 36% | 0.358 | 64% | 0.635 | S | S | . | * | | | trans | -81.4 | 109.3 | 175.6 | -179.8 | -2 | 0 | 0 | 0 | 110.9 | L91 N97 K98 | L91-D95 PolarHBondContact O-N 3Å; D95-N97 PolarHBondContact O-N 3.48Å; D95-N97 WeakPolarHBondContact OD1-CB 3.36Å; D95-N97 PolarHBondContact OD1-N 2.96Å; D95-K98 HydrophobicContact CB-CB 4.15Å; D95-K98 WeakPolarHBondContact O-CB 3.46Å; D95-K98 PolarHBondContact O-N 3.34Å |
| 96 | P | 64.9 | Low | 60.9 | Low | 100 Ų | 100 | 117.7 Ų | 117.7 | 65% | 0.649 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -65 | -22.8 | -177.7 | 28.4 | -35.7 | 0 | 0 | 0 | 113.1 | L94 K98 | L94-P96 VanDerWaalsContact O-CD 3.28Å; L94-P96 WeakPolarHBondContact O-CD 3.38Å; P96-K98 VanDerWaalsContact C-N 3.31Å |
| 97 | N | 60.8 | Low | 59.9 | Low | 102 Ų | 102 | 118.5 Ų | 118.5 | 55% | 0.545 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -82.2 | -11.6 | -178.8 | -66.8 | -40.4 | 0 | 0 | 0 | 113 | D95 T100 S101 | D95-N97 PolarHBondContact O-N 3.48Å; D95-N97 WeakPolarHBondContact OD1-CB 3.36Å; D95-N97 PolarHBondContact OD1-N 2.96Å; N97-T100 PolarHBondContact O-OG1 3.29Å; N97-S101 WeakPolarHBondContact O-CB 3.34Å; N97-S101 PolarHBondContact O-N 3.28Å; N97-S101 PolarHBondContact O-OG 2.94Å |
| 98 | K | 63.6 | Low | 58.8 | Low | 106 Ų | 106 | 125.4 Ų | 125.4 | 46% | 0.461 | 65% | 0.646 | S | S | . | * | G | 310 helix | trans | -76.8 | -21.7 | -176 | -148.6 | 175.2 | -170.2 | -176.6 | 0 | 114.1 | D92 D95 P96 | D92-K98 HydrophobicContact CB-CD 4.13Å; D92-K98 IonicContact OD1-NZ 3.02Å; D92-K98 PolarHBondContact OD1-NZ 3.44Å; D92-K98 IonicContact OD2-NZ 3.99Å; D95-K98 HydrophobicContact CB-CB 4.15Å; D95-K98 WeakPolarHBondContact O-CB 3.46Å; D95-K98 PolarHBondContact O-N 3.34Å; P96-K98 VanDerWaalsContact C-N 3.31Å |
| 99 | F | 55.6 | Low | 57.8 | Low | 178 Ų | 178 | 124.9 Ų | 124.9 | 78% | 0.781 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -19.1 | 175.2 | -77 | -86.6 | 0 | 0 | 0 | 114 | | |
| 100 | T | 55.8 | Low | 55.8 | Low | 105 Ų | 105 | 126 Ų | 126 | 64% | 0.644 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -23.9 | -177.6 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | N97 K102 | N97-T100 PolarHBondContact O-OG1 3.29Å; T100-K102 PolarHBondContact O-N 2.84Å |
| 101 | S | 55.1 | Low | 54.3 | Low | 82 Ų | 82 | 125.9 Ų | 125.9 | 57% | 0.573 | 68% | 0.68 | S | S | * | * | | | trans | -73.9 | 110.3 | -175.9 | -66 | 0 | 0 | 0 | 0 | 113.3 | N97 K103 | N97-S101 WeakPolarHBondContact O-CB 3.34Å; N97-S101 PolarHBondContact O-N 3.28Å; N97-S101 PolarHBondContact O-OG 2.94Å; S101-K103 PolarHBondContact O-N 3.16Å; S101-K103 VanDerWaalsContact O-N 3.17Å |
| 102 | K | 54.3 | Low | 52.5 | Low | 200 Ų | 200 | 128.1 Ų | 128.1 | 87% | 0.87 | 69% | 0.686 | S | S | * | * | | | trans | -58.8 | 115.7 | 164.5 | -70.3 | 175.1 | 179.1 | 173.1 | 0 | 109 | T100 P104 | T100-K102 PolarHBondContact O-N 2.84Å; K102-P104 WeakPolarHBondContact O-CD 3.15Å |
| 103 | K | 51 | Low | 50.8 | Low | 202 Ų | 202 | 135.4 Ų | 135.4 | 88% | 0.878 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -52 | 123.5 | 178.8 | -88.5 | 177.3 | 173 | 170.8 | 0 | 111.3 | S101 | S101-K103 PolarHBondContact O-N 3.16Å; S101-K103 VanDerWaalsContact O-N 3.17Å |
| 104 | P | 44.9 | Very low | 48.7 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 142.8 | 168.1 | 29.4 | -32.5 | 0 | 0 | 0 | 110.1 | K102 | K102-P104 WeakPolarHBondContact O-CD 3.15Š|
| 105 | N | 39 | Very low | 46.7 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 124.2 | 176.5 | -172.1 | 7.8 | 0 | 0 | 0 | 109.4 | N107 | N105-N107 PolarHBondContact O-N 3.24Š|
| 106 | P | 44.2 | Very low | 44.7 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -79 | 65 | -175.9 | 34 | -37.4 | 0 | 0 | 0 | 111.6 | | |
| 107 | N | 42.2 | Very low | 43.4 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | | | trans | -156.1 | 68.1 | 171.5 | -101.7 | -22.1 | 0 | 0 | 0 | 111 | N105 | N105-N107 PolarHBondContact O-N 3.24Š|
| 108 | R | 36.6 | Very low | 42.2 | Very low | 247 Ų | 247 | 142.9 Ų | 142.9 | 93% | 0.932 | 77% | 0.772 | S | S | * | * | | | trans | -154.2 | 95.2 | 155.6 | -127.2 | -179.2 | -176.5 | -145.5 | -0.6 | 110.6 | | |
| 109 | T | 38.8 | Very low | 40.9 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | trans | -75.6 | 131.1 | 162.5 | 46.4 | 0 | 0 | 0 | 0 | 109 | | |
| 110 | G | 33.6 | Very low | 40.1 | Very low | 74 Ų | 74 | 148.6 Ų | 148.6 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | | | trans | 158.2 | 115.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 111 | S | 36.5 | Very low | 38.9 | Very low | 101 Ų | 101 | 147.6 Ų | 147.6 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | | | trans | 56.9 | 124.6 | 142.6 | -102.6 | 0 | 0 | 0 | 0 | 123.3 | | |
| 112 | E | 33.3 | Very low | 38 | Very low | 179 Ų | 179 | 147 Ų | 147 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | | | | 92.7 | 144.4 | 124.7 | -80.9 | 166.9 | 109.3 | 0 | 0 | 123.3 | | |
| 113 | F | 35.4 | Very low | 37.1 | Very low | 196 Ų | 196 | 145.3 Ų | 145.3 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -68.9 | 153.2 | 175.7 | -84.2 | -123.9 | 0 | 0 | 0 | 112.1 | | |
| 114 | A | 32.3 | Very low | 36.3 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | trans | -154.2 | 138.5 | 141.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 115 | F | 29.2 | Very low | 36.1 | Very low | 198 Ų | 198 | 140.4 Ų | 140.4 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | | | trans | -64.9 | 153.4 | 159.4 | -65.7 | -113.7 | 0 | 0 | 0 | 107.7 | | |
| 116 | G | 32.7 | Very low | 35.7 | Very low | 68 Ų | 68 | 139.7 Ų | 139.7 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | cis | 103 | 102.4 | 37.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 117 | T | 37.7 | Very low | 35.5 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -152.9 | 110.7 | 165.2 | 39.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 118 | E | 33.9 | Very low | 35.1 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | | 53.4 | 112.1 | 95.4 | 26.7 | 174.9 | 99.9 | 0 | 0 | 120.4 | | |
| 119 | N | 36.6 | Very low | 35 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | | 54.9 | 117.6 | 127.5 | -64 | -21.4 | 0 | 0 | 0 | 123.7 | | |
| 120 | R | 38.8 | Very low | 34.9 | Very low | 251 Ų | 251 | 137.3 Ų | 137.3 | 95% | 0.947 | 78% | 0.781 | S | S | * | * | | | | -173.9 | 126.9 | 120.8 | -95.3 | 162.6 | -174.1 | -161.6 | 1 | 106 | | |
| 121 | G | 31.9 | Very low | 34.9 | Very low | 84 Ų | 84 | 142.7 Ų | 142.7 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | cis | 96 | 123.3 | 36.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 122 | G | 36.1 | Very low | 35 | Very low | 70 Ų | 70 | 146.4 Ų | 146.4 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | | | cis | -179.8 | -177.4 | -0.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 123 | D | 33.7 | Very low | 35 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | trans | 57.2 | 156.4 | 170.8 | -76.9 | -157.5 | 0 | 0 | 0 | 118.8 | | |
| 124 | D | 36 | Very low | 35.1 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | | | cis | -163.3 | 168.7 | -37.4 | -153.6 | 40.1 | 0 | 0 | 0 | 105.6 | | |
| 125 | S | 38.8 | Very low | 35.5 | Very low | 91 Ų | 91 | 143.6 Ų | 143.6 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | | | cis | -144.5 | 162.7 | 12.4 | -48.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 126 | N | 31.8 | Very low | 35.7 | Very low | 123 Ų | 123 | 141 Ų | 141 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | | | trans | 6.5 | 127.8 | 148.4 | -70.9 | -72.2 | 0 | 0 | 0 | 120.4 | | |
| 127 | H | 39.9 | Very low | 35.9 | Very low | 196 Ų | 196 | 145.2 Ų | 145.2 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | | | | -145.2 | 145.7 | 109.6 | -127.7 | -80.5 | 0 | 0 | 0 | 112.4 | | |
| 128 | D | 33.9 | Very low | 36 | Very low | 127 Ų | 127 | 150.5 Ų | 150.5 | 68% | 0.679 | 79% | 0.785 | S | S | * | * | | | trans | -91.3 | 163 | -161.9 | -131.2 | -44.1 | 0 | 0 | 0 | 114.6 | | |
| 129 | V | 34.9 | Very low | 36.5 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 70% | 0.703 | 77% | 0.774 | S | S | * | * | | | trans | 48.5 | 110.9 | 160.2 | -172.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 130 | E | 35.6 | Very low | 36.7 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | | -159.4 | 138.8 | 91 | -168.3 | 153.8 | 102.3 | 0 | 0 | 113.1 | | |
| 131 | Q | 33.9 | Very low | 36.8 | Very low | 187 Ų | 187 | 141.2 Ų | 141.2 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | trans | -111.4 | 105.8 | -174.1 | 179.6 | -178 | 68.2 | 0 | 0 | 109 | | |
| 132 | K | 38 | Very low | 37.2 | Very low | 179 Ų | 179 | 144.8 Ų | 144.8 | 78% | 0.778 | 77% | 0.768 | S | S | * | * | | | trans | -137.9 | 92.7 | 175.2 | -139.6 | 80.6 | 174.4 | -163.9 | 0 | 114.2 | | |
| 133 | S | 33.3 | Very low | 37.4 | Very low | 101 Ų | 101 | 151.2 Ų | 151.2 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | 0 | 114.1 | 147.1 | -175.1 | 0 | 0 | 0 | 0 | 117.2 | A135 | S133-A135 PolarHBondContact O-N 3.38Š|
| 134 | Y | 38 | Very low | 37.6 | Very low | 248 Ų | 248 | 149.3 Ų | 149.3 | 97% | 0.973 | 78% | 0.776 | S | S | * | * | | | trans | -83 | 94.6 | 162.1 | -126.1 | -100 | 0 | 0 | 0 | 108.9 | | |
| 135 | A | 40 | Very low | 37.8 | Very low | 64 Ų | 64 | 149.7 Ų | 149.7 | 53% | 0.529 | 78% | 0.783 | S | S | . | * | | | trans | -154.6 | 134.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S133 | S133-A135 PolarHBondContact O-N 3.38Š|
| 136 | D | 34.8 | Very low | 37.5 | Very low | 144 Ų | 144 | 148.7 Ų | 148.7 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | 56.4 | 106.5 | 160.1 | -55.8 | -52.3 | 0 | 0 | 0 | 119.8 | | |
| 137 | D | 35.9 | Very low | 37.8 | Very low | 156 Ų | 156 | 150 Ų | 150 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | | | trans | -153.5 | 78.6 | 131.5 | -109.3 | -36.8 | 0 | 0 | 0 | 109.8 | D139 | D137-D139 VanDerWaalsContact C-N 3.3Š|
| 138 | Y | 41.2 | Very low | 38 | Very low | 239 Ų | 239 | 148.8 Ų | 148.8 | 94% | 0.937 | 79% | 0.785 | S | S | * | * | | | trans | -96.1 | 36.5 | 174.8 | -147.8 | -86 | 0 | 0 | 0 | 110.8 | | |
| 139 | D | 44.3 | Very low | 38.4 | Very low | 108 Ų | 108 | 150.5 Ų | 150.5 | 58% | 0.578 | 79% | 0.789 | S | S | * | * | | | trans | -141.2 | 77.7 | -173.3 | -148.2 | -52.4 | 0 | 0 | 0 | 113.8 | D137 | D137-D139 VanDerWaalsContact C-N 3.3Š|
| 140 | T | 39.8 | Very low | 38.9 | Very low | 139 Ų | 139 | 148.7 Ų | 148.7 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -137.8 | 24.4 | 169.1 | -45.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 141 | C | 41.2 | Very low | 38.9 | Very low | 133 Ų | 133 | 149.4 Ų | 149.4 | 90% | 0.899 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -122.6 | 17.5 | 177.8 | -150.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 142 | Q | 41.3 | Very low | 39 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -128.8 | 5.7 | -179.5 | -126.1 | -170.9 | 50.6 | 0 | 0 | 116.5 | | |
| 143 | K | 39.8 | Very low | 38.9 | Very low | 204 Ų | 204 | 145.2 Ų | 145.2 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | | | trans | -126 | 61.4 | -174.7 | -151.5 | 168 | -171.9 | 173.5 | 0 | 115.8 | | |
| 144 | S | 37 | Very low | 39.1 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -145 | 30.8 | 158.4 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 145 | T | 39.8 | Very low | 39.2 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -85.3 | 115.8 | 167.7 | 51.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 146 | G | 32.8 | Very low | 38.8 | Very low | 70 Ų | 70 | 150.2 Ų | 150.2 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | trans | 104.7 | 104 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 147 | L | 38.6 | Very low | 39.1 | Very low | 152 Ų | 152 | 147.4 Ų | 147.4 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | | | | -154.4 | 133.8 | 61.9 | -82.4 | 158.1 | 0 | 0 | 0 | 111.8 | | |
| 148 | K | 43.3 | Very low | 39.5 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 74% | 0.735 | 78% | 0.777 | S | S | * | * | | | trans | 55.6 | 139.4 | 143.3 | -60.5 | 175.5 | 174.7 | -167.4 | 0 | 118.5 | | |
| 149 | E | 43.2 | Very low | 39.9 | Very low | 164 Ų | 164 | 144 Ų | 144 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | cis | -159.6 | 150.8 | 7.7 | -121.3 | 153.1 | -147 | 0 | 0 | 108.6 | | |
| 150 | G | 45.8 | Very low | 39.3 | Very low | 77 Ų | 77 | 145.1 Ų | 145.1 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | 55.6 | 85.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 151 | F | 34.9 | Very low | 39.5 | Very low | 185 Ų | 185 | 146.1 Ų | 146.1 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | trans | -145.9 | 87.1 | 139.7 | -154.7 | -108 | 0 | 0 | 0 | 112.3 | C153 | F151-C153 HydrophobicContact CD1-CB 3.96Å; F151-C153 HydrophobicContact CE1-CB 3.87Å; F151-C153 PolarHBondContact O-N 3.15Å; F151-C153 VanDerWaalsContact O-N 3.1Å |
| 152 | M | 36.1 | Very low | 39.3 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 83% | 0.833 | 77% | 0.772 | S | S | * | * | | | trans | -74.3 | 92.2 | 166.7 | -177.4 | -179.1 | 81.9 | 0 | 0 | 108.1 | A154 | M152-A154 HydrophobicContact CE-CB 4.18Å; M152-A154 PolarHBondContact O-N 3.1Å |
| 153 | C | 36.2 | Very low | 38.9 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | trans | -73.9 | 82 | 174.1 | -154.7 | 0 | 0 | 0 | 0 | 109.2 | F151 | F151-C153 HydrophobicContact CD1-CB 3.96Å; F151-C153 HydrophobicContact CE1-CB 3.87Å; F151-C153 PolarHBondContact O-N 3.15Å; F151-C153 VanDerWaalsContact O-N 3.1Å |
| 154 | A | 37.5 | Very low | 38.6 | Very low | 67 Ų | 67 | 144.1 Ų | 144.1 | 55% | 0.554 | 77% | 0.771 | S | S | * | * | | | trans | -68.5 | 140.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M152 R156 | M152-A154 HydrophobicContact CE-CB 4.18Å; M152-A154 PolarHBondContact O-N 3.1Å; A154-R156 PolarHBondContact O-N 3.41Å |
| 155 | Y | 39.8 | Very low | 38.9 | Very low | 224 Ų | 224 | 147.6 Ų | 147.6 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | | | trans | -48.3 | 129.7 | 156 | -122.5 | -107.7 | 0 | 0 | 0 | 110.3 | | |
| 156 | R | 31.9 | Very low | 38.5 | Very low | 226 Ų | 226 | 153.1 Ų | 153.1 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | trans | -154.1 | 133.6 | 145.6 | -148.6 | -178.2 | -81 | -147.2 | -2.5 | 110.6 | A154 | A154-R156 PolarHBondContact O-N 3.41Š|
| 157 | S | 41.6 | Very low | 38.4 | Very low | 85 Ų | 85 | 152.8 Ų | 152.8 | 59% | 0.594 | 77% | 0.772 | S | S | * | * | | | trans | -94.4 | -148.2 | 164.6 | -71.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 158 | E | 43.6 | Very low | 38.1 | Very low | 138 Ų | 138 | 151.7 Ų | 151.7 | 65% | 0.645 | 78% | 0.777 | S | S | * | * | | | trans | 64.7 | 100.9 | 173.4 | 31.5 | -74.8 | 124.9 | 0 | 0 | 118.9 | | |
| 159 | E | 49.3 | Very low | 37.7 | Very low | 185 Ų | 185 | 150.5 Ų | 150.5 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | | 67.4 | 116.1 | 126.6 | -62.4 | 174.4 | 118.1 | 0 | 0 | 121.6 | | |
| 160 | C | 32.1 | Very low | 37.6 | Very low | 132 Ų | 132 | 148.1 Ų | 148.1 | 89% | 0.892 | 78% | 0.776 | S | S | * | * | | | | -146.6 | 133.7 | 126.1 | 59.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 161 | E | 42.9 | Very low | 36.9 | Very low | 161 Ų | 161 | 150.2 Ų | 150.2 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | trans | -89 | 162.9 | 174.8 | -99.4 | -176.1 | 93.4 | 0 | 0 | 112.1 | | |
| 162 | N | 37 | Very low | 37.1 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | | | trans | 37.2 | 124.6 | 147.5 | -52.3 | -35.6 | 0 | 0 | 0 | 120.7 | | |
| 163 | D | 34.3 | Very low | 37.2 | Very low | 154 Ų | 154 | 146.3 Ų | 146.3 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | | -155.4 | 176.4 | 125.8 | -134.6 | -66.1 | 0 | 0 | 0 | 113.6 | | |
| 164 | F | 32.1 | Very low | 37.3 | Very low | 177 Ų | 177 | 148.6 Ų | 148.6 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | -97.6 | 162.5 | -140.8 | -92.1 | -114.4 | 0 | 0 | 0 | 119.1 | | |
| 165 | K | 44.8 | Very low | 37.4 | Very low | 197 Ų | 197 | 151.5 Ų | 151.5 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | | | trans | -40.6 | 130.7 | 158.6 | -76.5 | 170.4 | 164.4 | 175 | 0 | 115.8 | | |
| 166 | R | 31.2 | Very low | 37.4 | Very low | 250 Ų | 250 | 146.8 Ų | 146.8 | 94% | 0.943 | 75% | 0.754 | S | S | * | * | | | trans | -174.5 | 145.9 | 133.9 | -148.3 | 166.6 | -75.2 | -151.4 | -1.3 | 107.9 | | |
| 167 | G | 29.6 | Very low | 37.8 | Very low | 63 Ų | 63 | 143.9 Ų | 143.9 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | | | cis | 150.7 | 143.9 | -1.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 168 | S | 33.4 | Very low | 37.7 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | | | trans | 67.4 | 162.5 | 178.3 | -73.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 169 | H | 34.8 | Very low | 37.1 | Very low | 144 Ų | 144 | 145 Ų | 145 | 67% | 0.667 | 77% | 0.772 | S | S | * | * | | | cis | 178.1 | 134.6 | -28.4 | 178 | -80.1 | 0 | 0 | 0 | 107.4 | | |
| 170 | S | 40.9 | Very low | 36.5 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | trans | 159.2 | 105.9 | 160.7 | -86.7 | 0 | 0 | 0 | 0 | 106.1 | | |
| 171 | D | 29.7 | Very low | 36.9 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 65% | 0.647 | 76% | 0.763 | S | S | * | * | | | cis | 82.6 | 145.3 | 38.7 | -156.9 | -87.2 | 0 | 0 | 0 | 114.6 | | |
| 172 | S | 39.6 | Very low | 36.5 | Very low | 87 Ų | 87 | 144.3 Ų | 144.3 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | | | trans | 72.7 | 98.5 | -178.3 | -52.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 173 | E | 38.5 | Very low | 36.6 | Very low | 186 Ų | 186 | 143.7 Ų | 143.7 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | | | | 78 | 142.4 | 76.6 | -69.5 | 179.1 | 141.3 | 0 | 0 | 112.4 | | |
| 174 | M | 38.7 | Very low | 36.7 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | cis | -156 | -174.4 | 21.9 | 75.3 | -144.6 | -154.5 | 0 | 0 | 113.8 | | |
| 175 | Q | 39.5 | Very low | 37 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 60% | 0.598 | 78% | 0.779 | S | S | * | * | | | trans | 92.7 | 73.8 | 160.5 | -124 | 78.7 | 84.9 | 0 | 0 | 120.5 | | |
| 176 | D | 39.8 | Very low | 36.7 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | | | | -0.8 | 132 | 121.3 | 28.7 | -71.4 | 0 | 0 | 0 | 119.6 | | |
| 177 | D | 40.3 | Very low | 37.3 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | | | trans | -150.6 | 158.8 | 149 | -121.9 | -39.6 | 0 | 0 | 0 | 110.5 | | |
| 178 | V | 38.8 | Very low | 37.7 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | | | trans | -120.9 | 144 | -155.4 | -73.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 179 | C | 32 | Very low | 37.7 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | 160.7 | 128.3 | 146.4 | -85 | 0 | 0 | 0 | 0 | 108.5 | | |
| 180 | S | 37.4 | Very low | 38.1 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | cis | 87.7 | 81 | 43.2 | -64.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 181 | E | 40.4 | Very low | 38.1 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -177.9 | 119.8 | 142.7 | 50.2 | -167.6 | 121.6 | 0 | 0 | 107 | | |
| 182 | E | 33.9 | Very low | 38.3 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | cis | 83.5 | 93.8 | 30.3 | 109.7 | 175 | 65.3 | 0 | 0 | 115.4 | | |
| 183 | S | 38.2 | Very low | 38.2 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | 155.6 | 107 | 146.5 | -74.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 184 | S | 37.3 | Very low | 38.1 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | | 72.1 | 102.2 | 63 | -60.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 185 | S | 38.8 | Very low | 38.3 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | | | trans | -110.3 | 102.2 | 176 | 37.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 186 | A | 38.5 | Very low | 38.2 | Very low | 87 Ų | 87 | 131.8 Ų | 131.8 | 72% | 0.719 | 82% | 0.815 | S | S | * | * | | | trans | -170.2 | 151.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 187 | L | 44 | Very low | 38.5 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | | | cis | -150.3 | 177.6 | -5.5 | -77.1 | -176.7 | 0 | 0 | 0 | 109 | | |
| 188 | T | 36.7 | Very low | 39.2 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | | | trans | 87.5 | 141.4 | 152.4 | 75.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 189 | G | 34.2 | Very low | 39.3 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | 151 | 76.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 190 | N | 42.5 | Very low | 39.7 | Very low | 168 Ų | 168 | 134 Ų | 134 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | | | trans | -92.5 | 167.5 | -179 | -99.7 | -19.2 | 0 | 0 | 0 | 112.7 | | |
| 191 | A | 40.5 | Very low | 39.8 | Very low | 82 Ų | 82 | 136 Ų | 136 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | | | trans | 79.8 | 148.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 192 | E | 34.8 | Very low | 39.6 | Very low | 186 Ų | 186 | 132.9 Ų | 132.9 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | cis | -164.2 | 152.2 | 8.8 | 34.9 | -148 | 78.6 | 0 | 0 | 112.8 | | |
| 193 | G | 37.6 | Very low | 40.1 | Very low | 80 Ų | 80 | 132.9 Ų | 132.9 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | 74.6 | 156.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 194 | E | 36.4 | Very low | 40 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | cis | -155.6 | 142 | -25 | -172.3 | 177.3 | 100 | 0 | 0 | 109.3 | | |
| 195 | L | 42.3 | Very low | 40 | Very low | 161 Ų | 161 | 129.5 Ų | 129.5 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | 4.4 | 132.3 | 160.4 | -51.1 | 167.5 | 0 | 0 | 0 | 120.6 | | |
| 196 | G | 38.4 | Very low | 39.9 | Very low | 87 Ų | 87 | 132.5 Ų | 132.5 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | | | trans | -150.9 | 73.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 197 | H | 46.2 | Very low | 39.8 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 67% | 0.667 | 78% | 0.779 | S | S | * | * | | | trans | -90.4 | 134.7 | -178.2 | 167.3 | 72.3 | 0 | 0 | 0 | 111.6 | D199 | H197-D199 IonicContact CE1-OD2 3.04Å; H197-D199 PolarHBondContact CE1-OD2 2.97Å; H197-D199 IonicContact ND1-OD2 3.09Å; H197-D199 PolarHBondContact ND1-OD2 3.47Å; H197-D199 VanDerWaalsContact ND1-OD2 3.09Å |
| 198 | H | 53.7 | Low | 39.9 | Very low | 187 Ų | 187 | 132.8 Ų | 132.8 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | | | trans | -157.4 | 112.4 | 151 | -109.7 | 78.7 | 0 | 0 | 0 | 108.3 | | |
| 199 | D | 42.2 | Very low | 39.8 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 56% | 0.561 | 78% | 0.78 | S | S | * | * | | | trans | -94.6 | 178.2 | 164.5 | -78.3 | -85.6 | 0 | 0 | 0 | 109.7 | H197 | H197-D199 IonicContact CE1-OD2 3.04Å; H197-D199 PolarHBondContact CE1-OD2 2.97Å; H197-D199 IonicContact ND1-OD2 3.09Å; H197-D199 PolarHBondContact ND1-OD2 3.47Å; H197-D199 VanDerWaalsContact ND1-OD2 3.09Å |
| 200 | D | 39.6 | Very low | 40 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | | | trans | 71.6 | 140.9 | 167 | -47.3 | -46.6 | 0 | 0 | 0 | 116.7 | | |
| 201 | D | 39.1 | Very low | 40.3 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | cis | -155.8 | 169.6 | 3.7 | -141.5 | -31.2 | 0 | 0 | 0 | 113.2 | | |
| 202 | D | 37.6 | Very low | 39.8 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 65% | 0.647 | 79% | 0.785 | S | S | * | * | | | trans | 3.5 | 126.7 | 162.4 | -151.7 | -129.1 | 0 | 0 | 0 | 122.1 | | |
| 203 | Q | 43 | Very low | 39.8 | Very low | 176 Ų | 176 | 132 Ų | 132 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | | -176.1 | 126.4 | 102.6 | -104.9 | -165.2 | 58.1 | 0 | 0 | 117.6 | | |
| 204 | A | 37.1 | Very low | 39.9 | Very low | 67 Ų | 67 | 137.9 Ų | 137.9 | 55% | 0.554 | 79% | 0.785 | S | S | * | * | | | trans | 9.1 | 112.7 | 137 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 205 | S | 36.9 | Very low | 39.9 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | | | | 98.3 | 143.7 | 112.9 | 84.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 206 | K | 37.3 | Very low | 39.7 | Very low | 192 Ų | 192 | 136.3 Ų | 136.3 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | trans | 84.9 | 102.1 | 150.2 | -68.9 | 158.1 | -173.5 | 164.6 | 0 | 121.2 | | |
| 207 | S | 36 | Very low | 39.9 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | | | | -140.7 | 164.6 | 125.5 | -87.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 208 | P | 46 | Very low | 39.7 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | | | cis | -121.9 | 170.2 | 3 | 40.2 | -27.1 | 0 | 0 | 0 | 113.9 | | |
| 209 | R | 34.8 | Very low | 39 | Very low | 245 Ų | 245 | 139.3 Ų | 139.3 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | | | trans | -152.7 | 124.7 | 161.3 | -146.7 | 174.6 | -169.5 | -116.7 | 3.4 | 114.5 | | |
| 210 | S | 38.3 | Very low | 38.6 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -137.5 | 166.7 | 156.4 | -76.5 | 0 | 0 | 0 | 0 | 106 | | |
| 211 | P | 47.9 | Very low | 38.4 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | | | cis | -126.7 | -174.7 | 2.3 | 41.4 | -25.9 | 0 | 0 | 0 | 113.3 | | |
| 212 | G | 31.1 | Very low | 38.2 | Very low | 81 Ų | 81 | 136.6 Ų | 136.6 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | 148.7 | 118.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 213 | G | 34.8 | Very low | 38.1 | Very low | 71 Ų | 71 | 134.4 Ų | 134.4 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | | | trans | -107.3 | -175.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 214 | Q | 39.2 | Very low | 38.1 | Very low | 204 Ų | 204 | 135.3 Ų | 135.3 | 95% | 0.953 | 81% | 0.81 | S | S | * | * | | | trans | -161.4 | 164.1 | 152.7 | -115.3 | 167.3 | 101.9 | 0 | 0 | 112 | | |
| 215 | Q | 37 | Very low | 38.3 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | | | trans | -85.8 | 151.3 | -172.9 | -59.9 | 165.6 | -5.4 | 0 | 0 | 111.8 | | |
| 216 | T | 37.9 | Very low | 38.7 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | | | trans | -141.4 | 125.7 | 144.1 | -39.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 217 | Q | 42.6 | Very low | 39.3 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 73% | 0.729 | 83% | 0.833 | S | S | * | * | | | trans | -94.8 | 141.1 | 169.7 | -56.4 | 171 | 26.6 | 0 | 0 | 108.8 | | |
| 218 | Q | 42.4 | Very low | 39.6 | Very low | 199 Ų | 199 | 138.2 Ų | 138.2 | 93% | 0.93 | 83% | 0.828 | S | S | * | * | | | trans | -166.6 | 148 | 131.7 | -110.5 | 160.3 | 84.5 | 0 | 0 | 113.5 | | |
| 219 | S | 37.3 | Very low | 40 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | | | trans | -97.6 | 155.9 | -173.4 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 220 | G | 33.9 | Very low | 40.7 | Very low | 72 Ų | 72 | 135.5 Ų | 135.5 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | | | trans | -178.2 | 60.4 | 179 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 221 | S | 36.1 | Very low | 41.4 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | | | trans | 11.4 | 143.6 | 157 | 59.5 | 0 | 0 | 0 | 0 | 123.9 | | |
| 222 | N | 36 | Very low | 41.6 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | | | trans | 80.8 | 91.2 | 146.3 | -69.8 | -4.7 | 0 | 0 | 0 | 120.9 | | |
| 223 | G | 33.9 | Very low | 42.5 | Very low | 75 Ų | 75 | 150.1 Ų | 150.1 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | | | | 100.7 | 109.6 | 88.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 224 | Q | 44.1 | Very low | 43.4 | Very low | 195 Ų | 195 | 158.5 Ų | 158.5 | 91% | 0.911 | 84% | 0.838 | S | S | * | * | | | trans | -155.6 | 149.7 | 130.7 | -122 | 170.8 | 26.5 | 0 | 0 | 113.6 | | |
| 225 | S | 41.3 | Very low | 43.9 | Very low | 105 Ų | 105 | 153.4 Ų | 153.4 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | | | trans | -67.4 | 135.3 | 178 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 226 | N | 44.5 | Very low | 44.7 | Very low | 168 Ų | 168 | 148.8 Ų | 148.8 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | | | trans | -146 | 129.7 | 151.5 | -117.3 | -34.1 | 0 | 0 | 0 | 111.3 | G228 | N226-G228 PolarHBondContact O-N 3.46Š|
| 227 | Q | 50 | Low | 45.4 | Very low | 190 Ų | 190 | 147.3 Ų | 147.3 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | | | trans | -77.7 | 84.6 | -171.2 | -65.7 | -169.4 | 23.3 | 0 | 0 | 112.1 | K229 | Q227-K229 PolarHBondContact O-N 3Å; Q227-K229 VanDerWaalsContact O-N 3.08Å |
| 228 | G | 43.3 | Very low | 46 | Very low | 72 Ų | 72 | 146.7 Ų | 146.7 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | | | trans | -69 | 98 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N226 | N226-G228 PolarHBondContact O-N 3.46Š|
| 229 | K | 52.8 | Low | 46.7 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | | | trans | -48.2 | 125.8 | 173.7 | -66.4 | 173.7 | -179.7 | 173.6 | 0 | 110 | Q227 K231 | Q227-K229 PolarHBondContact O-N 3Å; Q227-K229 VanDerWaalsContact O-N 3.08Å; K229-K231 PolarHBondContact O-N 3.38Å |
| 230 | P | 50.6 | Low | 47.7 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | | | trans | -64.7 | 110.5 | 179.6 | 25.1 | -32.7 | 0 | 0 | 0 | 109.3 | R232 | P230-R232 VanDerWaalsContact C-N 3.34Å; P230-R232 PolarHBondContact O-N 3.47Å |
| 231 | K | 51.9 | Low | 48.8 | Very low | 204 Ų | 204 | 147.8 Ų | 147.8 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | | | trans | -60.3 | 95.5 | 175.4 | -173.2 | 171.2 | -175.7 | 172.7 | 0 | 107.7 | K229 K233 | K229-K231 PolarHBondContact O-N 3.38Å; K231-K233 PolarHBondContact O-N 2.98Å |
| 232 | R | 52.8 | Low | 49.9 | Very low | 231 Ų | 231 | 145.4 Ų | 145.4 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | | | trans | -53.8 | 99 | -178.1 | -68.2 | -178.4 | 80.6 | 176.5 | 5.6 | 108.5 | P230 R234 | P230-R232 VanDerWaalsContact C-N 3.34Å; P230-R232 PolarHBondContact O-N 3.47Å; R232-R234 PolarHBondContact O-N 2.85Å |
| 233 | K | 50.1 | Low | 51.7 | Low | 199 Ų | 199 | 146.6 Ų | 146.6 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | | | trans | -57.6 | 109.6 | 172.6 | -159.5 | 178 | -171.5 | -178.7 | 0 | 104.7 | K231 S235 | K231-K233 PolarHBondContact O-N 2.98Å; K233-S235 PolarHBondContact O-N 3.34Å |
| 234 | R | 53.2 | Low | 53.7 | Low | 248 Ų | 248 | 149.2 Ų | 149.2 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | | | trans | -70.3 | 65.8 | 172.9 | -72.3 | -177.4 | 177.2 | 166 | -1.9 | 108.2 | R232 G236 | R232-R234 PolarHBondContact O-N 2.85Å; R234-G236 PolarHBondContact O-N 3.1Å |
| 235 | S | 50.1 | Low | 55.6 | Low | 97 Ų | 97 | 151.5 Ų | 151.5 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | | | trans | -61.9 | 114.9 | 159.9 | -169.7 | 0 | 0 | 0 | 0 | 105.3 | K233 S237 | K233-S235 PolarHBondContact O-N 3.34Å; S235-S237 PolarHBondContact O-N 2.68Å |
| 236 | G | 54.6 | Low | 57.6 | Low | 67 Ų | 67 | 158 Ų | 158 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | | | trans | -69.6 | 74.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | R234 D238 | R234-G236 PolarHBondContact O-N 3.1Å; G236-D238 PolarHBondContact O-N 2.75Å |
| 237 | S | 52.6 | Low | 59.5 | Low | 112 Ų | 112 | 154.6 Ų | 154.6 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | | | trans | -76.7 | 48.6 | 174.8 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | S235 S239 | S235-S237 PolarHBondContact O-N 2.68Å; S237-S239 PolarHBondContact O-N 3.13Å |
| 238 | D | 55.7 | Low | 61.5 | Low | 143 Ų | 143 | 157.2 Ų | 157.2 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | | | trans | -98.8 | 65.4 | 167.5 | -163.4 | -107 | 0 | 0 | 0 | 108.5 | G236 | G236-D238 PolarHBondContact O-N 2.75Š|
| 239 | S | 55.9 | Low | 63.6 | Low | 98 Ų | 98 | 159.3 Ų | 159.3 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | | | trans | -146.6 | 48.5 | -172.4 | -64.4 | 0 | 0 | 0 | 0 | 111.6 | S237 | S237-S239 PolarHBondContact O-N 3.13Š|
| 240 | K | 57.8 | Low | 65.7 | Low | 216 Ų | 216 | 154.6 Ų | 154.6 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -123 | 5.7 | 167.1 | -89.7 | -170.9 | 171 | -175.9 | 0 | 115.3 | | |
| 241 | S | 58.7 | Low | 67.9 | Low | 107 Ų | 107 | 151.7 Ų | 151.7 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -151.6 | 2.7 | 169.8 | 58.2 | 0 | 0 | 0 | 0 | 115 | | |
| 242 | G | 58 | Low | 70.2 | Confident | 57 Ų | 57 | 145.5 Ų | 145.5 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 119.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 243 | K | 73.6 | Confident | 72.3 | Confident | 184 Ų | 184 | 143.4 Ų | 143.4 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 137.4 | 168.2 | -74.4 | 76.5 | 170.6 | -179.4 | 0 | 108.6 | R245 | K243-R245 PolarHBondContact O-N 3.07Å; K243-R245 VanDerWaalsContact O-N 3.09Å |
| 244 | P | 77.3 | Confident | 74.6 | Confident | 130 Ų | 130 | 141.2 Ų | 141.2 | 84% | 0.844 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 119.3 | 178.4 | -25.9 | 34.1 | 0 | 0 | 0 | 110.9 | R246 | P244-R246 PolarHBondContact O-N 3.2Š|
| 245 | R | 82.3 | Confident | 76.8 | Confident | 242 Ų | 242 | 130.6 Ų | 130.6 | 91% | 0.913 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 128.8 | 170.1 | -69.9 | -177.8 | 179.1 | -113.2 | 1.5 | 107.4 | K243 A247 | K243-R245 PolarHBondContact O-N 3.07Å; K243-R245 VanDerWaalsContact O-N 3.09Å; R245-A247 PolarHBondContact O-N 3.05Å |
| 246 | R | 83.5 | Confident | 79.1 | Confident | 243 Ų | 243 | 129.2 Ų | 129.2 | 92% | 0.917 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 128.2 | 175.4 | -77.1 | -177 | 176.2 | 174.5 | -1.2 | 109.3 | P244 | P244-R246 PolarHBondContact O-N 3.2Š|
| 247 | A | 85 | Confident | 81.2 | Confident | 96 Ų | 96 | 128.5 Ų | 128.5 | 79% | 0.793 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 140.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | R245 T249 | R245-A247 PolarHBondContact O-N 3.05Å; A247-T249 PolarHBondContact O-N 3.45Å |
| 248 | R | 90.9 | Very high | 83.4 | Confident | 245 Ų | 245 | 124.6 Ų | 124.6 | 93% | 0.925 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 122.2 | 176.6 | -56.7 | 180 | 89 | 170 | 6.7 | 107.6 | | |
| 249 | T | 89.3 | Confident | 85.4 | Confident | 116 Ų | 116 | 117.8 Ų | 117.8 | 71% | 0.712 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 137.9 | 169.7 | 46.4 | 0 | 0 | 0 | 0 | 109.6 | A247 | A247-T249 PolarHBondContact O-N 3.45Š|
| 250 | A | 95.3 | Very high | 87.4 | Confident | 93 Ų | 93 | 115.1 Ų | 115.1 | 77% | 0.769 | 59% | 0.587 | S | S | * | * | | | trans | -105.1 | 147.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 251 | F | 98.1 | Very high | 89.4 | Confident | 58 Ų | 58 | 108.4 Ų | 108.4 | 25% | 0.254 | 56% | 0.561 | S | S | . | * | | | trans | -83.9 | 147.7 | 172.3 | -57.4 | -55.3 | 0 | 0 | 0 | 110.1 | Q255 L256 L283 Q287 W291 | F251-Q255 HydrophobicContact CB-CB 4.28Å; F251-L256 HydrophobicContact CB-CD2 3.99Å; F251-L256 HydrophobicContact CB-CG 4.05Å; F251-L256 HydrophobicContact CD2-CD2 4.18Å; F251-L283 HydrophobicContact CD1-CD1 3.93Å; F251-L283 HydrophobicContact CD1-CD2 3.72Å; F251-L283 HydrophobicContact CE1-CD1 3.88Å; F251-L283 HydrophobicContact CE1-CD2 3.73Å; F251-L283 HydrophobicContact CE1-CG 4.45Å; F251-Q287 HydrophobicContact CE1-CB 4Å; F251-Q287 HydrophobicContact CE1-CG 4.14Å; F251-Q287 HydrophobicContact CZ-CB 3.95Å; F251-Q287 HydrophobicContact CZ-CG 4.21Å; F251-W291 AromaticContact CD2-CD1 3.81Å; F251-W291 HydrophobicContact CE2-CB 4.45Å; F251-W291 AromaticContact CE2-CD1 3.71Å; F251-W291 HydrophobicContact CE2-CG 4.48Å |
| 252 | T | 98.4 | Very high | 91.3 | Very high | 73 Ų | 73 | 108.8 Ų | 108.8 | 45% | 0.448 | 55% | 0.55 | S | S | . | . | | | trans | -69.3 | 162.5 | 173.9 | 72.8 | 0 | 0 | 0 | 0 | 110.8 | E254 Q255 L256 | T252-E254 VanDerWaalsContact C-N 3.32Å; T252-E254 PolarHBondContact O-N 2.96Å; T252-Q255 PolarHBondContact O-N 3.23Å; T252-Q255 VanDerWaalsContact OG1-CG 3.3Å; T252-Q255 WeakPolarHBondContact OG1-CG 3.34Å; T252-Q255 PolarHBondContact OG1-N 3.41Å; T252-L256 WeakPolarHBondContact O-CG 3.47Å; T252-L256 PolarHBondContact O-N 2.98Å; T252-L256 VanDerWaalsContact O-N 3.07Å |
| 253 | Y | 98.1 | Very high | 93.2 | Very high | 187 Ų | 187 | 106.2 Ų | 106.2 | 73% | 0.733 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.5 | -43.8 | 176.6 | 179 | -103.4 | 0 | 0 | 0 | 111.9 | Q255 L256 V257 | Y253-Q255 PolarHBondContact O-N 3.41Å; Y253-L256 WeakPolarHBondContact O-CB 3.42Å; Y253-L256 PolarHBondContact O-N 3.15Å; Y253-L256 VanDerWaalsContact O-N 3.14Å; Y253-V257 HydrophobicContact CD1-CG2 4.08Å; Y253-V257 HydrophobicContact CD2-CG2 4.48Å; Y253-V257 HydrophobicContact CE1-CG2 3.61Å; Y253-V257 HydrophobicContact CE2-CG2 4.05Å; Y253-V257 HydrophobicContact CG-CG2 4.49Å; Y253-V257 WeakPolarHBondContact O-CG2 3.33Å; Y253-V257 PolarHBondContact O-N 3.19Å |
| 254 | E | 98.4 | Very high | 94.3 | Very high | 154 Ų | 154 | 104 Ų | 104 | 72% | 0.72 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.6 | -44.6 | 178.1 | -63.4 | 174.5 | 175 | 0 | 0 | 112.3 | T252 L256 V257 A258 | T252-E254 VanDerWaalsContact C-N 3.32Å; T252-E254 PolarHBondContact O-N 2.96Å; E254-L256 VanDerWaalsContact C-N 3.32Å; E254-L256 PolarHBondContact O-N 2.74Å; E254-V257 PolarHBondContact O-N 2.89Å; E254-A258 PolarHBondContact O-N 2.97Å |
| 255 | Q | 98.6 | Very high | 95.3 | Very high | 24 Ų | 24 | 102.9 Ų | 102.9 | 11% | 0.112 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -57.6 | -45.1 | 173.5 | -74 | 171.5 | -19.3 | 0 | 0 | 111.2 | F251 T252 Y253 A258 L259 L281 | F251-Q255 HydrophobicContact CB-CB 4.28Å; T252-Q255 PolarHBondContact O-N 3.23Å; T252-Q255 VanDerWaalsContact OG1-CG 3.3Å; T252-Q255 WeakPolarHBondContact OG1-CG 3.34Å; T252-Q255 PolarHBondContact OG1-N 3.41Å; Y253-Q255 PolarHBondContact O-N 3.41Å; Q255-A258 PolarHBondContact O-N 3.31Å; Q255-L259 WeakPolarHBondContact O-CB 3.34Å; Q255-L259 WeakPolarHBondContact O-CD1 3.36Å; Q255-L259 WeakPolarHBondContact O-CG 3.39Å; Q255-L259 PolarHBondContact O-N 3.31Å; Q255-L281 HydrophobicContact CG-CB 4.36Å; Q255-L281 PolarHBondContact NE2-O 3.11Å |
| 256 | L | 98.5 | Very high | 96 | Very high | 69 Ų | 69 | 93.3 Ų | 93.3 | 36% | 0.361 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 178.2 | -68.1 | 173.2 | 0 | 0 | 0 | 112.6 | F251 T252 Y253 E254 E260 W291 | F251-L256 HydrophobicContact CB-CD2 3.99Å; F251-L256 HydrophobicContact CB-CG 4.05Å; F251-L256 HydrophobicContact CD2-CD2 4.18Å; T252-L256 WeakPolarHBondContact O-CG 3.47Å; T252-L256 PolarHBondContact O-N 2.98Å; T252-L256 VanDerWaalsContact O-N 3.07Å; Y253-L256 WeakPolarHBondContact O-CB 3.42Å; Y253-L256 PolarHBondContact O-N 3.15Å; Y253-L256 VanDerWaalsContact O-N 3.14Å; E254-L256 VanDerWaalsContact C-N 3.32Å; E254-L256 PolarHBondContact O-N 2.74Å; L256-E260 VanDerWaalsContact O-CB 3.27Å; L256-E260 WeakPolarHBondContact O-CB 3.44Å; L256-E260 PolarHBondContact O-N 3.27Å; L256-W291 VanDerWaalsContact CD2-NE1 3.32Å |
| 257 | V | 98.6 | Very high | 96.7 | Very high | 52 Ų | 52 | 86 Ų | 86 | 32% | 0.315 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 176.7 | 170.8 | 0 | 0 | 0 | 0 | 111 | Y253 E254 E260 N261 | Y253-V257 HydrophobicContact CD1-CG2 4.08Å; Y253-V257 HydrophobicContact CD2-CG2 4.48Å; Y253-V257 HydrophobicContact CE1-CG2 3.61Å; Y253-V257 HydrophobicContact CE2-CG2 4.05Å; Y253-V257 HydrophobicContact CG-CG2 4.49Å; Y253-V257 WeakPolarHBondContact O-CG2 3.33Å; Y253-V257 PolarHBondContact O-N 3.19Å; E254-V257 PolarHBondContact O-N 2.89Å; V257-E260 PolarHBondContact O-N 2.98Å; V257-N261 WeakPolarHBondContact O-CB 3.41Å; V257-N261 VanDerWaalsContact O-CG 3.25Å; V257-N261 PolarHBondContact O-N 3.02Å; V257-N261 PolarHBondContact O-ND2 3.21Å |
| 258 | A | 98.5 | Very high | 97.3 | Very high | 29 Ų | 29 | 89 Ų | 89 | 24% | 0.24 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65 | -43.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E254 Q255 N261 K262 L281 | E254-A258 PolarHBondContact O-N 2.97Å; Q255-A258 PolarHBondContact O-N 3.31Å; A258-N261 PolarHBondContact O-N 3.47Å; A258-K262 PolarHBondContact O-N 3.23Å; A258-L281 HydrophobicContact CB-CD1 4Å; A258-L281 HydrophobicContact CB-CD2 3.57Å; A258-L281 HydrophobicContact CB-CG 4.41Å |
| 259 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 174.8 | -72.3 | 164.6 | 0 | 0 | 0 | 111.7 | Q255 K262 F263 L277 L281 L283 V288 W291 F292 | Q255-L259 WeakPolarHBondContact O-CB 3.34Å; Q255-L259 WeakPolarHBondContact O-CD1 3.36Å; Q255-L259 WeakPolarHBondContact O-CG 3.39Å; Q255-L259 PolarHBondContact O-N 3.31Å; L259-K262 PolarHBondContact O-N 2.9Å; L259-F263 WeakPolarHBondContact O-CB 3.35Å; L259-F263 PolarHBondContact O-N 3.27Å; L259-L277 HydrophobicContact CD2-CD2 4Å; L259-L277 HydrophobicContact CD2-CG 4.42Å; L259-L281 HydrophobicContact CD2-CD1 3.96Å; L259-L281 HydrophobicContact CG-CD1 3.78Å; L259-L283 HydrophobicContact CD1-CD1 4.19Å; L259-V288 HydrophobicContact CD2-CG1 4.21Å; L259-V288 HydrophobicContact CD2-CG2 4.48Å; L259-W291 HydrophobicContact CB-CD2 3.9Å; L259-W291 HydrophobicContact CB-CE3 3.89Å; L259-W291 HydrophobicContact CB-CH2 3.73Å; L259-W291 HydrophobicContact CB-CZ2 3.69Å; L259-W291 HydrophobicContact CB-CZ3 3.82Å; L259-W291 HydrophobicContact CD1-CD2 3.92Å; L259-W291 HydrophobicContact CD1-CG 3.85Å; L259-W291 HydrophobicContact CD2-CD2 4.39Å; L259-W291 HydrophobicContact CD2-CE3 4.3Å; L259-W291 HydrophobicContact CG-CD2 4.29Å; L259-W291 HydrophobicContact CG-CE3 4.48Å; L259-F292 HydrophobicContact CD2-CD2 4.5Å; L259-F292 HydrophobicContact CD2-CE2 4Å |
| 260 | E | 98.6 | Very high | 98.1 | Very high | 42 Ų | 42 | 75.8 Ų | 75.8 | 20% | 0.196 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 176.8 | -168.9 | 67 | -125.8 | 0 | 0 | 112.2 | L256 V257 F263 K264 W291 R295 | L256-E260 VanDerWaalsContact O-CB 3.27Å; L256-E260 WeakPolarHBondContact O-CB 3.44Å; L256-E260 PolarHBondContact O-N 3.27Å; V257-E260 PolarHBondContact O-N 2.98Å; E260-F263 PolarHBondContact O-N 3.2Å; E260-K264 WeakPolarHBondContact O-CG 3.44Å; E260-K264 PolarHBondContact O-N 2.94Å; E260-W291 HydrophobicContact CB-CH2 4.34Å; E260-R295 VanDerWaalsContact CD-NH2 3.33Å; E260-R295 IonicContact OE1-CZ 2.92Å; E260-R295 IonicContact OE1-NE 2.62Å; E260-R295 PolarHBondContact OE1-NE 2.92Å; E260-R295 VanDerWaalsContact OE1-NE 3.07Å; E260-R295 IonicContact OE1-NH1 3.64Å; E260-R295 IonicContact OE1-NH2 2.68Å; E260-R295 PolarHBondContact OE1-NH2 3.47Å; E260-R295 IonicContact OE2-CZ 2.84Å; E260-R295 IonicContact OE2-NE 3.59Å; E260-R295 PolarHBondContact OE2-NE 3.1Å; E260-R295 VanDerWaalsContact OE2-NE 3.13Å; E260-R295 IonicContact OE2-NH1 2.75Å; E260-R295 PolarHBondContact OE2-NH1 3.43Å; E260-R295 IonicContact OE2-NH2 3.34Å; E260-R295 PolarHBondContact OE2-NH2 3.07Å |
| 261 | N | 98.5 | Very high | 98.2 | Very high | 75 Ų | 75 | 76 Ų | 76 | 40% | 0.401 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 176.6 | -74.6 | -16.7 | 0 | 0 | 0 | 111.8 | V257 A258 F263 K264 | V257-N261 WeakPolarHBondContact O-CB 3.41Å; V257-N261 VanDerWaalsContact O-CG 3.25Å; V257-N261 PolarHBondContact O-N 3.02Å; V257-N261 PolarHBondContact O-ND2 3.21Å; A258-N261 PolarHBondContact O-N 3.47Å; N261-F263 VanDerWaalsContact C-N 3.33Å; N261-F263 PolarHBondContact O-N 2.82Å; N261-K264 PolarHBondContact O-N 3.36Å; N261-K264 PolarHBondContact OD1-NZ 3.39Å |
| 262 | K | 98.3 | Very high | 98.3 | Very high | 115 Ų | 115 | 77 Ų | 77 | 50% | 0.5 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.6 | -36 | 171.8 | -71.6 | -65 | -172.9 | -179.1 | 0 | 112.6 | A258 L259 K264 S265 T266 L277 F292 | A258-K262 PolarHBondContact O-N 3.23Å; L259-K262 PolarHBondContact O-N 2.9Å; K262-K264 VanDerWaalsContact C-N 3.3Å; K262-K264 PolarHBondContact O-N 2.87Å; K262-S265 PolarHBondContact O-N 2.92Å; K262-T266 PolarHBondContact O-N 3.4Å; K262-L277 HydrophobicContact CB-CD2 4.06Å; K262-L277 HydrophobicContact CG-CD1 3.91Å; K262-L277 HydrophobicContact CG-CD2 4.01Å; K262-F292 HydrophobicContact CB-CZ 4.24Å |
| 263 | F | 98.5 | Very high | 98.3 | Very high | 4 Ų | 4 | 77.5 Ų | 77.5 | 2% | 0.018 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.4 | -27.5 | 176.9 | -172.4 | -98.4 | 0 | 0 | 0 | 114.2 | L259 E260 N261 T266 R267 W291 F292 R295 R296 W299 | L259-F263 WeakPolarHBondContact O-CB 3.35Å; L259-F263 PolarHBondContact O-N 3.27Å; E260-F263 PolarHBondContact O-N 3.2Å; N261-F263 VanDerWaalsContact C-N 3.33Å; N261-F263 PolarHBondContact O-N 2.82Å; F263-T266 WeakPolarHBondContact CA-O 3.29Å; F263-T266 CarbonylContact O-C 3.6Å; F263-R267 HydrophobicContact CE2-CB 4.26Å; F263-R267 HydrophobicContact CZ-CG 4.45Å; F263-R267 WeakPolarHBondContact O-CD 3.26Å; F263-R267 PolarHBondContact O-NE 3.48Å; F263-W291 HydrophobicContact CB-CH2 4.34Å; F263-W291 HydrophobicContact CB-CZ3 4.09Å; F263-W291 HydrophobicContact CG-CZ3 4.45Å; F263-F292 HydrophobicContact CB-CE1 4.2Å; F263-F292 HydrophobicContact CB-CZ 4.29Å; F263-F292 AromaticContact CD2-CD1 3.85Å; F263-F292 HydrophobicContact CD2-CD1 3.85Å; F263-F292 AromaticContact CD2-CE1 3.78Å; F263-F292 HydrophobicContact CD2-CE1 3.78Å; F263-F292 HydrophobicContact CE2-CD1 4.49Å; F263-F292 HydrophobicContact CG-CE1 4.5Å; F263-R295 HydrophobicContact CB-CG 4.42Å; F263-R295 HydrophobicContact CD1-CG 3.59Å; F263-R295 HydrophobicContact CD2-CB 4.21Å; F263-R295 HydrophobicContact CD2-CG 3.58Å; F263-R295 HydrophobicContact CE1-CG 3.6Å; F263-R295 HydrophobicContact CE2-CB 4.07Å; F263-R295 HydrophobicContact CE2-CG 3.59Å; F263-R295 HydrophobicContact CG-CG 3.58Å; F263-R295 HydrophobicContact CZ-CB 4.37Å; F263-R295 HydrophobicContact CZ-CG 3.59Å; F263-R296 HydrophobicContact CE2-CG 3.85Å; F263-R296 HydrophobicContact CZ-CG 4.28Å; F263-W299 HydrophobicContact CE1-CB 4.08Å; F263-W299 HydrophobicContact CE1-CG 4.17Å; F263-W299 HydrophobicContact CZ-CB 3.99Å; F263-W299 HydrophobicContact CZ-CG 4.29Å |
| 264 | K | 97.8 | Very high | 98.3 | Very high | 136 Ų | 136 | 70.9 Ų | 70.9 | 59% | 0.591 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.8 | -43.3 | 171.9 | -67.7 | 166.5 | -168.7 | 166.2 | 0 | 111.1 | E260 N261 K262 | E260-K264 WeakPolarHBondContact O-CG 3.44Å; E260-K264 PolarHBondContact O-N 2.94Å; N261-K264 PolarHBondContact O-N 3.36Å; N261-K264 PolarHBondContact OD1-NZ 3.39Å; K262-K264 VanDerWaalsContact C-N 3.3Å; K262-K264 PolarHBondContact O-N 2.87Å |
| 265 | S | 97.5 | Very high | 98.3 | Very high | 107 Ų | 107 | 67.2 Ų | 67.2 | 75% | 0.748 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -71.9 | -45 | 178.9 | -51.4 | 0 | 0 | 0 | 0 | 112.8 | K262 | K262-S265 PolarHBondContact O-N 2.92Å |
| 266 | T | 97.4 | Very high | 98.3 | Very high | 41 Ų | 41 | 70.3 Ų | 70.3 | 25% | 0.252 | 37% | 0.367 | S | S | . | . | | | trans | -143 | 135.6 | 176.2 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | K262 F263 Y268 L269 | K262-T266 PolarHBondContact O-N 3.4Å; F263-T266 WeakPolarHBondContact CA-O 3.29Å; F263-T266 CarbonylContact O-C 3.6Å; T266-Y268 VanDerWaalsContact C-N 3.34Å; T266-Y268 PolarHBondContact OG1-N 2.83Å; T266-Y268 PolarHBondContact OG1-O 3.22Å; T266-L269 HydrophobicContact CG2-CD2 3.65Å |
| 267 | R | 97.5 | Very high | 98.3 | Very high | 89 Ų | 89 | 67.8 Ų | 67.8 | 34% | 0.336 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -82.4 | -14.4 | 178.1 | -55.1 | -68.9 | 171.4 | 67.8 | 1.6 | 112.6 | F263 R296 | F263-R267 HydrophobicContact CE2-CB 4.26Å; F263-R267 HydrophobicContact CZ-CG 4.45Å; F263-R267 WeakPolarHBondContact O-CD 3.26Å; F263-R267 PolarHBondContact O-NE 3.48Å; R267-R296 WeakPolarHBondContact O-CD 3.21Å |
| 268 | Y | 98.2 | Very high | 98.3 | Very high | 159 Ų | 159 | 65.4 Ų | 65.4 | 62% | 0.624 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -137.4 | 116.8 | -173.7 | -66.6 | -109.2 | 0 | 0 | 0 | 109 | T266 | T266-Y268 VanDerWaalsContact C-N 3.34Å; T266-Y268 PolarHBondContact OG1-N 2.83Å; T266-Y268 PolarHBondContact OG1-O 3.22Å |
| 269 | L | 98.3 | Very high | 98.3 | Very high | 27 Ų | 27 | 69.9 Ų | 69.9 | 14% | 0.141 | 36% | 0.359 | C | S | . | . | | | trans | -91.1 | 134.7 | 175.8 | -60.8 | 177.2 | 0 | 0 | 0 | 111.3 | T266 E273 R274 L277 V288 F292 | T266-L269 HydrophobicContact CG2-CD2 3.65Å; L269-E273 HydrophobicContact CB-CB 4.32Å; L269-E273 HydrophobicContact CD2-CB 4.04Å; L269-R274 HydrophobicContact CB-CB 4.36Å; L269-R274 HydrophobicContact CD1-CB 4.44Å; L269-L277 HydrophobicContact CD1-CD2 3.85Å; L269-V288 HydrophobicContact CD1-CG1 3.92Å; L269-F292 HydrophobicContact CD1-CD1 4.22Å; L269-F292 HydrophobicContact CD1-CD2 3.88Å; L269-F292 HydrophobicContact CD1-CE1 3.89Å; L269-F292 HydrophobicContact CD1-CE2 3.55Å; L269-F292 HydrophobicContact CD1-CG 4.22Å; L269-F292 HydrophobicContact CD1-CZ 3.56Å; L269-F292 HydrophobicContact CD2-CE1 4.11Å; L269-F292 HydrophobicContact CD2-CZ 4.13Å; L269-F292 HydrophobicContact CG-CD1 4.02Å; L269-F292 HydrophobicContact CG-CE1 3.66Å; L269-F292 HydrophobicContact CG-CE2 4.27Å; L269-F292 HydrophobicContact CG-CG 4.47Å; L269-F292 HydrophobicContact CG-CZ 3.82Å |
| 270 | S | 98.4 | Very high | 98.3 | Very high | 57 Ų | 57 | 74.7 Ų | 74.7 | 40% | 0.399 | 39% | 0.392 | S | S | . | . | | | trans | -60.9 | 173.2 | 161.3 | 68.4 | 0 | 0 | 0 | 0 | 111.6 | E273 R274 | S270-E273 WeakPolarHBondContact CB-OE2 3.3Å; S270-E273 PolarHBondContact N-OE2 2.81Å; S270-E273 VanDerWaalsContact OG-CG 3.26Å; S270-E273 WeakPolarHBondContact OG-CG 3.38Å; S270-E273 PolarHBondContact OG-N 3.47Å; S270-E273 PolarHBondContact OG-OE2 3.29Å; S270-R274 WeakPolarHBondContact O-CB 3.42Å; S270-R274 PolarHBondContact O-N 3.21Å |
| 271 | V | 98.3 | Very high | 98.3 | Very high | 97 Ų | 97 | 73.8 Ų | 73.8 | 59% | 0.588 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.3 | -46.1 | 177.4 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | R274 L275 | V271-R274 PolarHBondContact O-N 2.62Å; V271-L275 PolarHBondContact O-N 3.08Å |
| 272 | C | 98.3 | Very high | 98.3 | Very high | 81 Ų | 81 | 75.3 Ų | 75.3 | 55% | 0.547 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.4 | -47.6 | -179.6 | -175.6 | 0 | 0 | 0 | 0 | 112.2 | R274 L275 N276 | C272-R274 VanDerWaalsContact C-N 3.27Å; C272-R274 PolarHBondContact O-N 2.82Å; C272-L275 PolarHBondContact O-N 2.95Å; C272-N276 PolarHBondContact O-N 2.81Å; C272-N276 PolarHBondContact O-ND2 2.78Å |
| 273 | E | 98.5 | Very high | 98.2 | Very high | 83 Ų | 83 | 70.8 Ų | 70.8 | 39% | 0.388 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 177.3 | -67.4 | 166.1 | 107 | 0 | 0 | 112.6 | L269 S270 L277 | L269-E273 HydrophobicContact CB-CB 4.32Å; L269-E273 HydrophobicContact CD2-CB 4.04Å; S270-E273 WeakPolarHBondContact CB-OE2 3.3Å; S270-E273 PolarHBondContact N-OE2 2.81Å; S270-E273 VanDerWaalsContact OG-CG 3.26Å; S270-E273 WeakPolarHBondContact OG-CG 3.38Å; S270-E273 PolarHBondContact OG-N 3.47Å; S270-E273 PolarHBondContact OG-OE2 3.29Å; E273-L277 VanDerWaalsContact O-CB 3.29Å; E273-L277 WeakPolarHBondContact O-CB 3.37Å; E273-L277 PolarHBondContact O-N 2.73Å |
| 274 | R | 98.7 | Very high | 98.2 | Very high | 48 Ų | 48 | 74.2 Ų | 74.2 | 18% | 0.181 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 176.9 | -169.2 | -164.6 | -47.9 | 120.7 | 11.5 | 111.6 | L269 S270 V271 C272 L277 A278 E285 V288 | L269-R274 HydrophobicContact CB-CB 4.36Å; L269-R274 HydrophobicContact CD1-CB 4.44Å; S270-R274 WeakPolarHBondContact O-CB 3.42Å; S270-R274 PolarHBondContact O-N 3.21Å; V271-R274 PolarHBondContact O-N 2.62Å; C272-R274 VanDerWaalsContact C-N 3.27Å; C272-R274 PolarHBondContact O-N 2.82Å; R274-L277 PolarHBondContact O-N 2.91Å; R274-A278 WeakPolarHBondContact O-CB 3.41Å; R274-A278 PolarHBondContact O-N 3.49Å; R274-E285 WeakPolarHBondContact CD-O 3.35Å; R274-E285 HydrophobicContact CG-CB 4.49Å; R274-E285 HydrophobicContact CG-CG 4.37Å; R274-E285 IonicContact CZ-OE2 3.13Å; R274-E285 IonicContact NH1-OE2 3.07Å; R274-E285 PolarHBondContact NH1-OE2 3.02Å; R274-V288 HydrophobicContact CG-CB 4.02Å; R274-V288 HydrophobicContact CG-CG1 3.85Å |
| 275 | L | 98.6 | Very high | 98.3 | Very high | 77 Ų | 77 | 71 Ų | 71 | 40% | 0.403 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62 | -49.1 | 177.2 | -177.3 | 63.8 | 0 | 0 | 0 | 110.6 | V271 C272 L277 A278 L279 E285 | V271-L275 PolarHBondContact O-N 3.08Å; C272-L275 PolarHBondContact O-N 2.95Å; L275-L277 PolarHBondContact O-N 3.13Å; L275-A278 WeakPolarHBondContact O-CB 3.47Å; L275-A278 PolarHBondContact O-N 2.97Å; L275-L279 HydrophobicContact CG-CD1 4.3Å; L275-L279 WeakPolarHBondContact O-CG 3.29Å; L275-L279 PolarHBondContact O-N 3.45Å; L275-E285 HydrophobicContact CD1-CG 4.19Å |
| 276 | N | 98.6 | Very high | 98.3 | Very high | 88 Ų | 88 | 70 Ų | 70 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.7 | -46 | 177.5 | -68.7 | -19.5 | 0 | 0 | 0 | 111.8 | C272 A278 L279 S280 | C272-N276 PolarHBondContact O-N 2.81Å; C272-N276 PolarHBondContact O-ND2 2.78Å; N276-A278 VanDerWaalsContact C-N 3.34Å; N276-A278 PolarHBondContact O-N 2.76Å; N276-L279 PolarHBondContact O-N 2.96Å; N276-S280 PolarHBondContact O-N 3.21Å; N276-S280 PolarHBondContact O-OG 3Å; N276-S280 VanDerWaalsContact O-OG 3.1Å |
| 277 | L | 98.6 | Very high | 98.3 | Very high | 16 Ų | 16 | 70.4 Ų | 70.4 | 8% | 0.084 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.9 | -32.8 | 178.6 | -171.4 | 58.8 | 0 | 0 | 0 | 113.1 | L259 K262 L269 E273 R274 L275 L281 V288 F292 | L259-L277 HydrophobicContact CD2-CD2 4Å; L259-L277 HydrophobicContact CD2-CG 4.42Å; K262-L277 HydrophobicContact CB-CD2 4.06Å; K262-L277 HydrophobicContact CG-CD1 3.91Å; K262-L277 HydrophobicContact CG-CD2 4.01Å; L269-L277 HydrophobicContact CD1-CD2 3.85Å; E273-L277 VanDerWaalsContact O-CB 3.29Å; E273-L277 WeakPolarHBondContact O-CB 3.37Å; E273-L277 PolarHBondContact O-N 2.73Å; R274-L277 PolarHBondContact O-N 2.91Å; L275-L277 PolarHBondContact O-N 3.13Å; L277-L281 HydrophobicContact CD1-CD1 3.68Å; L277-L281 HydrophobicContact CD1-CG 4.07Å; L277-L281 HydrophobicContact CG-CD1 4.03Å; L277-L281 WeakPolarHBondContact O-CB 3.34Å; L277-L281 WeakPolarHBondContact O-CG 3.44Å; L277-L281 PolarHBondContact O-N 3.07Å; L277-V288 HydrophobicContact CD2-CG1 4.1Å; L277-F292 HydrophobicContact CD2-CE2 3.97Å; L277-F292 HydrophobicContact CD2-CZ 4.33Å |
| 278 | A | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 66.2 Ų | 66.2 | 3% | 0.025 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.7 | -48 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | R274 L275 N276 L281 S282 L283 E285 V288 | R274-A278 WeakPolarHBondContact O-CB 3.41Å; R274-A278 PolarHBondContact O-N 3.49Å; L275-A278 WeakPolarHBondContact O-CB 3.47Å; L275-A278 PolarHBondContact O-N 2.97Å; N276-A278 VanDerWaalsContact C-N 3.34Å; N276-A278 PolarHBondContact O-N 2.76Å; A278-L281 PolarHBondContact O-N 3.08Å; A278-S282 PolarHBondContact O-N 3.19Å; A278-S282 VanDerWaalsContact O-N 3.16Å; A278-L283 CarbonylContact C-O 3.41Å; A278-L283 WeakPolarHBondContact CB-O 3.19Å; A278-L283 PolarHBondContact O-N 2.93Å; A278-L283 VanDerWaalsContact O-O 3.09Å; A278-E285 HydrophobicContact CB-CG 4.35Å; A278-V288 HydrophobicContact CB-CG2 3.98Å |
| 279 | L | 98.6 | Very high | 98.4 | Very high | 123 Ų | 123 | 65 Ų | 65 | 64% | 0.644 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60 | -52.1 | 176.4 | -67.4 | 171.3 | 0 | 0 | 0 | 111.9 | L275 N276 L281 S282 | L275-L279 HydrophobicContact CG-CD1 4.3Å; L275-L279 WeakPolarHBondContact O-CG 3.29Å; L275-L279 PolarHBondContact O-N 3.45Å; N276-L279 PolarHBondContact O-N 2.96Å; L279-L281 PolarHBondContact O-N 3.35Å; L279-L281 VanDerWaalsContact O-N 3.15Å; L279-S282 PolarHBondContact O-N 3.31Å |
| 280 | S | 98.4 | Very high | 98.4 | Very high | 101 Ų | 101 | 68 Ų | 68 | 71% | 0.706 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.6 | -23.9 | -178.6 | -57.6 | 0 | 0 | 0 | 0 | 114.4 | N276 | N276-S280 PolarHBondContact O-N 3.21Å; N276-S280 PolarHBondContact O-OG 3Å; N276-S280 VanDerWaalsContact O-OG 3.1Å |
| 281 | L | 98.2 | Very high | 98.4 | Very high | 23 Ų | 23 | 66.8 Ų | 66.8 | 12% | 0.12 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 5.9 | -177.1 | -61.9 | -176 | 0 | 0 | 0 | 114 | Q255 A258 L259 L277 A278 L279 L283 | Q255-L281 HydrophobicContact CG-CB 4.36Å; Q255-L281 PolarHBondContact NE2-O 3.11Å; A258-L281 HydrophobicContact CB-CD1 4Å; A258-L281 HydrophobicContact CB-CD2 3.57Å; A258-L281 HydrophobicContact CB-CG 4.41Å; L259-L281 HydrophobicContact CD2-CD1 3.96Å; L259-L281 HydrophobicContact CG-CD1 3.78Å; L277-L281 HydrophobicContact CD1-CD1 3.68Å; L277-L281 HydrophobicContact CD1-CG 4.07Å; L277-L281 HydrophobicContact CG-CD1 4.03Å; L277-L281 WeakPolarHBondContact O-CB 3.34Å; L277-L281 WeakPolarHBondContact O-CG 3.44Å; L277-L281 PolarHBondContact O-N 3.07Å; A278-L281 PolarHBondContact O-N 3.08Å; L279-L281 PolarHBondContact O-N 3.35Å; L279-L281 VanDerWaalsContact O-N 3.15Å; L281-L283 HydrophobicContact CB-CD1 4.27Å; L281-L283 HydrophobicContact CB-CG 4.13Å; L281-L283 PolarHBondContact O-N 3.48Å |
| 282 | S | 98.4 | Very high | 98.4 | Very high | 107 Ų | 107 | 62.5 Ų | 62.5 | 75% | 0.748 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 40.6 | -171.9 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | A278 L279 | A278-S282 PolarHBondContact O-N 3.19Å; A278-S282 VanDerWaalsContact O-N 3.16Å; L279-S282 PolarHBondContact O-N 3.31Å |
| 283 | L | 98 | Very high | 98.5 | Very high | 20 Ų | 20 | 62.9 Ų | 62.9 | 11% | 0.105 | 34% | 0.335 | C | S | . | . | | | trans | -112.2 | 161.8 | 175.7 | -63.7 | -176.1 | 0 | 0 | 0 | 111.1 | F251 L259 A278 L281 Q287 V288 | F251-L283 HydrophobicContact CD1-CD1 3.93Å; F251-L283 HydrophobicContact CD1-CD2 3.72Å; F251-L283 HydrophobicContact CE1-CD1 3.88Å; F251-L283 HydrophobicContact CE1-CD2 3.73Å; F251-L283 HydrophobicContact CE1-CG 4.45Å; L259-L283 HydrophobicContact CD1-CD1 4.19Å; A278-L283 CarbonylContact C-O 3.41Å; A278-L283 WeakPolarHBondContact CB-O 3.19Å; A278-L283 PolarHBondContact O-N 2.93Å; A278-L283 VanDerWaalsContact O-O 3.09Å; L281-L283 HydrophobicContact CB-CD1 4.27Å; L281-L283 HydrophobicContact CB-CG 4.13Å; L281-L283 PolarHBondContact O-N 3.48Å; L283-Q287 HydrophobicContact CB-CB 4.41Å; L283-V288 HydrophobicContact CB-CG2 4.2Å; L283-V288 HydrophobicContact CD1-CG2 4.45Å |
| 284 | T | 98.5 | Very high | 98.4 | Very high | 75 Ų | 75 | 63.6 Ų | 63.6 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | | | trans | -80.5 | 150.7 | 167.2 | 61.2 | 0 | 0 | 0 | 0 | 111.2 | T286 Q287 V288 | T284-T286 PolarHBondContact O-N 3.22Å; T284-T286 VanDerWaalsContact O-N 3.15Å; T284-Q287 WeakPolarHBondContact O-CB 3.15Å; T284-Q287 PolarHBondContact O-N 2.85Å; T284-Q287 WeakPolarHBondContact OG1-CG 3.45Å; T284-Q287 PolarHBondContact OG1-N 3.32Å; T284-Q287 PolarHBondContact OG1-OE1 3Å; T284-V288 PolarHBondContact O-N 3.41Å; T284-V288 VanDerWaalsContact O-N 3.11Å |
| 285 | E | 98.4 | Very high | 98.4 | Very high | 68 Ų | 68 | 63.6 Ų | 63.6 | 32% | 0.318 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -49.4 | -40.2 | 170.3 | -83.7 | -164.4 | -100.4 | 0 | 0 | 112.7 | R274 L275 A278 V288 K289 | R274-E285 WeakPolarHBondContact CD-O 3.35Å; R274-E285 HydrophobicContact CG-CB 4.49Å; R274-E285 HydrophobicContact CG-CG 4.37Å; R274-E285 IonicContact CZ-OE2 3.13Å; R274-E285 IonicContact NH1-OE2 3.07Å; R274-E285 PolarHBondContact NH1-OE2 3.02Å; L275-E285 HydrophobicContact CD1-CG 4.19Å; A278-E285 HydrophobicContact CB-CG 4.35Å; E285-V288 PolarHBondContact O-N 3.36Å; E285-K289 VanDerWaalsContact O-CB 3.29Å; E285-K289 WeakPolarHBondContact O-CB 3.39Å; E285-K289 PolarHBondContact O-N 3.45Å |
| 286 | T | 98.3 | Very high | 98.4 | Very high | 88 Ų | 88 | 62.7 Ų | 62.7 | 54% | 0.54 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 178.6 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | T284 K289 I290 | T284-T286 PolarHBondContact O-N 3.22Å; T284-T286 VanDerWaalsContact O-N 3.15Å; T286-K289 PolarHBondContact O-N 3.12Å; T286-I290 HydrophobicContact CG2-CD1 3.78Å; T286-I290 HydrophobicContact CG2-CG1 4.47Å; T286-I290 WeakPolarHBondContact O-CB 3.41Å; T286-I290 VanDerWaalsContact O-CG1 3.22Å; T286-I290 WeakPolarHBondContact O-CG1 3.39Å; T286-I290 PolarHBondContact O-N 2.95Å |
| 287 | Q | 98.2 | Very high | 98.3 | Very high | 49 Ų | 49 | 62.4 Ų | 62.4 | 23% | 0.229 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.1 | -45 | 173.6 | -77.4 | 162.6 | -61.7 | 0 | 0 | 111.6 | F251 L283 T284 I290 W291 | F251-Q287 HydrophobicContact CE1-CB 4Å; F251-Q287 HydrophobicContact CE1-CG 4.14Å; F251-Q287 HydrophobicContact CZ-CB 3.95Å; F251-Q287 HydrophobicContact CZ-CG 4.21Å; L283-Q287 HydrophobicContact CB-CB 4.41Å; T284-Q287 WeakPolarHBondContact O-CB 3.15Å; T284-Q287 PolarHBondContact O-N 2.85Å; T284-Q287 WeakPolarHBondContact OG1-CG 3.45Å; T284-Q287 PolarHBondContact OG1-N 3.32Å; T284-Q287 PolarHBondContact OG1-OE1 3Å; Q287-I290 PolarHBondContact O-N 3.23Å; Q287-W291 WeakPolarHBondContact O-CB 3.22Å; Q287-W291 PolarHBondContact O-N 3.22Å |
| 288 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 176.3 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | L259 L269 R274 L277 A278 L283 T284 E285 I290 W291 F292 | L259-V288 HydrophobicContact CD2-CG1 4.21Å; L259-V288 HydrophobicContact CD2-CG2 4.48Å; L269-V288 HydrophobicContact CD1-CG1 3.92Å; R274-V288 HydrophobicContact CG-CB 4.02Å; R274-V288 HydrophobicContact CG-CG1 3.85Å; L277-V288 HydrophobicContact CD2-CG1 4.1Å; A278-V288 HydrophobicContact CB-CG2 3.98Å; L283-V288 HydrophobicContact CB-CG2 4.2Å; L283-V288 HydrophobicContact CD1-CG2 4.45Å; T284-V288 PolarHBondContact O-N 3.41Å; T284-V288 VanDerWaalsContact O-N 3.11Å; E285-V288 PolarHBondContact O-N 3.36Å; V288-I290 PolarHBondContact O-N 3.14Å; V288-W291 PolarHBondContact O-N 2.93Å; V288-F292 HydrophobicContact CG1-CD2 3.93Å; V288-F292 HydrophobicContact CG1-CE2 4.15Å; V288-F292 WeakPolarHBondContact O-CD2 3.39Å; V288-F292 PolarHBondContact O-N 3.09Å |
| 289 | K | 98.3 | Very high | 98.1 | Very high | 133 Ų | 133 | 69 Ų | 69 | 58% | 0.578 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -57.8 | -47.6 | 175.9 | 179.4 | 177.6 | 176.5 | 179.4 | 0 | 112.1 | E285 T286 Q293 | E285-K289 VanDerWaalsContact O-CB 3.29Å; E285-K289 WeakPolarHBondContact O-CB 3.39Å; E285-K289 PolarHBondContact O-N 3.45Å; T286-K289 PolarHBondContact O-N 3.12Å; K289-Q293 WeakPolarHBondContact O-CB 3.41Å; K289-Q293 PolarHBondContact O-N 3.37Å |
| 290 | I | 98.4 | Very high | 97.9 | Very high | 92 Ų | 92 | 69.2 Ų | 69.2 | 47% | 0.472 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 178 | -70.6 | 167.9 | 0 | 0 | 0 | 110.7 | T286 Q287 V288 Q293 N294 | T286-I290 HydrophobicContact CG2-CD1 3.78Å; T286-I290 HydrophobicContact CG2-CG1 4.47Å; T286-I290 WeakPolarHBondContact O-CB 3.41Å; T286-I290 VanDerWaalsContact O-CG1 3.22Å; T286-I290 WeakPolarHBondContact O-CG1 3.39Å; T286-I290 PolarHBondContact O-N 2.95Å; Q287-I290 PolarHBondContact O-N 3.23Å; V288-I290 PolarHBondContact O-N 3.14Å; I290-Q293 PolarHBondContact O-N 2.97Å; I290-N294 WeakPolarHBondContact O-CB 3.49Å; I290-N294 VanDerWaalsContact O-CG 3.23Å; I290-N294 PolarHBondContact O-N 3.49Å; I290-N294 PolarHBondContact O-ND2 3.44Å |
| 291 | W | 98.5 | Very high | 97.7 | Very high | 31 Ų | 31 | 73.1 Ų | 73.1 | 12% | 0.117 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.8 | -49.7 | 177.4 | -170.2 | 101.6 | 0 | 0 | 0 | 111.3 | F251 L256 L259 E260 F263 Q287 V288 Q293 N294 R295 | F251-W291 AromaticContact CD2-CD1 3.81Å; F251-W291 HydrophobicContact CE2-CB 4.45Å; F251-W291 AromaticContact CE2-CD1 3.71Å; F251-W291 HydrophobicContact CE2-CG 4.48Å; L256-W291 VanDerWaalsContact CD2-NE1 3.32Å; L259-W291 HydrophobicContact CB-CD2 3.9Å; L259-W291 HydrophobicContact CB-CE3 3.89Å; L259-W291 HydrophobicContact CB-CH2 3.73Å; L259-W291 HydrophobicContact CB-CZ2 3.69Å; L259-W291 HydrophobicContact CB-CZ3 3.82Å; L259-W291 HydrophobicContact CD1-CD2 3.92Å; L259-W291 HydrophobicContact CD1-CG 3.85Å; L259-W291 HydrophobicContact CD2-CD2 4.39Å; L259-W291 HydrophobicContact CD2-CE3 4.3Å; L259-W291 HydrophobicContact CG-CD2 4.29Å; L259-W291 HydrophobicContact CG-CE3 4.48Å; E260-W291 HydrophobicContact CB-CH2 4.34Å; F263-W291 HydrophobicContact CB-CH2 4.34Å; F263-W291 HydrophobicContact CB-CZ3 4.09Å; F263-W291 HydrophobicContact CG-CZ3 4.45Å; Q287-W291 WeakPolarHBondContact O-CB 3.22Å; Q287-W291 PolarHBondContact O-N 3.22Å; V288-W291 PolarHBondContact O-N 2.93Å; W291-Q293 VanDerWaalsContact C-N 3.33Å; W291-Q293 PolarHBondContact O-N 3.35Å; W291-N294 PolarHBondContact O-N 2.98Å; W291-R295 HydrophobicContact CE3-CB 3.93Å; W291-R295 HydrophobicContact CE3-CG 4.4Å; W291-R295 HydrophobicContact CH2-CB 4.04Å; W291-R295 HydrophobicContact CH2-CG 3.68Å; W291-R295 HydrophobicContact CZ2-CG 4.49Å; W291-R295 HydrophobicContact CZ3-CB 3.67Å; W291-R295 HydrophobicContact CZ3-CG 3.64Å; W291-R295 VanDerWaalsContact O-CB 3.3Å; W291-R295 WeakPolarHBondContact O-CB 3.23Å; W291-R295 PolarHBondContact O-N 3.23Å |
| 292 | F | 98.7 | Very high | 97.5 | Very high | 7 Ų | 7 | 77.3 Ų | 77.3 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 177.1 | -92.3 | -103.9 | 0 | 0 | 0 | 112.1 | L259 K262 F263 L269 L277 V288 R295 R296 | L259-F292 HydrophobicContact CD2-CD2 4.5Å; L259-F292 HydrophobicContact CD2-CE2 4Å; K262-F292 HydrophobicContact CB-CZ 4.24Å; F263-F292 HydrophobicContact CB-CE1 4.2Å; F263-F292 HydrophobicContact CB-CZ 4.29Å; F263-F292 AromaticContact CD2-CD1 3.85Å; F263-F292 HydrophobicContact CD2-CD1 3.85Å; F263-F292 AromaticContact CD2-CE1 3.78Å; F263-F292 HydrophobicContact CD2-CE1 3.78Å; F263-F292 HydrophobicContact CE2-CD1 4.49Å; F263-F292 HydrophobicContact CG-CE1 4.5Å; L269-F292 HydrophobicContact CD1-CD1 4.22Å; L269-F292 HydrophobicContact CD1-CD2 3.88Å; L269-F292 HydrophobicContact CD1-CE1 3.89Å; L269-F292 HydrophobicContact CD1-CE2 3.55Å; L269-F292 HydrophobicContact CD1-CG 4.22Å; L269-F292 HydrophobicContact CD1-CZ 3.56Å; L269-F292 HydrophobicContact CD2-CE1 4.11Å; L269-F292 HydrophobicContact CD2-CZ 4.13Å; L269-F292 HydrophobicContact CG-CD1 4.02Å; L269-F292 HydrophobicContact CG-CE1 3.66Å; L269-F292 HydrophobicContact CG-CE2 4.27Å; L269-F292 HydrophobicContact CG-CG 4.47Å; L269-F292 HydrophobicContact CG-CZ 3.82Å; L277-F292 HydrophobicContact CD2-CE2 3.97Å; L277-F292 HydrophobicContact CD2-CZ 4.33Å; V288-F292 HydrophobicContact CG1-CD2 3.93Å; V288-F292 HydrophobicContact CG1-CE2 4.15Å; V288-F292 WeakPolarHBondContact O-CD2 3.39Å; V288-F292 PolarHBondContact O-N 3.09Å; F292-R295 PolarHBondContact O-N 2.83Å; F292-R296 WeakPolarHBondContact O-CG 3.39Å; F292-R296 PolarHBondContact O-N 3.38Å |
| 293 | Q | 98.6 | Very high | 97.1 | Very high | 88 Ų | 88 | 75.1 Ų | 75.1 | 41% | 0.411 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 174.6 | -175.9 | 56.7 | 56.6 | 0 | 0 | 112 | K289 I290 W291 R295 R296 T297 | K289-Q293 WeakPolarHBondContact O-CB 3.41Å; K289-Q293 PolarHBondContact O-N 3.37Å; I290-Q293 PolarHBondContact O-N 2.97Å; W291-Q293 VanDerWaalsContact C-N 3.33Å; W291-Q293 PolarHBondContact O-N 3.35Å; Q293-R295 VanDerWaalsContact C-N 3.32Å; Q293-R295 PolarHBondContact O-N 3.43Å; Q293-R296 PolarHBondContact O-N 3.12Å; Q293-T297 PolarHBondContact O-N 3.45Å; Q293-T297 VanDerWaalsContact O-N 3.14Å; Q293-T297 PolarHBondContact O-OG1 2.95Å; Q293-T297 VanDerWaalsContact O-OG1 3.12Å |
| 294 | N | 98.1 | Very high | 96.4 | Very high | 99 Ų | 99 | 79.8 Ų | 79.8 | 53% | 0.529 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 177.2 | -69.6 | -26.4 | 0 | 0 | 0 | 111.7 | I290 W291 T297 K298 | I290-N294 WeakPolarHBondContact O-CB 3.49Å; I290-N294 VanDerWaalsContact O-CG 3.23Å; I290-N294 PolarHBondContact O-N 3.49Å; I290-N294 PolarHBondContact O-ND2 3.44Å; W291-N294 PolarHBondContact O-N 2.98Å; N294-T297 PolarHBondContact O-N 2.93Å; N294-K298 PolarHBondContact O-N 2.81Å |
| 295 | R | 98.2 | Very high | 95.5 | Very high | 47 Ų | 47 | 78.5 Ų | 78.5 | 18% | 0.177 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 178.8 | -174 | 68.7 | -159.5 | 175.8 | 4.6 | 111.8 | E260 F263 W291 F292 Q293 K298 W299 | E260-R295 VanDerWaalsContact CD-NH2 3.33Å; E260-R295 IonicContact OE1-CZ 2.92Å; E260-R295 IonicContact OE1-NE 2.62Å; E260-R295 PolarHBondContact OE1-NE 2.92Å; E260-R295 VanDerWaalsContact OE1-NE 3.07Å; E260-R295 IonicContact OE1-NH1 3.64Å; E260-R295 IonicContact OE1-NH2 2.68Å; E260-R295 PolarHBondContact OE1-NH2 3.47Å; E260-R295 IonicContact OE2-CZ 2.84Å; E260-R295 IonicContact OE2-NE 3.59Å; E260-R295 PolarHBondContact OE2-NE 3.1Å; E260-R295 VanDerWaalsContact OE2-NE 3.13Å; E260-R295 IonicContact OE2-NH1 2.75Å; E260-R295 PolarHBondContact OE2-NH1 3.43Å; E260-R295 IonicContact OE2-NH2 3.34Å; E260-R295 PolarHBondContact OE2-NH2 3.07Å; F263-R295 HydrophobicContact CB-CG 4.42Å; F263-R295 HydrophobicContact CD1-CG 3.59Å; F263-R295 HydrophobicContact CD2-CB 4.21Å; F263-R295 HydrophobicContact CD2-CG 3.58Å; F263-R295 HydrophobicContact CE1-CG 3.6Å; F263-R295 HydrophobicContact CE2-CB 4.07Å; F263-R295 HydrophobicContact CE2-CG 3.59Å; F263-R295 HydrophobicContact CG-CG 3.58Å; F263-R295 HydrophobicContact CZ-CB 4.37Å; F263-R295 HydrophobicContact CZ-CG 3.59Å; W291-R295 HydrophobicContact CE3-CB 3.93Å; W291-R295 HydrophobicContact CE3-CG 4.4Å; W291-R295 HydrophobicContact CH2-CB 4.04Å; W291-R295 HydrophobicContact CH2-CG 3.68Å; W291-R295 HydrophobicContact CZ2-CG 4.49Å; W291-R295 HydrophobicContact CZ3-CB 3.67Å; W291-R295 HydrophobicContact CZ3-CG 3.64Å; W291-R295 VanDerWaalsContact O-CB 3.3Å; W291-R295 WeakPolarHBondContact O-CB 3.23Å; W291-R295 PolarHBondContact O-N 3.23Å; F292-R295 PolarHBondContact O-N 2.83Å; Q293-R295 VanDerWaalsContact C-N 3.32Å; Q293-R295 PolarHBondContact O-N 3.43Å; R295-K298 PolarHBondContact O-N 3.22Å; R295-W299 WeakPolarHBondContact O-CB 3.48Å; R295-W299 PolarHBondContact O-N 2.96Å |
| 296 | R | 97.7 | Very high | 94.3 | Very high | 59 Ų | 59 | 78.1 Ų | 78.1 | 22% | 0.223 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 172.4 | -73.2 | -171.3 | -63.4 | -140.6 | 7.2 | 112.3 | F263 R267 F292 Q293 K298 W299 K300 | F263-R296 HydrophobicContact CE2-CG 3.85Å; F263-R296 HydrophobicContact CZ-CG 4.28Å; R267-R296 WeakPolarHBondContact O-CD 3.21Å; F292-R296 WeakPolarHBondContact O-CG 3.39Å; F292-R296 PolarHBondContact O-N 3.38Å; Q293-R296 PolarHBondContact O-N 3.12Å; R296-K298 VanDerWaalsContact C-N 3.33Å; R296-K298 PolarHBondContact O-N 2.78Å; R296-W299 PolarHBondContact O-N 3.34Å; R296-K300 PolarHBondContact O-N 3.32Å |
| 297 | T | 97.4 | Very high | 92.6 | Very high | 81 Ų | 81 | 77.9 Ų | 77.9 | 50% | 0.497 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 177.8 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | Q293 N294 K301 | Q293-T297 PolarHBondContact O-N 3.45Å; Q293-T297 VanDerWaalsContact O-N 3.14Å; Q293-T297 PolarHBondContact O-OG1 2.95Å; Q293-T297 VanDerWaalsContact O-OG1 3.12Å; N294-T297 PolarHBondContact O-N 2.93Å; T297-K301 PolarHBondContact O-N 2.93Å |
| 298 | K | 96.9 | Very high | 90.6 | Very high | 109 Ų | 109 | 81.1 Ų | 81.1 | 47% | 0.474 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 174.6 | -177.2 | -177.9 | 173.6 | -176.8 | 0 | 111.6 | N294 R295 R296 K300 K301 Q302 | N294-K298 PolarHBondContact O-N 2.81Å; R295-K298 PolarHBondContact O-N 3.22Å; R296-K298 VanDerWaalsContact C-N 3.33Å; R296-K298 PolarHBondContact O-N 2.78Å; K298-K300 PolarHBondContact O-N 3.22Å; K298-K301 PolarHBondContact O-N 3.21Å; K298-Q302 WeakPolarHBondContact O-CG 3.28Å; K298-Q302 PolarHBondContact O-N 3.08Å; K298-Q302 VanDerWaalsContact O-N 3.08Å |
| 299 | W | 95.6 | Very high | 88.5 | Confident | 48 Ų | 48 | 86.9 Ų | 86.9 | 18% | 0.182 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -60.3 | -45.8 | -178.6 | 179.8 | 79.6 | 0 | 0 | 0 | 111.9 | F263 R295 R296 K301 Q302 N303 A306 D307 | F263-W299 HydrophobicContact CE1-CB 4.08Å; F263-W299 HydrophobicContact CE1-CG 4.17Å; F263-W299 HydrophobicContact CZ-CB 3.99Å; F263-W299 HydrophobicContact CZ-CG 4.29Å; R295-W299 WeakPolarHBondContact O-CB 3.48Å; R295-W299 PolarHBondContact O-N 2.96Å; R296-W299 PolarHBondContact O-N 3.34Å; W299-K301 VanDerWaalsContact C-N 3.31Å; W299-K301 PolarHBondContact O-N 2.86Å; W299-Q302 CarbonylContact O-C 3.59Å; W299-Q302 PolarHBondContact O-N 3.45Å; W299-N303 VanDerWaalsContact CD1-ND2 3.28Å; W299-N303 HydrophobicContact CH2-CB 4.42Å; W299-N303 HydrophobicContact CZ2-CB 3.86Å; W299-N303 PolarHBondContact NE1-ND2 3.45Å; W299-N303 PolarHBondContact O-N 2.62Å; W299-N303 PolarHBondContact O-ND2 3.34Å; W299-A306 HydrophobicContact CH2-CB 3.69Å; W299-A306 HydrophobicContact CZ2-CB 3.81Å; W299-D307 WeakPolarHBondContact CH2-OD1 3.46Å; W299-D307 WeakPolarHBondContact CZ3-OD1 3.49Å |
| 300 | K | 95 | Very high | 86.3 | Confident | 129 Ų | 129 | 84.1 Ų | 84.1 | 56% | 0.561 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -59.2 | -38.9 | 175.5 | -172.7 | 173.6 | 71.7 | 165.5 | 0 | 112.6 | R296 K298 Q302 N303 | R296-K300 PolarHBondContact O-N 3.32Å; K298-K300 PolarHBondContact O-N 3.22Å; K300-Q302 VanDerWaalsContact C-N 3.29Å; K300-Q302 PolarHBondContact O-N 3.16Å; K300-N303 PolarHBondContact O-N 3.19Å |
| 301 | K | 94.1 | Very high | 84 | Confident | 183 Ų | 183 | 86 Ų | 86 | 80% | 0.796 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.5 | -28.9 | 175.1 | -173.7 | 175.5 | 179.5 | -179.2 | 0 | 112.8 | T297 K298 W299 | T297-K301 PolarHBondContact O-N 2.93Å; K298-K301 PolarHBondContact O-N 3.21Å; W299-K301 VanDerWaalsContact C-N 3.31Å; W299-K301 PolarHBondContact O-N 2.86Å |
| 302 | Q | 92.9 | Very high | 81.7 | Confident | 111 Ų | 111 | 90.8 Ų | 90.8 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -87 | -18.9 | -180 | -69.8 | -176.7 | -54.6 | 0 | 0 | 113.6 | K298 W299 K300 P304 | K298-Q302 WeakPolarHBondContact O-CG 3.28Å; K298-Q302 PolarHBondContact O-N 3.08Å; K298-Q302 VanDerWaalsContact O-N 3.08Å; W299-Q302 CarbonylContact O-C 3.59Å; W299-Q302 PolarHBondContact O-N 3.45Å; K300-Q302 VanDerWaalsContact C-N 3.29Å; K300-Q302 PolarHBondContact O-N 3.16Å; Q302-P304 VanDerWaalsContact C-CD 3.4Å |
| 303 | N | 90.3 | Very high | 79.3 | Confident | 61 Ų | 61 | 94.1 Ų | 94.1 | 33% | 0.326 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -128.8 | 58.3 | -175.5 | -57.6 | -100.5 | 0 | 0 | 0 | 110.7 | W299 K300 G305 A306 | W299-N303 VanDerWaalsContact CD1-ND2 3.28Å; W299-N303 HydrophobicContact CH2-CB 4.42Å; W299-N303 HydrophobicContact CZ2-CB 3.86Å; W299-N303 PolarHBondContact NE1-ND2 3.45Å; W299-N303 PolarHBondContact O-N 2.62Å; W299-N303 PolarHBondContact O-ND2 3.34Å; K300-N303 PolarHBondContact O-N 3.19Å; N303-G305 PolarHBondContact O-N 3.21Å; N303-A306 HydrophobicContact CB-CB 3.8Å; N303-A306 PolarHBondContact O-N 3.25Å; N303-A306 VanDerWaalsContact O-N 3.13Å |
| 304 | P | 83.9 | Confident | 76.7 | Confident | 117 Ų | 117 | 94.2 Ų | 94.2 | 76% | 0.76 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 114.9 | 177.5 | 27.6 | -34.1 | 0 | 0 | 0 | 109.7 | Q302 | Q302-P304 VanDerWaalsContact C-CD 3.4Š|
| 305 | G | 79.8 | Confident | 73.9 | Confident | 48 Ų | 48 | 93.1 Ų | 93.1 | 50% | 0.495 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 103.8 | -8.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | N303 D307 T308 | N303-G305 PolarHBondContact O-N 3.21Å; G305-D307 PolarHBondContact O-N 3.32Å; G305-T308 WeakPolarHBondContact O-CG2 3.39Å; G305-T308 PolarHBondContact O-N 3.16Å; G305-T308 PolarHBondContact O-OG1 3.35Å |
| 306 | A | 72.3 | Confident | 71.5 | Confident | 60 Ų | 60 | 99.7 Ų | 99.7 | 50% | 0.496 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.8 | -11.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | W299 N303 T308 | W299-A306 HydrophobicContact CH2-CB 3.69Å; W299-A306 HydrophobicContact CZ2-CB 3.81Å; N303-A306 HydrophobicContact CB-CB 3.8Å; N303-A306 PolarHBondContact O-N 3.25Å; N303-A306 VanDerWaalsContact O-N 3.13Å; A306-T308 VanDerWaalsContact C-N 3.31Å |
| 307 | D | 62.2 | Low | 68.7 | Low | 83 Ų | 83 | 104.1 Ų | 104.1 | 44% | 0.444 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.3 | 8.1 | -179 | -52.5 | 10.2 | 0 | 0 | 0 | 112.1 | W299 G305 S309 | W299-D307 WeakPolarHBondContact CH2-OD1 3.46Å; W299-D307 WeakPolarHBondContact CZ3-OD1 3.49Å; G305-D307 PolarHBondContact O-N 3.32Å; D307-S309 PolarHBondContact O-N 3.25Å |
| 308 | T | 57.8 | Low | 66.2 | Low | 118 Ų | 118 | 104.1 Ų | 104.1 | 72% | 0.724 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 66.2 | -175.8 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | G305 A306 | G305-T308 WeakPolarHBondContact O-CG2 3.39Å; G305-T308 PolarHBondContact O-N 3.16Å; G305-T308 PolarHBondContact O-OG1 3.35Å; A306-T308 VanDerWaalsContact C-N 3.31Å |
| 309 | S | 53.4 | Low | 63.6 | Low | 120 Ų | 120 | 107.7 Ų | 107.7 | 84% | 0.839 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | 3.2 | 160.3 | -50.6 | 0 | 0 | 0 | 0 | 112.1 | D307 | D307-S309 PolarHBondContact O-N 3.25Š|
| 310 | A | 52.8 | Low | 61.2 | Low | 75 Ų | 75 | 110.4 Ų | 110.4 | 62% | 0.62 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -94.4 | 118.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | T312 | A310-T312 PolarHBondContact O-N 2.86Å; A310-T312 VanDerWaalsContact O-N 3.07Å |
| 311 | P | 49.4 | Very low | 58.4 | Low | 131 Ų | 131 | 112 Ų | 112 | 85% | 0.851 | 72% | 0.722 | S | S | * | * | | | trans | -82.2 | 82.7 | 177.1 | 33.5 | -34 | 0 | 0 | 0 | 110.8 | | |
| 312 | T | 51.3 | Low | 55.6 | Low | 133 Ų | 133 | 106.2 Ų | 106.2 | 82% | 0.816 | 71% | 0.714 | S | S | * | * | | | trans | -137.2 | 112.8 | 164.4 | -61.6 | 0 | 0 | 0 | 0 | 108.5 | A310 | A310-T312 PolarHBondContact O-N 2.86Å; A310-T312 VanDerWaalsContact O-N 3.07Å |
| 313 | G | 48.3 | Very low | 53.3 | Low | 77 Ų | 77 | 109.7 Ų | 109.7 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | | | trans | -83.6 | 167.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 314 | G | 42.6 | Very low | 50.6 | Low | 89 Ų | 89 | 110.1 Ų | 110.1 | 92% | 0.918 | 75% | 0.754 | S | S | * | * | | | trans | 99.8 | 121.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 315 | G | 39.6 | Very low | 48.5 | Very low | 76 Ų | 76 | 109.7 Ų | 109.7 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | | | trans | 137.2 | 55.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | N317 | G315-N317 PolarHBondContact O-N 3.17Š|
| 316 | Q | 47.1 | Very low | 46.7 | Very low | 186 Ų | 186 | 115.1 Ų | 115.1 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | | | trans | -12.2 | 119.8 | 157.1 | -61.9 | 160.8 | 44.8 | 0 | 0 | 116.9 | | |
| 317 | N | 39.1 | Very low | 45.4 | Very low | 152 Ų | 152 | 117.8 Ų | 117.8 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | | -167.7 | 100.5 | 117 | -108.4 | -50.1 | 0 | 0 | 0 | 110.9 | G315 | G315-N317 PolarHBondContact O-N 3.17Š|
| 318 | G | 44.7 | Very low | 44.9 | Very low | 80 Ų | 80 | 119 Ų | 119 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | -86.6 | 120.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 319 | Q | 43.1 | Very low | 43.9 | Very low | 185 Ų | 185 | 121.1 Ų | 121.1 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | | | trans | -131.2 | 102.9 | 165.2 | -160.3 | 152.5 | 96.8 | 0 | 0 | 109.2 | | |
| 320 | S | 45 | Very low | 43.3 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | -70.4 | 128.2 | 172.5 | 50.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 321 | N | 36.6 | Very low | 42.7 | Very low | 163 Ų | 163 | 122.8 Ų | 122.8 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | | | trans | 173.4 | 147.5 | 142.8 | -88 | -0.3 | 0 | 0 | 0 | 107.1 | | |
| 322 | G | 36.2 | Very low | 42.3 | Very low | 61 Ų | 61 | 121.6 Ų | 121.6 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | | | cis | 117.1 | 75.1 | 11.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 323 | L | 42.8 | Very low | 42.7 | Very low | 184 Ų | 184 | 120.9 Ų | 120.9 | 96% | 0.963 | 80% | 0.803 | S | S | * | * | | | trans | 63.6 | 151.8 | 164.1 | -58.3 | 163.2 | 0 | 0 | 0 | 118.1 | | |
| 324 | G | 34.8 | Very low | 43 | Very low | 70 Ų | 70 | 123 Ų | 123 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | | | trans | 100.1 | 112.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 325 | S | 40.2 | Very low | 43.2 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | | 74.2 | 107.1 | 56.2 | -160.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 326 | L | 41.4 | Very low | 43.3 | Very low | 163 Ų | 163 | 129.5 Ų | 129.5 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | 55.6 | 114.8 | 155.1 | -54.1 | 175.6 | 0 | 0 | 0 | 119.7 | | |
| 327 | S | 44.2 | Very low | 43.1 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | -68 | 156.8 | 151.8 | -41.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 328 | P | 52.5 | Low | 43.2 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | | -151.7 | 178.6 | 86.3 | 41.6 | -24.2 | 0 | 0 | 0 | 116 | | |
| 329 | L | 37 | Very low | 43.2 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | 73.8 | 111 | 167 | -52.6 | 169.6 | 0 | 0 | 0 | 115 | | |
| 330 | S | 40.7 | Very low | 43.4 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | | 90.4 | 100.9 | 65.5 | 178.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 331 | S | 39.8 | Very low | 43.7 | Very low | 124 Ų | 124 | 133 Ų | 133 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | | | trans | -147.9 | 125 | 152.6 | -85 | 0 | 0 | 0 | 0 | 109.7 | | |
| 332 | S | 41.8 | Very low | 44 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 152.2 | 176.6 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 333 | P | 59.9 | Low | 44.1 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 143.8 | 166.4 | 31.2 | -33.8 | 0 | 0 | 0 | 110.8 | | |
| 334 | P | 53.7 | Low | 44.1 | Very low | 123 Ų | 123 | 134 Ų | 134 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 142.4 | 177.5 | 30.1 | -34.1 | 0 | 0 | 0 | 111.8 | | |
| 335 | M | 47.1 | Very low | 44.9 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 132.7 | 169.5 | -67.5 | -143.6 | -54.9 | 0 | 0 | 111.2 | H337 | M335-H337 PolarHBondContact O-N 3.26Š|
| 336 | S | 41.8 | Very low | 45.1 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73 | 118.9 | 171 | -42.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 337 | H | 42 | Very low | 45.4 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 129.5 | 176.1 | -177.8 | -93.7 | 0 | 0 | 0 | 111 | M335 S339 | M335-H337 PolarHBondContact O-N 3.26Å; H337-S339 PolarHBondContact O-N 3.25Å |
| 338 | L | 41.9 | Very low | 45.1 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 121.5 | 170 | -87.1 | 69.4 | 0 | 0 | 0 | 109.5 | | |
| 339 | S | 44.2 | Very low | 45 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -99 | 121.5 | 162.2 | -70.7 | 0 | 0 | 0 | 0 | 109.8 | H337 | H337-S339 PolarHBondContact O-N 3.25Š|
| 340 | M | 48.9 | Very low | 45.1 | Very low | 175 Ų | 175 | 131.7 Ų | 131.7 | 86% | 0.862 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 132.1 | 169 | -70.9 | -78.7 | -178.2 | 0 | 0 | 109.7 | | |
| 341 | H | 51.1 | Low | 45 | Very low | 184 Ų | 184 | 130.1 Ų | 130.1 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | | | trans | -138.5 | 124.9 | 154.3 | -166.2 | -92.6 | 0 | 0 | 0 | 111.2 | | |
| 342 | T | 42 | Very low | 45.3 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | -89.2 | 133.9 | -178.4 | -48.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 343 | G | 38.1 | Very low | 45.5 | Very low | 67 Ų | 67 | 134 Ų | 134 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | | | trans | 157.7 | 101.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 344 | Y | 42.5 | Very low | 44.6 | Very low | 231 Ų | 231 | 134.4 Ų | 134.4 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | | | trans | -87.6 | 147.3 | 149.5 | -77.3 | -84.1 | 0 | 0 | 0 | 107.4 | | |
| 345 | P | 51.8 | Low | 43.9 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | | | | -122.3 | 166.4 | 58.8 | 23.2 | -2.6 | 0 | 0 | 0 | 112.5 | | |
| 346 | G | 44.3 | Very low | 43.7 | Very low | 53 Ų | 53 | 131.9 Ų | 131.9 | 55% | 0.546 | 81% | 0.808 | S | S | . | * | | | cis | 104.8 | 88 | 24.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 347 | H | 48.5 | Very low | 43.5 | Very low | 199 Ų | 199 | 134.6 Ų | 134.6 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | | | trans | 176.4 | 138.2 | 157.2 | -94.4 | -61.8 | 0 | 0 | 0 | 111.9 | | |
| 348 | G | 37.5 | Very low | 43.8 | Very low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | 79.5 | 129.2 | 143.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 349 | P | 51.3 | Low | 44.7 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | | | trans | -92.2 | 145.3 | 172.7 | 35.9 | -32.2 | 0 | 0 | 0 | 112.9 | | |
| 350 | G | 38.2 | Very low | 44.5 | Very low | 83 Ų | 83 | 137.1 Ų | 137.1 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | | | trans | 155.5 | 128.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 351 | G | 37.9 | Very low | 44.6 | Very low | 73 Ų | 73 | 136.5 Ų | 136.5 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | | | trans | 115.5 | 116.1 | 151 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 352 | L | 46.5 | Very low | 44.6 | Very low | 178 Ų | 178 | 133.1 Ų | 133.1 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | | | trans | 71.2 | 79.9 | 145.3 | -47.5 | -176.3 | 0 | 0 | 0 | 118.5 | | |
| 353 | V | 47.2 | Very low | 44.6 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | | | trans | -78.7 | 126.8 | 146.9 | -72.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 354 | C | 40.4 | Very low | 45 | Very low | 125 Ų | 125 | 137 Ų | 137 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | | | trans | -90 | 117 | 172.8 | -169.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 355 | T | 39.1 | Very low | 45.2 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | | | trans | -102 | 98.7 | -173.9 | 49.3 | 0 | 0 | 0 | 0 | 112 | Q357 | T355-Q357 VanDerWaalsContact C-N 3.31Å; T355-Q357 PolarHBondContact O-N 3.25Å |
| 356 | T | 43 | Very low | 45.3 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | -79.8 | 79.2 | 174.2 | -40 | 0 | 0 | 0 | 0 | 111.8 | | |
| 357 | Q | 37.5 | Very low | 45.2 | Very low | 174 Ų | 174 | 135.1 Ų | 135.1 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | | | trans | 29.6 | 103.7 | 139.7 | -161.9 | 170.1 | 14.7 | 0 | 0 | 118.7 | T355 | T355-Q357 VanDerWaalsContact C-N 3.31Å; T355-Q357 PolarHBondContact O-N 3.25Å |
| 358 | L | 48.4 | Very low | 44.8 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | | | trans | -107.4 | 130.5 | 154.7 | -81 | 165.9 | 0 | 0 | 0 | 108.8 | F360 | L358-F360 PolarHBondContact O-N 2.95Š|
| 359 | P | 59.6 | Low | 45.6 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | trans | -82.2 | 105.4 | 176.9 | 31.1 | -32 | 0 | 0 | 0 | 111.5 | | |
| 360 | F | 39.9 | Very low | 45.2 | Very low | 199 Ų | 199 | 135.2 Ų | 135.2 | 87% | 0.873 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -90 | 134 | 158.1 | -101.8 | -93.4 | 0 | 0 | 0 | 109.4 | L358 | L358-F360 PolarHBondContact O-N 2.95Š|
| 361 | L | 51.2 | Low | 45.9 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 145.5 | 168.6 | -73.2 | 171.7 | 0 | 0 | 0 | 110.5 | | |
| 362 | P | 52.1 | Low | 46.3 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 134.3 | -174.2 | 35.5 | -33.7 | 0 | 0 | 0 | 115.1 | | |
| 363 | S | 41.1 | Very low | 46 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | | | trans | 53.3 | 131.2 | 133.8 | -80.1 | 0 | 0 | 0 | 0 | 125.6 | | |
| 364 | H | 48 | Very low | 45.8 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | 73.6 | 103.4 | 139.3 | -74.8 | -67.8 | 0 | 0 | 0 | 123.1 | | |
| 365 | A | 45.2 | Very low | 45.9 | Very low | 95 Ų | 95 | 140 Ų | 140 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | | -177.3 | 99.3 | 128.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 366 | V | 53.8 | Low | 46.4 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | | | | 33.8 | 100.8 | 92.9 | -160.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 367 | L | 42.7 | Very low | 46.7 | Very low | 157 Ų | 157 | 145 Ų | 145 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | | 176 | 126.8 | 122.1 | -94.5 | 167.8 | 0 | 0 | 0 | 113.8 | | |
| 368 | S | 39.4 | Very low | 47.1 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | | | trans | 70.7 | 138.4 | 152 | -61.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 369 | P | 54.5 | Low | 47.1 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | | | trans | -93.5 | 153.9 | 176.4 | 37.9 | -33.9 | 0 | 0 | 0 | 112.5 | | |
| 370 | F | 44.1 | Very low | 47 | Very low | 192 Ų | 192 | 136.7 Ų | 136.7 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | | | trans | -121.1 | 99.7 | 164.2 | -145.4 | -92.2 | 0 | 0 | 0 | 110.4 | L372 | F370-L372 HydrophobicContact CE1-CB 4.22Š|
| 371 | M | 52.3 | Low | 47.4 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | | | trans | -84.7 | 123.4 | 157 | -65.6 | -176.1 | 78.2 | 0 | 0 | 107.8 | | |
| 372 | L | 47.1 | Very low | 47.5 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | | | trans | -177 | 145.4 | 143.7 | -124.4 | 66.3 | 0 | 0 | 0 | 109 | F370 | F370-L372 HydrophobicContact CE1-CB 4.22Š|
| 373 | G | 40.3 | Very low | 47.7 | Very low | 69 Ų | 69 | 138 Ų | 138 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | 142.8 | 23.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 118 | Q375 | G373-Q375 PolarHBondContact O-N 2.82Å; G373-Q375 VanDerWaalsContact O-N 3.08Å |
| 374 | S | 41.5 | Very low | 48.2 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -70.1 | 99 | 166.9 | 52.1 | 0 | 0 | 0 | 0 | 110.2 | T376 | S374-T376 PolarHBondContact O-N 3.45Å; S374-T376 VanDerWaalsContact O-N 3.16Å |
| 375 | Q | 43.1 | Very low | 48.5 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | -66.8 | 109.7 | 172.7 | -78.9 | -76.7 | 64.7 | 0 | 0 | 110.3 | G373 | G373-Q375 PolarHBondContact O-N 2.82Å; G373-Q375 VanDerWaalsContact O-N 3.08Å |
| 376 | T | 49.4 | Very low | 48.8 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 130.2 | 172.8 | 45.5 | 0 | 0 | 0 | 0 | 110 | S374 | S374-T376 PolarHBondContact O-N 3.45Å; S374-T376 VanDerWaalsContact O-N 3.16Å |
| 377 | Y | 49.8 | Very low | 48.9 | Very low | 235 Ų | 235 | 146.1 Ų | 146.1 | 92% | 0.922 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 131.9 | 171.5 | -87.5 | -104.8 | 0 | 0 | 0 | 109.8 | | |
| 378 | G | 46.1 | Very low | 49.2 | Very low | 79 Ų | 79 | 145.6 Ų | 145.6 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 136.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 379 | A | 48.1 | Very low | 49.7 | Very low | 97 Ų | 97 | 147.7 Ų | 147.7 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 144.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 380 | P | 56.5 | Low | 49.4 | Very low | 101 Ų | 101 | 149.3 Ų | 149.3 | 66% | 0.656 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 137 | 175.8 | 30.9 | -33.6 | 0 | 0 | 0 | 111.3 | F382 | P380-F382 HydrophobicContact CG-CE2 4.34Å; P380-F382 PolarHBondContact O-N 2.97Å |
| 381 | A | 49.1 | Very low | 49.7 | Very low | 89 Ų | 89 | 146.8 Ų | 146.8 | 74% | 0.736 | 83% | 0.83 | S | S | * | * | | | trans | -75 | 115.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y383 | A381-Y383 PolarHBondContact O-N 2.81Š|
| 382 | F | 53.8 | Low | 49.6 | Very low | 193 Ų | 193 | 145.4 Ų | 145.4 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | | | trans | -78.1 | 114.9 | 167.2 | -75 | -86.1 | 0 | 0 | 0 | 109.3 | P380 T384 | P380-F382 HydrophobicContact CG-CE2 4.34Å; P380-F382 PolarHBondContact O-N 2.97Å; F382-T384 PolarHBondContact O-N 3.32Å |
| 383 | Y | 56.5 | Low | 49.7 | Very low | 219 Ų | 219 | 144.2 Ų | 144.2 | 86% | 0.859 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 127.4 | 167.8 | -91.6 | -97 | 0 | 0 | 0 | 109.8 | A381 | A381-Y383 PolarHBondContact O-N 2.81Š|
| 384 | T | 51.9 | Low | 50.4 | Low | 127 Ų | 127 | 149.6 Ų | 149.6 | 78% | 0.779 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 126.4 | 164 | 164.3 | 0 | 0 | 0 | 0 | 108.9 | F382 | F382-T384 PolarHBondContact O-N 3.32Š|
| 385 | S | 54.3 | Low | 51.1 | Low | 120 Ų | 120 | 152.6 Ų | 152.6 | 84% | 0.839 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -96 | 123.7 | 169.8 | -72.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 386 | H | 50.3 | Low | 51.8 | Low | 179 Ų | 179 | 150.3 Ų | 150.3 | 83% | 0.829 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 117.1 | 177.4 | -160.5 | -56.4 | 0 | 0 | 0 | 109 | | |
| 387 | L | 55.4 | Low | 52 | Low | 239 Ų | 239 | 152.5 Ų | 152.5 | 100% | 1.251 | 85% | 0.848 | S | S | * | * | | | trans | -166.3 | 0 | 161.4 | -108.4 | 153.8 | 0 | 0 | 0 | 109.6 | | |