| 1 | M | 44.8 | Very low | 46.8 | Very low | 250 Ų | 250 | 166 Ų | 166 | 100% | 1.232 | 87% | 0.873 | S | S | * | * | | | | 0 | 92.4 | 0 | -60.2 | -83.8 | -89.2 | 0 | 0 | 107.6 | | |
| 2 | G | 41.9 | Very low | 45.9 | Very low | 77 Ų | 77 | 165.2 Ų | 165.2 | 79% | 0.794 | 87% | 0.87 | S | S | * | * | | | cis | 112.4 | 70.1 | 17.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 3 | Q | 52.7 | Low | 45.8 | Very low | 201 Ų | 201 | 163.8 Ų | 163.8 | 94% | 0.939 | 87% | 0.872 | S | S | * | * | | | trans | -145.1 | 108.6 | 154.7 | -76.1 | -153.5 | 8.7 | 0 | 0 | 111.5 | | |
| 4 | K | 53.1 | Low | 45.5 | Very low | 208 Ų | 208 | 161.9 Ų | 161.9 | 90% | 0.904 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 147.5 | 168.9 | -75.7 | 177 | 172.8 | 178.1 | 0 | 109.6 | | |
| 5 | R | 44.3 | Very low | 45.3 | Very low | 245 Ų | 245 | 163.4 Ų | 163.4 | 93% | 0.925 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 150.3 | 166.2 | -71.7 | 178.8 | 174.9 | 153.7 | -1.1 | 111.6 | | |
| 6 | P | 58.6 | Low | 45.1 | Very low | 127 Ų | 127 | 164 Ų | 164 | 83% | 0.825 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 137.8 | 158.5 | 31 | -20.3 | 0 | 0 | 0 | 112.1 | | |
| 7 | S | 40.5 | Very low | 44.9 | Very low | 98 Ų | 98 | 162.1 Ų | 162.1 | 69% | 0.685 | 86% | 0.858 | S | S | * | * | | | trans | -112.3 | 137.8 | 160.4 | 167.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 8 | P | 55.3 | Low | 44.7 | Very low | 126 Ų | 126 | 158.9 Ų | 158.9 | 82% | 0.818 | 86% | 0.859 | S | S | * | * | | | trans | -110.1 | 114.7 | 167.4 | 31.2 | -17.8 | 0 | 0 | 0 | 111.1 | | |
| 9 | Y | 38.5 | Very low | 44.7 | Very low | 220 Ų | 220 | 161.4 Ų | 161.4 | 86% | 0.863 | 86% | 0.861 | S | S | * | * | | | trans | -105.6 | 119.2 | 150.9 | -94.2 | -85.5 | 0 | 0 | 0 | 107.1 | | |
| 10 | L | 44.5 | Very low | 44.4 | Very low | 171 Ų | 171 | 165.9 Ų | 165.9 | 90% | 0.895 | 87% | 0.865 | S | S | * | * | | | trans | -165.4 | 145.7 | 160.5 | -80.1 | 179.9 | 0 | 0 | 0 | 106.1 | | |
| 11 | S | 41.1 | Very low | 44.1 | Very low | 103 Ų | 103 | 163 Ų | 163 | 72% | 0.72 | 86% | 0.859 | S | S | * | * | | | cis | -172.5 | 151.8 | -17.9 | 43.2 | 0 | 0 | 0 | 0 | 106.7 | | |
| 12 | N | 36.3 | Very low | 43.8 | Very low | 156 Ų | 156 | 162 Ų | 162 | 83% | 0.834 | 84% | 0.842 | S | S | * | * | | | trans | -52.8 | 155 | 179 | -61.2 | -52.5 | 0 | 0 | 0 | 115.2 | | |
| 13 | T | 43.9 | Very low | 43.6 | Very low | 148 Ų | 148 | 170.1 Ų | 170.1 | 91% | 0.908 | 85% | 0.848 | S | S | * | * | | | trans | -155.3 | 130.5 | 137.5 | 26 | 0 | 0 | 0 | 0 | 111.3 | | |
| 14 | D | 41.7 | Very low | 42.9 | Very low | 136 Ų | 136 | 166.9 Ų | 166.9 | 73% | 0.727 | 84% | 0.842 | S | S | * | * | | | trans | -59.4 | 155.3 | 174.7 | -76.3 | -65.7 | 0 | 0 | 0 | 114.3 | | |
| 15 | L | 42.7 | Very low | 42.5 | Very low | 185 Ų | 185 | 163.4 Ų | 163.4 | 97% | 0.969 | 84% | 0.838 | S | S | * | * | | | | -161.7 | 133.4 | 129.4 | -103.7 | 136.3 | 0 | 0 | 0 | 112.1 | | |
| 16 | K | 41.7 | Very low | 42.2 | Very low | 173 Ų | 173 | 160.8 Ų | 160.8 | 75% | 0.752 | 83% | 0.834 | S | S | * | * | | | trans | -109.3 | 146.9 | -161.5 | -115.2 | 175.3 | -175.5 | 172.2 | 0 | 109.1 | | |
| 17 | T | 42.2 | Very low | 41.3 | Very low | 131 Ų | 131 | 163 Ų | 163 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | | | trans | 63.4 | 116.9 | 150.3 | 14.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 18 | A | 41.6 | Very low | 41.1 | Very low | 105 Ų | 105 | 163.2 Ų | 163.2 | 87% | 0.868 | 84% | 0.835 | S | S | * | * | | | trans | -155.3 | 109.9 | 139.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 19 | K | 43.6 | Very low | 40.2 | Very low | 206 Ų | 206 | 163.7 Ų | 163.7 | 90% | 0.896 | 83% | 0.831 | S | S | * | * | | | trans | -75.5 | 136.2 | 165.6 | -71.5 | 175.1 | 173.2 | 176.1 | 0 | 109.1 | | |
| 20 | R | 40.3 | Very low | 40.2 | Very low | 252 Ų | 252 | 162.7 Ų | 162.7 | 95% | 0.951 | 83% | 0.831 | S | S | * | * | | | trans | -151.6 | 136 | 151.7 | -137.3 | 174 | 176.9 | 179.2 | -1.3 | 111.7 | | |
| 21 | S | 37.7 | Very low | 39.8 | Very low | 105 Ų | 105 | 161.8 Ų | 161.8 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | | | trans | -114.5 | 161.1 | -172.4 | -175 | 0 | 0 | 0 | 0 | 110.7 | | |
| 22 | R | 38.1 | Very low | 39.7 | Very low | 230 Ų | 230 | 163.4 Ų | 163.4 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | | | trans | 79.2 | 119.1 | 163.9 | -61.4 | 178.8 | 175.4 | 168.7 | -2.7 | 118 | | |
| 23 | R | 38 | Very low | 39.7 | Very low | 246 Ų | 246 | 162.2 Ų | 162.2 | 93% | 0.928 | 82% | 0.824 | S | S | * | * | | | | -169.4 | 136 | 91.7 | -98.3 | 177 | 177.8 | -177.9 | -1.2 | 111.7 | | |
| 24 | V | 38 | Very low | 39.5 | Very low | 133 Ų | 133 | 161.1 Ų | 161.1 | 81% | 0.806 | 82% | 0.819 | S | S | * | * | | | trans | -84.9 | 136.3 | 171.3 | 171 | 0 | 0 | 0 | 0 | 108.3 | | |
| 25 | T | 43.3 | Very low | 39.2 | Very low | 135 Ų | 135 | 161.2 Ų | 161.2 | 83% | 0.828 | 83% | 0.825 | S | S | * | * | | | trans | -130.5 | 114.1 | 161.4 | 37.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 26 | K | 40 | Very low | 38.8 | Very low | 191 Ų | 191 | 155.8 Ų | 155.8 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | | | trans | -73.6 | 140.2 | 163.8 | -72.1 | 178.2 | 173.9 | -179.6 | 0 | 108.5 | | |
| 27 | L | 38.1 | Very low | 38.5 | Very low | 173 Ų | 173 | 154.2 Ų | 154.2 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | | | trans | -133.1 | 121.3 | 158.7 | -132.3 | 125.2 | 0 | 0 | 0 | 107.8 | | |
| 28 | T | 36.8 | Very low | 38.1 | Very low | 102 Ų | 102 | 154.8 Ų | 154.8 | 63% | 0.626 | 82% | 0.816 | S | S | * | * | | | trans | -88.9 | 168.2 | -178.8 | 43.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 29 | D | 36.2 | Very low | 37.8 | Very low | 136 Ų | 136 | 159 Ų | 159 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | | | trans | 78.3 | 112.5 | 156.3 | -49.5 | -41.4 | 0 | 0 | 0 | 117.5 | | |
| 30 | K | 39.5 | Very low | 37.4 | Very low | 199 Ų | 199 | 157.8 Ų | 157.8 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | | | | -172.8 | 125.8 | 88.3 | -87.5 | -178.6 | -169.5 | -166 | 0 | 111.4 | | |
| 31 | I | 36.1 | Very low | 37.1 | Very low | 152 Ų | 152 | 150 Ų | 150 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | | | trans | -69.8 | 132.5 | 168.6 | -65.7 | 163.4 | 0 | 0 | 0 | 108.5 | | |
| 32 | V | 38.4 | Very low | 37.1 | Very low | 137 Ų | 137 | 152.2 Ų | 152.2 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | | | trans | -132.5 | 115.3 | 160 | 178.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 33 | N | 35.3 | Very low | 36.8 | Very low | 132 Ų | 132 | 152 Ų | 152 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 147.4 | 175.7 | -75.2 | -30.5 | 0 | 0 | 0 | 111.6 | | |
| 34 | P | 39.5 | Very low | 36.9 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 128.1 | 169.6 | 31.4 | -29.8 | 0 | 0 | 0 | 110.4 | G36 | P34-G36 PolarHBondContact O-N 3.32Š|
| 35 | V | 35.8 | Very low | 36.7 | Very low | 138 Ų | 138 | 150 Ų | 150 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 120.8 | 169.6 | 172.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 36 | G | 33.7 | Very low | 36.3 | Very low | 71 Ų | 71 | 148.7 Ų | 148.7 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 138.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P34 | P34-G36 PolarHBondContact O-N 3.32Š|
| 37 | V | 36.9 | Very low | 36 | Very low | 140 Ų | 140 | 146.6 Ų | 146.6 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | | | trans | -125.3 | 96.9 | 161.9 | -161.8 | 0 | 0 | 0 | 0 | 106.4 | | |
| 38 | N | 33.9 | Very low | 35.9 | Very low | 143 Ų | 143 | 145.5 Ų | 145.5 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | | | trans | -82.6 | 136.2 | 161.7 | -122 | -20.3 | 0 | 0 | 0 | 106.2 | | |
| 39 | F | 35.2 | Very low | 35.8 | Very low | 194 Ų | 194 | 145.6 Ų | 145.6 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | | | trans | -172.8 | 117.3 | 134.6 | -95.5 | -64 | 0 | 0 | 0 | 111.8 | | |
| 40 | K | 34.1 | Very low | 35.4 | Very low | 181 Ų | 181 | 150.1 Ų | 150.1 | 79% | 0.787 | 80% | 0.802 | S | S | * | * | | | trans | 61.4 | 111.4 | 143.3 | -91.9 | 173.9 | 169.4 | 178.1 | 0 | 120.4 | | |
| 41 | A | 34.1 | Very low | 35.1 | Very low | 87 Ų | 87 | 146.1 Ų | 146.1 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | | | trans | -69 | 131.5 | 150.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 42 | N | 37.4 | Very low | 34.8 | Very low | 152 Ų | 152 | 145 Ų | 145 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | trans | -113.6 | 111.9 | 157 | -84 | -13.7 | 0 | 0 | 0 | 107.2 | | |
| 43 | Y | 33.4 | Very low | 34.7 | Very low | 225 Ų | 225 | 146.7 Ų | 146.7 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | | | trans | -73.1 | 123.5 | 159.1 | -97.4 | -101.4 | 0 | 0 | 0 | 107.5 | | |
| 44 | E | 39.2 | Very low | 34.7 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | | | trans | -129.8 | 129.7 | 155.3 | -95.8 | -174.9 | 167.5 | 0 | 0 | 109.7 | | |
| 45 | N | 33.6 | Very low | 34.6 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | | | trans | -59.5 | 133.6 | 178.6 | -76.5 | -34 | 0 | 0 | 0 | 111.6 | | |
| 46 | S | 35.9 | Very low | 34.5 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | -135.4 | 93.6 | 149.4 | 52.1 | 0 | 0 | 0 | 0 | 108.6 | I48 | S46-I48 PolarHBondContact O-N 3.47Š|
| 47 | N | 32.9 | Very low | 34.6 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | | | trans | -52.9 | 121 | 158.6 | -74 | -32.4 | 0 | 0 | 0 | 109 | | |
| 48 | I | 36.3 | Very low | 34.6 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 77% | 0.774 | 81% | 0.806 | S | S | * | * | | | trans | -138.7 | 102.4 | 145.4 | -72.8 | 104.1 | 0 | 0 | 0 | 108.1 | S46 | S46-I48 PolarHBondContact O-N 3.47Š|
| 49 | S | 34 | Very low | 34.6 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | 12.5 | 124 | 143.4 | -47.6 | 0 | 0 | 0 | 0 | 120 | | |
| 50 | Y | 28.7 | Very low | 34.9 | Very low | 230 Ų | 230 | 139.6 Ų | 139.6 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | | | trans | -67.9 | 126.6 | 155 | -66.1 | -92.5 | 0 | 0 | 0 | 109.9 | | |
| 51 | S | 32.6 | Very low | 34.8 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -115.8 | 101.5 | 159.8 | -82.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 52 | T | 30.1 | Very low | 35.1 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | | | trans | -68 | 115.7 | 159.9 | 42.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 53 | L | 36.2 | Very low | 35.4 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | | | trans | -133.6 | 114.1 | 157.4 | -85.2 | 167 | 0 | 0 | 0 | 108.5 | | |
| 54 | S | 35.6 | Very low | 35.4 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 164.1 | 179.3 | -64.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 55 | P | 37.3 | Very low | 35.5 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 133.8 | -160.6 | 33.8 | -30.4 | 0 | 0 | 0 | 112.5 | | |
| 56 | G | 34.2 | Very low | 35.9 | Very low | 81 Ų | 81 | 134.6 Ų | 134.6 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 117.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 57 | V | 35.1 | Very low | 35.9 | Very low | 126 Ų | 126 | 134 Ų | 134 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 130.5 | -179.6 | 179.5 | 0 | 0 | 0 | 0 | 111 | | |
| 58 | T | 36.8 | Very low | 36.2 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | | | trans | -166.5 | 109.2 | 142.3 | 32.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 59 | P | 34.3 | Very low | 36.2 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -90 | 103.1 | 159.3 | 31.3 | -22 | 0 | 0 | 0 | 107.9 | N61 | P59-N61 PolarHBondContact O-N 3.4Š|
| 60 | S | 40.7 | Very low | 36.1 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | trans | -71.7 | 114.8 | 166.6 | 50.3 | 0 | 0 | 0 | 0 | 109 | L62 | S60-L62 PolarHBondContact O-N 3.48Š|
| 61 | N | 33 | Very low | 36.4 | Very low | 159 Ų | 159 | 128 Ų | 128 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | trans | -38.4 | 118.4 | 170.1 | -64.2 | -65.5 | 0 | 0 | 0 | 113.2 | P59 | P59-N61 PolarHBondContact O-N 3.4Š|
| 62 | L | 39.6 | Very low | 36.4 | Very low | 154 Ų | 154 | 129 Ų | 129 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | | | trans | -129.6 | 118.1 | 158.6 | -86.1 | 166.8 | 0 | 0 | 0 | 107.9 | S60 L64 | S60-L62 PolarHBondContact O-N 3.48Å; L62-L64 PolarHBondContact O-N 3.05Å |
| 63 | P | 43.7 | Very low | 36.7 | Very low | 125 Ų | 125 | 128 Ų | 128 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | -71.4 | 117.3 | -177.8 | 27.7 | -30.5 | 0 | 0 | 0 | 110 | | |
| 64 | L | 34.6 | Very low | 36.8 | Very low | 141 Ų | 141 | 125.5 Ų | 125.5 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | | | trans | -64.9 | 136.9 | 160.9 | -91.2 | 96.2 | 0 | 0 | 0 | 109.9 | L62 | L62-L64 PolarHBondContact O-N 3.05Š|
| 65 | F | 41.4 | Very low | 36.6 | Very low | 173 Ų | 173 | 127.7 Ų | 127.7 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | | | trans | 74 | 115.8 | 166.7 | -60.1 | -73.1 | 0 | 0 | 0 | 118.7 | S67 | F65-S67 PolarHBondContact O-N 3.24Š|
| 66 | P | 40.1 | Very low | 36.5 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -74.3 | 118.3 | 146.8 | 30.6 | -24.9 | 0 | 0 | 0 | 108.1 | | |
| 67 | S | 36.6 | Very low | 36.5 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | | | trans | -47.6 | 146.4 | 166.4 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | F65 T69 | F65-S67 PolarHBondContact O-N 3.24Å; S67-T69 PolarHBondContact O-N 3.37Å |
| 68 | P | 38.8 | Very low | 36.3 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | -66.9 | 105 | 173.2 | 27.3 | -30.7 | 0 | 0 | 0 | 108.7 | S70 | P68-S70 PolarHBondContact O-N 3.3Š|
| 69 | T | 36.3 | Very low | 36.2 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | trans | -60.6 | 118.3 | 172.1 | -44.3 | 0 | 0 | 0 | 0 | 108.4 | S67 I71 | S67-T69 PolarHBondContact O-N 3.37Å; T69-I71 WeakPolarHBondContact O-CG1 3.27Å; T69-I71 PolarHBondContact O-N 2.93Å |
| 70 | S | 31.4 | Very low | 36 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | | | trans | -50.7 | 104 | 162.3 | 157.7 | 0 | 0 | 0 | 0 | 109.7 | P68 | P68-S70 PolarHBondContact O-N 3.3Š|
| 71 | I | 35.4 | Very low | 35.7 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 80% | 0.795 | 78% | 0.78 | S | S | * | * | | | trans | -96.4 | 105.2 | 171 | -49.6 | -179.4 | 0 | 0 | 0 | 107.6 | T69 | T69-I71 WeakPolarHBondContact O-CG1 3.27Å; T69-I71 PolarHBondContact O-N 2.93Å |
| 72 | N | 33.1 | Very low | 35.5 | Very low | 134 Ų | 134 | 130 Ų | 130 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 141 | 168.4 | -74.5 | -40.5 | 0 | 0 | 0 | 111.2 | | |
| 73 | S | 36 | Very low | 35.2 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 127.3 | 170.3 | -52.9 | 0 | 0 | 0 | 0 | 110.9 | N75 | S73-N75 PolarHBondContact O-N 3.23Š|
| 74 | P | 38.1 | Very low | 34.7 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 121.5 | 172.4 | 27.9 | -29.4 | 0 | 0 | 0 | 109.4 | L76 | P74-L76 PolarHBondContact O-N 3.11Š|
| 75 | N | 31.9 | Very low | 34.4 | Very low | 158 Ų | 158 | 133.3 Ų | 133.3 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | | | trans | -47 | 113.1 | 164.7 | -71.1 | -55.1 | 0 | 0 | 0 | 110.5 | S73 S77 | S73-N75 PolarHBondContact O-N 3.23Å; N75-S77 PolarHBondContact O-N 3.07Å |
| 76 | L | 34.8 | Very low | 34 | Very low | 175 Ų | 175 | 136.8 Ų | 136.8 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | | | trans | -87.6 | 96.1 | 158.6 | -76.3 | 172.7 | 0 | 0 | 0 | 107.7 | P74 V78 | P74-L76 PolarHBondContact O-N 3.11Å; L76-V78 PolarHBondContact O-N 3.48Å |
| 77 | S | 34.9 | Very low | 33.6 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | -57.9 | 126.1 | 170.9 | 50.9 | 0 | 0 | 0 | 0 | 111.2 | N75 S79 | N75-S77 PolarHBondContact O-N 3.07Å; S77-S79 PolarHBondContact O-N 3.38Å |
| 78 | V | 30.1 | Very low | 33.8 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | | | trans | -33.3 | 120.8 | 158.1 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | L76 | L76-V78 PolarHBondContact O-N 3.48Š|
| 79 | S | 35.5 | Very low | 33.5 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | -131.7 | 120.7 | 152.2 | 59.1 | 0 | 0 | 0 | 0 | 109.8 | S77 | S77-S79 PolarHBondContact O-N 3.38Š|
| 80 | N | 30.4 | Very low | 33.6 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | | | trans | -50.7 | 124.2 | -179.1 | -63.5 | -36.8 | 0 | 0 | 0 | 113.2 | | |
| 81 | V | 34 | Very low | 33.7 | Very low | 128 Ų | 128 | 142 Ų | 142 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | trans | -139.3 | 104.5 | 140.6 | -174.9 | 0 | 0 | 0 | 0 | 108.5 | Y83 | V81-Y83 HydrophobicContact CG1-CD2 4.24Å; V81-Y83 HydrophobicContact CG1-CE2 4.26Å |
| 82 | S | 29 | Very low | 33.9 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | | | trans | -68.7 | 127.8 | 174.4 | -43.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 83 | Y | 32.7 | Very low | 34.3 | Very low | 225 Ų | 225 | 144.1 Ų | 144.1 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | | | trans | -140.8 | 129.5 | 148.4 | -87.9 | -76.2 | 0 | 0 | 0 | 111.2 | V81 | V81-Y83 HydrophobicContact CG1-CD2 4.24Å; V81-Y83 HydrophobicContact CG1-CE2 4.26Å |
| 84 | S | 33.4 | Very low | 34.2 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | -67.4 | 144.4 | -164.4 | -71.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 85 | L | 28.3 | Very low | 34.3 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | trans | 24.8 | 125.9 | 136.7 | -88.7 | 80.9 | 0 | 0 | 0 | 118.4 | | |
| 86 | R | 33.8 | Very low | 34.5 | Very low | 245 Ų | 245 | 144.3 Ų | 144.3 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | | | | -170.7 | 112 | 103.4 | -96.8 | 174 | -159.6 | -179.1 | 6.5 | 110.9 | | |
| 87 | I | 30.4 | Very low | 34.8 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | | | trans | -94 | 137.6 | 163.1 | -62.1 | 168.8 | 0 | 0 | 0 | 107.1 | | |
| 88 | P | 41.2 | Very low | 34.7 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | | | trans | -106.4 | 121.3 | 150.5 | 18.4 | -0.8 | 0 | 0 | 0 | 110.6 | | |
| 89 | N | 32.2 | Very low | 35.5 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | | | trans | -63.5 | 143.5 | 169.6 | -75.4 | -31.7 | 0 | 0 | 0 | 112.4 | | |
| 90 | S | 39.1 | Very low | 35.7 | Very low | 111 Ų | 111 | 148 Ų | 148 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | -172.3 | 100.7 | 136.4 | 38.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 91 | N | 34.1 | Very low | 36 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | | 56.6 | 91.4 | 95.5 | -77.2 | -0.3 | 0 | 0 | 0 | 113.7 | | |
| 92 | E | 39.7 | Very low | 36.1 | Very low | 202 Ų | 202 | 151.1 Ų | 151.1 | 94% | 0.944 | 81% | 0.806 | S | S | * | * | | | trans | -164.9 | 131.3 | 137.4 | -108.7 | 171.5 | -165.7 | 0 | 0 | 111.6 | | |
| 93 | T | 39.9 | Very low | 36.4 | Very low | 132 Ų | 132 | 150.8 Ų | 150.8 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | | | trans | -89.1 | 151.3 | -162.7 | -38.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 94 | P | 35.4 | Very low | 36.5 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | -89.5 | 141.2 | -174 | 34.6 | -32.8 | 0 | 0 | 0 | 113 | | |
| 95 | V | 40.3 | Very low | 36.7 | Very low | 144 Ų | 144 | 149 Ų | 149 | 87% | 0.873 | 80% | 0.795 | S | S | * | * | | | trans | -105.1 | 107.4 | 171.7 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 96 | I | 35.5 | Very low | 37.2 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | | | trans | -85 | 133.4 | 167 | -65.6 | 166.5 | 0 | 0 | 0 | 108.1 | | |
| 97 | S | 41.6 | Very low | 37.2 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | -124.1 | 120.1 | 162.7 | 54.3 | 0 | 0 | 0 | 0 | 110 | | |
| 98 | H | 32.7 | Very low | 37.3 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | | | trans | -108.1 | 146.6 | 164.5 | -71.6 | -72.2 | 0 | 0 | 0 | 108.3 | | |
| 99 | P | 45.9 | Very low | 37.3 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | | | trans | -104.3 | 144.8 | 155.2 | 26.3 | -11.9 | 0 | 0 | 0 | 112.2 | | |
| 100 | K | 40.9 | Very low | 37.3 | Very low | 188 Ų | 188 | 144.4 Ų | 144.4 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | | | trans | -90.1 | 148.4 | -171.1 | -83.3 | 174.6 | 178.3 | 175.6 | 0 | 113.1 | | |
| 101 | H | 34.8 | Very low | 37.1 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | | | trans | 64.9 | 128.5 | 140 | -82.7 | -88.8 | 0 | 0 | 0 | 122.6 | | |
| 102 | L | 37.8 | Very low | 37 | Very low | 167 Ų | 167 | 147.3 Ų | 147.3 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | | 176.3 | 107.1 | 117.8 | -88.5 | 159.1 | 0 | 0 | 0 | 107.4 | | |
| 103 | C | 34 | Very low | 36.8 | Very low | 93 Ų | 93 | 147.1 Ų | 147.1 | 63% | 0.628 | 79% | 0.786 | S | S | * | * | | | | 106.7 | 117.2 | 64.5 | -138.1 | 0 | 0 | 0 | 0 | 113 | | |
| 104 | L | 35.4 | Very low | 36.5 | Very low | 147 Ų | 147 | 151.8 Ų | 151.8 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | | | trans | 65 | 144.4 | 145.7 | -63.2 | 163 | 0 | 0 | 0 | 119 | | |
| 105 | Q | 38.2 | Very low | 36.2 | Very low | 147 Ų | 147 | 156.8 Ų | 156.8 | 69% | 0.687 | 80% | 0.795 | S | S | * | * | | | cis | -169.9 | 154.9 | 20 | -131.9 | -175.6 | 9.9 | 0 | 0 | 111.4 | | |
| 106 | N | 38.1 | Very low | 35.9 | Very low | 133 Ų | 133 | 154.8 Ų | 154.8 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | 79.6 | 103.2 | 149.6 | -53.5 | -27.2 | 0 | 0 | 0 | 122.3 | | |
| 107 | S | 34.5 | Very low | 35.8 | Very low | 119 Ų | 119 | 155.6 Ų | 155.6 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | | 152.4 | 142 | 101.8 | -163 | 0 | 0 | 0 | 0 | 112.4 | | |
| 108 | P | 33.1 | Very low | 35.4 | Very low | 107 Ų | 107 | 156.7 Ų | 156.7 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | | | trans | -100.8 | 139.4 | -162.2 | 36.6 | -27.1 | 0 | 0 | 0 | 113.2 | | |
| 109 | H | 39.5 | Very low | 35.6 | Very low | 204 Ų | 204 | 154 Ų | 154 | 94% | 0.944 | 79% | 0.785 | S | S | * | * | | | trans | -152.7 | 131.6 | 143.2 | -101.6 | -58.1 | 0 | 0 | 0 | 110.6 | | |
| 110 | L | 33.9 | Very low | 35.1 | Very low | 161 Ų | 161 | 152.9 Ų | 152.9 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | trans | -91.3 | 151.5 | -167.5 | -125 | 151.8 | 0 | 0 | 0 | 109.7 | | |
| 111 | V | 33.2 | Very low | 34.8 | Very low | 104 Ų | 104 | 150.4 Ų | 150.4 | 63% | 0.63 | 78% | 0.779 | S | S | * | * | | | trans | 125.8 | 121.9 | 139.9 | -177.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 112 | Y | 32.4 | Very low | 34.8 | Very low | 221 Ų | 221 | 148 Ų | 148 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | | | trans | 77.5 | 81 | 165.6 | -65.3 | -56.4 | 0 | 0 | 0 | 120.5 | | |
| 113 | Q | 35.9 | Very low | 34.7 | Very low | 198 Ų | 198 | 151.1 Ų | 151.1 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | | | trans | -94.8 | 113.5 | 150.5 | -90.3 | -176.5 | -18.9 | 0 | 0 | 110.2 | R115 | Q113-R115 PolarHBondContact O-N 3.32Š|
| 114 | Y | 32.5 | Very low | 35 | Very low | 230 Ų | 230 | 152.6 Ų | 152.6 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | | | trans | -76.3 | 111.8 | 169.2 | -142.5 | -96.8 | 0 | 0 | 0 | 108.9 | S116 | Y114-S116 PolarHBondContact O-N 2.73Š|
| 115 | R | 29.6 | Very low | 35 | Very low | 217 Ų | 217 | 152.6 Ų | 152.6 | 82% | 0.819 | 78% | 0.782 | S | S | * | * | | | trans | -81 | 97.1 | 179.8 | -170.3 | -178.6 | -173 | -162.7 | 2.4 | 108.8 | Q113 | Q113-R115 PolarHBondContact O-N 3.32Š|
| 116 | S | 34.2 | Very low | 35.2 | Very low | 103 Ų | 103 | 151.7 Ų | 151.7 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | trans | -100.1 | 119.6 | 163.8 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | Y114 V118 | Y114-S116 PolarHBondContact O-N 2.73Å; S116-V118 PolarHBondContact O-N 3.42Å |
| 117 | Q | 32.8 | Very low | 35.2 | Very low | 150 Ų | 150 | 151.4 Ų | 151.4 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | trans | -79.1 | 117.1 | -175.7 | -55.3 | -155 | 42.4 | 0 | 0 | 109.9 | | |
| 118 | V | 34.7 | Very low | 35.3 | Very low | 137 Ų | 137 | 153.6 Ų | 153.6 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | | | trans | -100.9 | 102.1 | 164.5 | -179.3 | 0 | 0 | 0 | 0 | 106.9 | S116 | S116-V118 PolarHBondContact O-N 3.42Š|
| 119 | T | 37.1 | Very low | 35.3 | Very low | 112 Ų | 112 | 154.1 Ų | 154.1 | 69% | 0.687 | 80% | 0.795 | S | S | * | * | | | trans | -67.1 | 131 | 173.4 | -39.9 | 0 | 0 | 0 | 0 | 109.4 | V121 | T119-V121 PolarHBondContact O-N 3.4Š|
| 120 | P | 34.2 | Very low | 35.1 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | | | trans | -72.8 | 116.8 | 173.1 | 28.2 | -30.8 | 0 | 0 | 0 | 109.6 | V122 | P120-V122 PolarHBondContact O-N 2.82Å; P120-V122 VanDerWaalsContact O-N 3.11Å |
| 121 | V | 35.9 | Very low | 35.1 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | trans | -71.8 | 103.6 | 167 | 177.3 | 0 | 0 | 0 | 0 | 107.7 | T119 R123 | T119-V121 PolarHBondContact O-N 3.4Å; V121-R123 PolarHBondContact O-N 3.39Å |
| 122 | V | 34.5 | Very low | 35.2 | Very low | 115 Ų | 115 | 153.7 Ų | 153.7 | 70% | 0.697 | 78% | 0.781 | S | S | * | * | | | trans | -59.9 | 113.7 | 167.7 | 174.2 | 0 | 0 | 0 | 0 | 107.9 | P120 T124 | P120-V122 PolarHBondContact O-N 2.82Å; P120-V122 VanDerWaalsContact O-N 3.11Å; V122-T124 HydrophobicContact CG1-CG2 4.47Å; V122-T124 PolarHBondContact O-N 3.34Å |
| 123 | R | 35.3 | Very low | 35.4 | Very low | 233 Ų | 233 | 150.6 Ų | 150.6 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | | | trans | -70.1 | 104.3 | 168.9 | -73.9 | -176.9 | 171.9 | 172.6 | -2.6 | 108.4 | V121 | V121-R123 PolarHBondContact O-N 3.39Š|
| 124 | T | 39.7 | Very low | 35 | Very low | 124 Ų | 124 | 146.4 Ų | 146.4 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | | | trans | -82.9 | 119.8 | 161 | 46 | 0 | 0 | 0 | 0 | 108.3 | V122 | V122-T124 HydrophobicContact CG1-CG2 4.47Å; V122-T124 PolarHBondContact O-N 3.34Å |
| 125 | N | 35.1 | Very low | 35.3 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | | | trans | -63 | 132.9 | 171.5 | -70.3 | -43.4 | 0 | 0 | 0 | 109.3 | T127 | N125-T127 PolarHBondContact O-N 3.05Š|
| 126 | P | 42.4 | Very low | 35.5 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | | | trans | -74.2 | 113.9 | 165.7 | 28.3 | -28.9 | 0 | 0 | 0 | 108.9 | E128 | P126-E128 PolarHBondContact O-N 3.2Š|
| 127 | T | 38.9 | Very low | 35.4 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | -63.3 | 128.7 | 169.5 | -42.3 | 0 | 0 | 0 | 0 | 109.5 | N125 C129 | N125-T127 PolarHBondContact O-N 3.05Å; T127-C129 PolarHBondContact O-N 2.58Å; T127-C129 VanDerWaalsContact O-N 3.16Å |
| 128 | E | 36.3 | Very low | 35.6 | Very low | 164 Ų | 164 | 140.1 Ų | 140.1 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | | | trans | -65.9 | 100.1 | 177.8 | -166.1 | 179.2 | -175.3 | 0 | 0 | 110.5 | P126 Q130 | P126-E128 PolarHBondContact O-N 3.2Å; E128-Q130 PolarHBondContact O-N 2.85Å |
| 129 | C | 33.4 | Very low | 35.5 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -89.2 | 93.8 | 166.9 | -73.8 | 0 | 0 | 0 | 0 | 109.2 | T127 T131 | T127-C129 PolarHBondContact O-N 2.58Å; T127-C129 VanDerWaalsContact O-N 3.16Å; C129-T131 PolarHBondContact O-N 2.91Å |
| 130 | Q | 36.1 | Very low | 35.5 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 61% | 0.612 | 77% | 0.765 | S | S | * | * | | | trans | -78.8 | 92.4 | 175.6 | -162.9 | 176.4 | 89.6 | 0 | 0 | 109.5 | E128 R132 | E128-Q130 PolarHBondContact O-N 2.85Å; Q130-R132 PolarHBondContact O-N 3.38Å; Q130-R132 VanDerWaalsContact O-N 3.16Å |
| 131 | T | 33.8 | Very low | 35.5 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | | | trans | -77.6 | 97.6 | 170.8 | -51 | 0 | 0 | 0 | 0 | 109.3 | C129 I133 | C129-T131 PolarHBondContact O-N 2.91Å; T131-I133 HydrophobicContact CG2-CD1 4.33Å; T131-I133 HydrophobicContact CG2-CG1 4.08Å |
| 132 | R | 33.4 | Very low | 35.6 | Very low | 210 Ų | 210 | 143 Ų | 143 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | trans | -79.5 | 112.9 | 164.2 | -75.4 | -179.4 | 173.9 | -177.3 | -3.4 | 108.7 | Q130 | Q130-R132 PolarHBondContact O-N 3.38Å; Q130-R132 VanDerWaalsContact O-N 3.16Å |
| 133 | I | 36.7 | Very low | 35.7 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 80% | 0.795 | 77% | 0.77 | S | S | * | * | | | trans | -111.1 | 111.9 | 157.8 | -57.5 | 174.4 | 0 | 0 | 0 | 106.2 | T131 | T131-I133 HydrophobicContact CG2-CD1 4.33Å; T131-I133 HydrophobicContact CG2-CG1 4.08Å |
| 134 | S | 29.2 | Very low | 35.6 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | trans | -130.4 | 106.2 | 175.1 | 164.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 135 | T | 38.6 | Very low | 35.6 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | -150 | 102.3 | 158 | 47.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 136 | R | 33 | Very low | 35.5 | Very low | 234 Ų | 234 | 141.3 Ų | 141.3 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | | | | 68.5 | 107.7 | 114.8 | -97.6 | -173 | 162 | -179.5 | -5.3 | 116 | | |
| 137 | S | 33.4 | Very low | 35.1 | Very low | 93 Ų | 93 | 145.4 Ų | 145.4 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | | | | 28.6 | 127.6 | 119.9 | 55.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 138 | T | 36.3 | Very low | 34.8 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | | | cis | -171.8 | 151.2 | 47.8 | 28 | 0 | 0 | 0 | 0 | 109.8 | | |
| 139 | D | 33 | Very low | 34.8 | Very low | 141 Ų | 141 | 146 Ų | 146 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | trans | 53.3 | 132.7 | 139.5 | -57.6 | -26.9 | 0 | 0 | 0 | 124 | | |
| 140 | S | 37.2 | Very low | 34.8 | Very low | 111 Ų | 111 | 148.6 Ų | 148.6 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | 67.2 | 112.6 | 145.9 | 61.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 141 | L | 34.1 | Very low | 34.8 | Very low | 150 Ų | 150 | 151.8 Ų | 151.8 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | | 82.3 | 113.8 | 73.4 | -156.8 | 139.9 | 0 | 0 | 0 | 111.7 | | |
| 142 | L | 37.5 | Very low | 34.8 | Very low | 149 Ų | 149 | 155 Ų | 155 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | | | trans | 69.3 | 118.8 | 167.7 | -62 | 169.1 | 0 | 0 | 0 | 117.5 | | |
| 143 | D | 35.4 | Very low | 34.8 | Very low | 141 Ų | 141 | 151.6 Ų | 151.6 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | | 150.8 | 154.2 | 90.9 | -150.1 | 4.5 | 0 | 0 | 0 | 111.3 | | |
| 144 | E | 35 | Very low | 34.5 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | | | trans | -49.9 | 143.3 | -178.9 | -59.1 | -179 | 152.4 | 0 | 0 | 114.3 | | |
| 145 | N | 39.1 | Very low | 34.5 | Very low | 133 Ų | 133 | 149.4 Ų | 149.4 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | | 164 | 125.2 | 115.9 | -84.7 | -57.1 | 0 | 0 | 0 | 112.5 | | |
| 146 | H | 33 | Very low | 34.2 | Very low | 156 Ų | 156 | 149.5 Ų | 149.5 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | 2.7 | 127.1 | 147.7 | -67.7 | -89.2 | 0 | 0 | 0 | 118.1 | | |
| 147 | F | 33.3 | Very low | 34 | Very low | 215 Ų | 215 | 143.9 Ų | 143.9 | 94% | 0.943 | 78% | 0.775 | S | S | * | * | | | | -150.9 | 116.1 | 125.6 | -93.9 | -72.9 | 0 | 0 | 0 | 110.5 | | |
| 148 | L | 32 | Very low | 33.9 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | | | trans | -63.4 | 135.3 | 163.1 | -85.7 | 135.6 | 0 | 0 | 0 | 110 | E150 | L148-E150 HydrophobicContact CD2-CG 4.41Š|
| 149 | I | 37.5 | Very low | 33.5 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | | | trans | -134.6 | 109.9 | 142.9 | -61.1 | -177.7 | 0 | 0 | 0 | 106.6 | | |
| 150 | E | 32.9 | Very low | 33.4 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -66.1 | 134.9 | 166 | -69.7 | 175.1 | 135 | 0 | 0 | 109.6 | L148 | L148-E150 HydrophobicContact CD2-CG 4.41Š|
| 151 | E | 36.8 | Very low | 33.2 | Very low | 199 Ų | 199 | 147.6 Ų | 147.6 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | | | trans | -144.5 | 144 | 145.5 | -150.2 | 177.7 | -177.2 | 0 | 0 | 109.5 | | |
| 152 | E | 34.3 | Very low | 33.1 | Very low | 187 Ų | 187 | 147.7 Ų | 147.7 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -95.1 | 152.2 | -141.6 | -167 | 177.4 | 168.4 | 0 | 0 | 113 | | |
| 153 | I | 32.1 | Very low | 32.7 | Very low | 137 Ų | 137 | 145.9 Ų | 145.9 | 70% | 0.703 | 79% | 0.785 | S | S | * | * | | | trans | -73.5 | 154.8 | -170.2 | -61.9 | 159.4 | 0 | 0 | 0 | 111.7 | | |
| 154 | P | 31.1 | Very low | 32.4 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | | -129.2 | 125.2 | 116.4 | 33.6 | -24.3 | 0 | 0 | 0 | 112.7 | T156 | P154-T156 PolarHBondContact O-N 2.77Å; P154-T156 VanDerWaalsContact O-N 3.12Å |
| 155 | S | 29.2 | Very low | 32.2 | Very low | 107 Ų | 107 | 148.7 Ų | 148.7 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | trans | -71.7 | 93.8 | -178.2 | 30.6 | 0 | 0 | 0 | 0 | 109.3 | S157 | S155-S157 PolarHBondContact O-N 2.92Š|
| 156 | T | 32.8 | Very low | 31.9 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | | | trans | -92.8 | 92.5 | 169.3 | 39.3 | 0 | 0 | 0 | 0 | 109.5 | P154 I158 | P154-T156 PolarHBondContact O-N 2.77Å; P154-T156 VanDerWaalsContact O-N 3.12Å; T156-I158 PolarHBondContact O-N 2.88Å |
| 157 | S | 27.1 | Very low | 31.6 | Very low | 116 Ų | 116 | 151.1 Ų | 151.1 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | | | trans | -64.8 | 106.9 | 167 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | S155 C159 | S155-S157 PolarHBondContact O-N 2.92Å; S157-C159 PolarHBondContact O-N 2.94Å |
| 158 | I | 31.9 | Very low | 31.5 | Very low | 165 Ų | 165 | 150.5 Ų | 150.5 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | | | trans | -89.2 | 104.7 | 168 | -63.3 | 177 | 0 | 0 | 0 | 107.3 | T156 A160 | T156-I158 PolarHBondContact O-N 2.88Å; I158-A160 PolarHBondContact O-N 2.58Å |
| 159 | C | 27.4 | Very low | 31.4 | Very low | 108 Ų | 108 | 151 Ų | 151 | 73% | 0.73 | 82% | 0.819 | S | S | * | * | | | trans | -54.5 | 108.6 | -176.5 | -163.5 | 0 | 0 | 0 | 0 | 112.3 | S157 K161 | S157-C159 PolarHBondContact O-N 2.94Å; C159-K161 VanDerWaalsContact C-N 3.35Å; C159-K161 PolarHBondContact O-N 2.82Å; C159-K161 VanDerWaalsContact O-N 3.1Å |
| 160 | A | 32.9 | Very low | 31 | Very low | 90 Ų | 90 | 151.1 Ų | 151.1 | 74% | 0.744 | 82% | 0.822 | S | S | * | * | | | trans | -73.6 | 92.6 | 160 | 0 | 0 | 0 | 0 | 0 | 108.4 | I158 | I158-A160 PolarHBondContact O-N 2.58Š|
| 161 | K | 32.6 | Very low | 30.7 | Very low | 178 Ų | 178 | 145.7 Ų | 145.7 | 77% | 0.774 | 81% | 0.812 | S | S | * | * | | | trans | -61.8 | 142.1 | 163.9 | -120.6 | 157.8 | 175.4 | 171.1 | 0 | 108.5 | C159 | C159-K161 VanDerWaalsContact C-N 3.35Å; C159-K161 PolarHBondContact O-N 2.82Å; C159-K161 VanDerWaalsContact O-N 3.1Å |
| 162 | D | 31.2 | Very low | 30.4 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | 92.4 | 35.4 | 167.9 | -49.4 | -18 | 0 | 0 | 0 | 118.3 | | |
| 163 | S | 30.1 | Very low | 30.3 | Very low | 110 Ų | 110 | 144.9 Ų | 144.9 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | | | trans | -116.3 | 40.8 | 163 | -65.5 | 0 | 0 | 0 | 0 | 113 | | |
| 164 | L | 29 | Very low | 30.2 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | | | trans | -154.5 | 86 | 173.7 | -76.1 | 175.2 | 0 | 0 | 0 | 108.4 | | |
| 165 | H | 30.5 | Very low | 30.1 | Very low | 195 Ų | 195 | 141.3 Ų | 141.3 | 90% | 0.903 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -171.6 | 69.7 | 158.2 | -98.7 | 31.6 | 0 | 0 | 0 | 108.1 | | |
| 166 | L | 31.7 | Very low | 30.5 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 90% | 0.901 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -175.9 | 54.5 | 160 | -98.3 | 165.1 | 0 | 0 | 0 | 108.8 | | |
| 167 | N | 28.2 | Very low | 30.2 | Very low | 168 Ų | 168 | 146.4 Ų | 146.4 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | | | trans | -153.8 | 62 | 170.1 | -94.1 | -24.5 | 0 | 0 | 0 | 107.9 | | |
| 168 | K | 29.9 | Very low | 30.7 | Very low | 203 Ų | 203 | 148.5 Ų | 148.5 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | | | trans | -165.3 | 57.7 | 174.9 | -125.9 | 171.7 | -175.6 | -179.9 | 0 | 113.7 | | |
| 169 | V | 30.6 | Very low | 30.9 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | | | trans | -142.6 | 63.9 | 148.7 | -168.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 170 | N | 28.3 | Very low | 31.1 | Very low | 173 Ų | 173 | 147.8 Ų | 147.8 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | | | trans | -124.7 | 112.4 | 161.3 | -100.2 | -5 | 0 | 0 | 0 | 105.4 | | |
| 171 | G | 27.9 | Very low | 31.2 | Very low | 57 Ų | 57 | 149.6 Ų | 149.6 | 59% | 0.588 | 81% | 0.811 | S | S | * | * | | | trans | 136 | 122.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 172 | H | 30.1 | Very low | 31.3 | Very low | 189 Ų | 189 | 150.8 Ų | 150.8 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | S | Bend | trans | 78.8 | 85.4 | -173.8 | -44 | -69.7 | 0 | 0 | 0 | 112.1 | | |
| 173 | L | 33.1 | Very low | 31.3 | Very low | 180 Ų | 180 | 153.6 Ų | 153.6 | 94% | 0.942 | 81% | 0.812 | S | S | * | * | | | | -144.5 | 104.7 | 70.3 | -75 | 160 | 0 | 0 | 0 | 110.5 | | |
| 174 | S | 30.1 | Very low | 31.5 | Very low | 123 Ų | 123 | 155.7 Ų | 155.7 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | trans | -71.8 | 133.4 | 159.4 | 173.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 175 | G | 29 | Very low | 31.6 | Very low | 54 Ų | 54 | 153.3 Ų | 153.3 | 56% | 0.557 | 81% | 0.81 | S | S | * | * | | | trans | 88.5 | 88.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 176 | Q | 35.6 | Very low | 31.6 | Very low | 195 Ų | 195 | 153.7 Ų | 153.7 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | | | | -165.1 | 116.3 | 121.2 | -114.5 | 113.9 | 45.8 | 0 | 0 | 111.5 | | |
| 177 | N | 28.1 | Very low | 31.6 | Very low | 143 Ų | 143 | 150.4 Ų | 150.4 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | | | trans | -64.9 | 141.5 | 159.1 | -116.8 | -43.6 | 0 | 0 | 0 | 109.8 | | |
| 178 | L | 37.1 | Very low | 32 | Very low | 160 Ų | 160 | 152.6 Ų | 152.6 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | -169.1 | 83.3 | 148.1 | -99.2 | 155.1 | 0 | 0 | 0 | 105.5 | | |
| 179 | I | 36.5 | Very low | 32.1 | Very low | 125 Ų | 125 | 150.1 Ų | 150.1 | 64% | 0.641 | 79% | 0.787 | S | S | * | * | | | | 59.9 | 115.9 | 94 | -63 | 173.4 | 0 | 0 | 0 | 112.8 | | |
| 180 | D | 30.2 | Very low | 32.4 | Very low | 132 Ų | 132 | 149.7 Ų | 149.7 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | 38.1 | 116.9 | 150.1 | -81.4 | -42.2 | 0 | 0 | 0 | 119.5 | | |
| 181 | V | 36.5 | Very low | 32.7 | Very low | 129 Ų | 129 | 146.2 Ų | 146.2 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | | | | -153.2 | 98.4 | 113 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 182 | R | 34.4 | Very low | 33 | Very low | 203 Ų | 203 | 155.1 Ų | 155.1 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | | | | 34.6 | 117 | 128.5 | -61.9 | -179.9 | -93.1 | -169 | -5.9 | 119.7 | | |
| 183 | Y | 29.7 | Very low | 33.4 | Very low | 212 Ų | 212 | 154.1 Ų | 154.1 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | | | trans | 34.5 | 112.1 | 131.3 | -74.5 | -93.9 | 0 | 0 | 0 | 118.9 | | |
| 184 | L | 35.3 | Very low | 33.4 | Very low | 153 Ų | 153 | 150.3 Ų | 150.3 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | | | | -157 | 93.7 | 129.4 | -140 | 77.6 | 0 | 0 | 0 | 112.1 | R186 | L184-R186 HydrophobicContact CD2-CG 4.46Å; L184-R186 PolarHBondContact O-N 3.06Å |
| 185 | S | 30 | Very low | 33.8 | Very low | 109 Ų | 109 | 150.6 Ų | 150.6 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | -65 | 109.6 | 159.1 | -28.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 186 | R | 32.2 | Very low | 34.3 | Very low | 202 Ų | 202 | 154.1 Ų | 154.1 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | -116.8 | 91.4 | 161.3 | -99.1 | -171.7 | 175.8 | -148.4 | -0.1 | 109.5 | L184 R188 | L184-R186 HydrophobicContact CD2-CG 4.46Å; L184-R186 PolarHBondContact O-N 3.06Å; R186-R188 PolarHBondContact O-N 2.83Å |
| 187 | S | 31.2 | Very low | 34.3 | Very low | 103 Ų | 103 | 149.8 Ų | 149.8 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | trans | -67.7 | 111.4 | 156.8 | 42 | 0 | 0 | 0 | 0 | 109 | | |
| 188 | R | 35.5 | Very low | 34.7 | Very low | 214 Ų | 214 | 148 Ų | 148 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | | | trans | -99.2 | 100 | 160.5 | -101.7 | -176.1 | 176.3 | 172.2 | -1.3 | 108 | R186 T190 | R186-R188 PolarHBondContact O-N 2.83Å; R188-T190 PolarHBondContact O-N 3.18Å |
| 189 | N | 33.1 | Very low | 34.7 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -61.3 | 114.2 | 161.3 | -68.2 | -23.6 | 0 | 0 | 0 | 108.4 | | |
| 190 | T | 36 | Very low | 34.7 | Very low | 136 Ų | 136 | 145 Ų | 145 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | | | trans | -96 | 90 | 161 | 48.3 | 0 | 0 | 0 | 0 | 107.7 | R188 R192 | R188-T190 PolarHBondContact O-N 3.18Å; T190-R192 PolarHBondContact O-N 3.27Å |
| 191 | S | 35.5 | Very low | 35.2 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | | | trans | -67.1 | 130.8 | 167.8 | 69.9 | 0 | 0 | 0 | 0 | 109.2 | L193 | S191-L193 PolarHBondContact O-N 2.91Š|
| 192 | R | 33.8 | Very low | 35.2 | Very low | 244 Ų | 244 | 152.5 Ų | 152.5 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | | | trans | -39.5 | 121.5 | 165.9 | -64 | 171.7 | 168.7 | -171.7 | -4.9 | 111.6 | T190 | T190-R192 PolarHBondContact O-N 3.27Š|
| 193 | L | 38.2 | Very low | 35.5 | Very low | 168 Ų | 168 | 154 Ų | 154 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | | | trans | -121.1 | 117.2 | 155.2 | -75.1 | 174.3 | 0 | 0 | 0 | 108.6 | S191 | S191-L193 PolarHBondContact O-N 2.91Š|
| 194 | S | 33.6 | Very low | 36.2 | Very low | 100 Ų | 100 | 150.1 Ų | 150.1 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | -62.8 | 142.8 | 169.5 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | V196 | S194-V196 PolarHBondContact O-N 3.21Š|
| 195 | P | 38.6 | Very low | 36.5 | Very low | 128 Ų | 128 | 149 Ų | 149 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | | | trans | -85.5 | 111.3 | 176.7 | 32.3 | -27.3 | 0 | 0 | 0 | 109.3 | | |
| 196 | V | 39 | Very low | 37.3 | Very low | 129 Ų | 129 | 148.6 Ų | 148.6 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | | | trans | -122.2 | 122.6 | 164.6 | 179 | 0 | 0 | 0 | 0 | 109.2 | S194 | S194-V196 PolarHBondContact O-N 3.21Š|
| 197 | S | 34.9 | Very low | 38.2 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | trans | -47.2 | 136.5 | 172.1 | 175.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 198 | S | 38.4 | Very low | 39.1 | Very low | 106 Ų | 106 | 146.4 Ų | 146.4 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | 179.9 | 94.5 | 147 | 42.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 199 | V | 35.5 | Very low | 39.8 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | | | | 34.5 | 113.7 | 94.7 | -175.2 | 0 | 0 | 0 | 0 | 113 | | |
| 200 | S | 37.4 | Very low | 40.6 | Very low | 85 Ų | 85 | 144.5 Ų | 144.5 | 59% | 0.594 | 77% | 0.77 | S | S | * | * | | | trans | 173.6 | 124.8 | 135.1 | 171.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 201 | K | 40.5 | Very low | 40.9 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | 68.2 | 104.9 | 144.6 | -64.5 | 169.5 | -164.3 | -179.3 | 0 | 118.1 | | |
| 202 | R | 36.7 | Very low | 41.2 | Very low | 234 Ų | 234 | 146.6 Ų | 146.6 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | | 60.5 | 109.3 | 83.2 | -69.8 | -156.2 | -165.9 | -163.2 | 5.7 | 114.9 | | |
| 203 | Y | 40.7 | Very low | 41.7 | Very low | 233 Ų | 233 | 140.8 Ų | 140.8 | 91% | 0.914 | 77% | 0.768 | S | S | * | * | | | trans | -150.4 | 100.8 | 141.9 | -87.6 | -81.2 | 0 | 0 | 0 | 104.3 | | |
| 204 | D | 44.8 | Very low | 41.8 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | | 67.2 | 119.6 | 78.7 | -113.7 | 17.9 | 0 | 0 | 0 | 115.8 | | |
| 205 | N | 42 | Very low | 42.5 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | trans | 79.1 | 106 | 157.9 | -53.5 | -28 | 0 | 0 | 0 | 117.7 | | |
| 206 | S | 46.9 | Very low | 42.8 | Very low | 100 Ų | 100 | 149.7 Ų | 149.7 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | | 97 | 126.5 | 96 | 66.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 207 | D | 49.3 | Very low | 42.7 | Very low | 135 Ų | 135 | 151.1 Ų | 151.1 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | cis | -167.4 | 164 | 47.7 | -103.6 | -40.8 | 0 | 0 | 0 | 110 | | |
| 208 | D | 50.1 | Low | 43.4 | Very low | 124 Ų | 124 | 155 Ų | 155 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | | | trans | 76.4 | 91.2 | 147.2 | -68.1 | -32.8 | 0 | 0 | 0 | 121.5 | | |
| 209 | N | 51.8 | Low | 43.8 | Very low | 134 Ų | 134 | 156.6 Ų | 156.6 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | | | | 75.7 | 122.4 | 110.2 | -79.8 | -44.6 | 0 | 0 | 0 | 120.7 | | |
| 210 | K | 49 | Very low | 44.2 | Very low | 191 Ų | 191 | 159.6 Ų | 159.6 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | | | trans | 69.5 | 99.2 | 148.9 | -72.3 | -178.9 | 173.8 | -179.4 | 0 | 117.2 | | |
| 211 | C | 42.9 | Very low | 44.5 | Very low | 128 Ų | 128 | 161.1 Ų | 161.1 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | | | | -163.4 | 96.4 | 117.5 | -98.8 | 0 | 0 | 0 | 0 | 109.6 | V213 | C211-V213 PolarHBondContact O-N 3.01Š|
| 212 | D | 40.2 | Very low | 44.7 | Very low | 152 Ų | 152 | 160 Ų | 160 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | -59.6 | 113.1 | 163.7 | -93.5 | -45.4 | 0 | 0 | 0 | 109.8 | | |
| 213 | V | 44.4 | Very low | 45.2 | Very low | 123 Ų | 123 | 155.4 Ų | 155.4 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | | | trans | -123.4 | 94.5 | 154.5 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | C211 L215 | C211-V213 PolarHBondContact O-N 3.01Å; V213-L215 HydrophobicContact CG1-CD1 4.43Å; V213-L215 PolarHBondContact O-N 3.12Å |
| 214 | R | 42 | Very low | 45.6 | Very low | 226 Ų | 226 | 149.4 Ų | 149.4 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | | | trans | -62.7 | 110.2 | 167.3 | -68.9 | 175.3 | 166.7 | -171 | -4.8 | 109.1 | | |
| 215 | L | 46.6 | Very low | 45.4 | Very low | 163 Ų | 163 | 153.8 Ų | 153.8 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | trans | -125.5 | 122.6 | 158.3 | -106.4 | 147.7 | 0 | 0 | 0 | 109.5 | V213 | V213-L215 HydrophobicContact CG1-CD1 4.43Å; V213-L215 PolarHBondContact O-N 3.12Å |
| 216 | K | 45.6 | Very low | 45.8 | Very low | 194 Ų | 194 | 156.7 Ų | 156.7 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | trans | -70.2 | 140.8 | -157.4 | -68.5 | -169.7 | 170.7 | -175.8 | 0 | 113.1 | K218 | K216-K218 PolarHBondContact O-N 2.74Š|
| 217 | N | 37.9 | Very low | 46.2 | Very low | 158 Ų | 158 | 160.5 Ų | 160.5 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | | | trans | -39.8 | 122.3 | 157.8 | -77.1 | -34.7 | 0 | 0 | 0 | 112.4 | | |
| 218 | K | 48.3 | Very low | 46.4 | Very low | 184 Ų | 184 | 159.3 Ų | 159.3 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | | | trans | -140.2 | 118.2 | 146.5 | -70.3 | -168.6 | 177.9 | 179.3 | 0 | 109.3 | K216 | K216-K218 PolarHBondContact O-N 2.74Š|
| 219 | D | 46.4 | Very low | 46.8 | Very low | 140 Ų | 140 | 159 Ų | 159 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | | | trans | 70.5 | 79.5 | 152.4 | -48.4 | -27.3 | 0 | 0 | 0 | 118.3 | V221 | D219-V221 VanDerWaalsContact C-N 3.26Å; D219-V221 HydrophobicContact CB-CG2 4.46Å; D219-V221 PolarHBondContact O-N 2.91Å |
| 220 | K | 45.2 | Very low | 47.2 | Very low | 201 Ų | 201 | 162.5 Ų | 162.5 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -63.7 | 88.5 | 149.8 | -71.7 | 179 | 179 | -179.8 | 0 | 108.9 | M222 | K220-M222 PolarHBondContact O-N 3.23Å; K220-M222 VanDerWaalsContact O-N 3.13Å |
| 221 | V | 44 | Very low | 47.2 | Very low | 117 Ų | 117 | 165 Ų | 165 | 71% | 0.709 | 81% | 0.807 | S | S | * | * | | | trans | -75.5 | 99 | 164.8 | -179.1 | 0 | 0 | 0 | 0 | 107.8 | D219 I223 | D219-V221 VanDerWaalsContact C-N 3.26Å; D219-V221 HydrophobicContact CB-CG2 4.46Å; D219-V221 PolarHBondContact O-N 2.91Å; V221-I223 PolarHBondContact O-N 3.34Å |
| 222 | M | 43.9 | Very low | 47.6 | Very low | 160 Ų | 160 | 169.9 Ų | 169.9 | 79% | 0.788 | 81% | 0.807 | S | S | * | * | | | trans | -54.3 | 101 | 161 | -83.6 | -94.6 | -58.2 | 0 | 0 | 109 | K220 V224 | K220-M222 PolarHBondContact O-N 3.23Å; K220-M222 VanDerWaalsContact O-N 3.13Å; M222-V224 PolarHBondContact O-N 3.25Å |
| 223 | I | 46.7 | Very low | 48.1 | Very low | 139 Ų | 139 | 173 Ų | 173 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | | | trans | -72.6 | 97.7 | 168.3 | -60.3 | 174.5 | 0 | 0 | 0 | 106.7 | V221 Y225 | V221-I223 PolarHBondContact O-N 3.34Å; I223-Y225 PolarHBondContact O-N 3.19Å; I223-Y225 VanDerWaalsContact O-N 3.1Å |
| 224 | V | 48.6 | Very low | 48.1 | Very low | 107 Ų | 107 | 171.5 Ų | 171.5 | 65% | 0.648 | 81% | 0.808 | S | S | * | * | | | trans | -59.2 | 109.1 | 165.7 | 175.1 | 0 | 0 | 0 | 0 | 107.2 | M222 K226 | M222-V224 PolarHBondContact O-N 3.25Å; V224-K226 VanDerWaalsContact C-N 3.34Å; V224-K226 PolarHBondContact O-N 3.07Å |
| 225 | Y | 40.5 | Very low | 48.2 | Very low | 223 Ų | 223 | 167 Ų | 167 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | | | trans | -62.6 | 96.3 | 169.6 | -81.2 | -89.1 | 0 | 0 | 0 | 108.4 | I223 E227 | I223-Y225 PolarHBondContact O-N 3.19Å; I223-Y225 VanDerWaalsContact O-N 3.1Å; Y225-E227 PolarHBondContact O-N 2.93Å |
| 226 | K | 51.4 | Low | 48.5 | Very low | 191 Ų | 191 | 167.4 Ų | 167.4 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | | | trans | -73.1 | 116 | 160.1 | -76.4 | -155.1 | 176.1 | -168.5 | 0 | 107.5 | V224 | V224-K226 VanDerWaalsContact C-N 3.34Å; V224-K226 PolarHBondContact O-N 3.07Å |
| 227 | E | 54.3 | Low | 48.6 | Very low | 180 Ų | 180 | 166.1 Ų | 166.1 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | | | trans | -44.7 | 124.2 | 172.1 | -147 | 178.6 | -167.9 | 0 | 0 | 109.4 | Y225 | Y225-E227 PolarHBondContact O-N 2.93Š|
| 228 | P | 54.4 | Low | 49.1 | Very low | 110 Ų | 110 | 165.8 Ų | 165.8 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | | | trans | -63.5 | 136 | -178 | 22.9 | -30.2 | 0 | 0 | 0 | 109.5 | K230 | P228-K230 PolarHBondContact O-N 3.5Š|
| 229 | P | 58.4 | Low | 49.1 | Very low | 117 Ų | 117 | 163.7 Ų | 163.7 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | | | trans | -55 | 130.1 | -178.5 | -22.7 | 30.9 | 0 | 0 | 0 | 111 | R231 | P229-R231 PolarHBondContact O-N 3.25Š|
| 230 | K | 61 | Low | 49.3 | Very low | 209 Ų | 209 | 165.1 Ų | 165.1 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | | | trans | -46.6 | 100.6 | 174.8 | -77.7 | 175.1 | 178.5 | 170.4 | 0 | 109.9 | P228 R232 | P228-K230 PolarHBondContact O-N 3.5Å; K230-R232 PolarHBondContact O-N 3.21Å |
| 231 | R | 47.8 | Very low | 49.6 | Very low | 244 Ų | 244 | 161.4 Ų | 161.4 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | trans | -66.1 | 121 | 173.6 | -68.2 | -176.6 | 84.2 | 178 | 4.7 | 107.6 | P229 K233 | P229-R231 PolarHBondContact O-N 3.25Å; R231-K233 PolarHBondContact O-N 3.48Å |
| 232 | R | 52.4 | Low | 49.8 | Very low | 230 Ų | 230 | 159.5 Ų | 159.5 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | | | trans | -51.6 | 131.9 | 178.2 | -74.3 | 166 | 78.9 | 166.7 | 2.4 | 109.6 | K230 S234 | K230-R232 PolarHBondContact O-N 3.21Å; R232-S234 PolarHBondContact O-N 3.23Å; R232-S234 VanDerWaalsContact O-N 3.15Å |
| 233 | K | 50.2 | Low | 50.5 | Low | 217 Ų | 217 | 159.1 Ų | 159.1 | 94% | 0.943 | 78% | 0.784 | S | S | * | * | | | trans | -65.2 | 104.7 | 166.2 | -63.1 | 178.5 | 179.1 | -178.6 | 0 | 107.4 | R231 | R231-K233 PolarHBondContact O-N 3.48Š|
| 234 | S | 43.5 | Very low | 50.9 | Low | 91 Ų | 91 | 159 Ų | 159 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | | | trans | -159 | 104.1 | 168.5 | 57.4 | 0 | 0 | 0 | 0 | 110.5 | R232 | R232-S234 PolarHBondContact O-N 3.23Å; R232-S234 VanDerWaalsContact O-N 3.15Å |
| 235 | I | 45.8 | Very low | 50.5 | Low | 132 Ų | 132 | 157 Ų | 157 | 68% | 0.677 | 78% | 0.781 | S | S | * | * | | | trans | 160.3 | 59.9 | 138.9 | -79.9 | 154 | 0 | 0 | 0 | 106.3 | L238 | I235-L238 HydrophobicContact CG2-CD1 3.96Å; I235-L238 HydrophobicContact CG2-CG 4.16Å |
| 236 | D | 52.3 | Low | 51.3 | Low | 171 Ų | 171 | 154.3 Ų | 154.3 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -113 | 26.3 | 160.7 | -85.4 | -27.6 | 0 | 0 | 0 | 109.3 | | |
| 237 | Q | 47.5 | Very low | 51.4 | Low | 168 Ų | 168 | 150.8 Ų | 150.8 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | trans | -130.7 | 28 | 177.9 | -65.7 | -170.1 | 28.2 | 0 | 0 | 112.7 | I239 | Q237-I239 PolarHBondContact O-N 3Š|
| 238 | L | 48.2 | Very low | 51 | Low | 150 Ų | 150 | 147.6 Ų | 147.6 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | -73.2 | 83.1 | 158.6 | -73.2 | 173.9 | 0 | 0 | 0 | 107.1 | I235 E240 | I235-L238 HydrophobicContact CG2-CD1 3.96Å; I235-L238 HydrophobicContact CG2-CG 4.16Å; L238-E240 PolarHBondContact O-N 3.37Å |
| 239 | I | 48 | Very low | 51.3 | Low | 141 Ų | 141 | 148.4 Ų | 148.4 | 72% | 0.723 | 77% | 0.771 | S | S | * | * | | | trans | -52.5 | 106.3 | 163.4 | -67 | 163.3 | 0 | 0 | 0 | 105.4 | Q237 | Q237-I239 PolarHBondContact O-N 3Š|
| 240 | E | 51.4 | Low | 51.1 | Low | 170 Ų | 170 | 151.5 Ų | 151.5 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | -54.3 | 131.3 | 164.3 | -76.8 | -173.1 | 158.5 | 0 | 0 | 107.4 | L238 S242 | L238-E240 PolarHBondContact O-N 3.37Å; E240-S242 PolarHBondContact O-N 2.91Å |
| 241 | P | 51.8 | Low | 50.5 | Low | 122 Ų | 122 | 147.2 Ų | 147.2 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | | | trans | -63.6 | 105 | 171.2 | 26.2 | -30 | 0 | 0 | 0 | 107 | I243 | P241-I243 PolarHBondContact O-N 3.18Å; P241-I243 VanDerWaalsContact O-N 3.09Å |
| 242 | S | 46.6 | Very low | 50.4 | Low | 78 Ų | 78 | 140.8 Ų | 140.8 | 55% | 0.545 | 75% | 0.754 | S | S | . | * | | | trans | -54.7 | 117.6 | 173.6 | 177.9 | 0 | 0 | 0 | 0 | 108.4 | E240 H244 | E240-S242 PolarHBondContact O-N 2.91Å; S242-H244 VanDerWaalsContact CB-O 3.26Å; S242-H244 WeakPolarHBondContact CB-O 3.21Å; S242-H244 CarbonylContact O-C 3.51Å; S242-H244 PolarHBondContact O-N 2.97Å; S242-H244 PolarHBondContact OG-N 3.32Å; S242-H244 PolarHBondContact OG-O 2.91Å |
| 243 | I | 60.3 | Low | 50.4 | Low | 152 Ų | 152 | 134.8 Ų | 134.8 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -58.7 | -5 | 171.1 | 49 | 168.4 | 0 | 0 | 0 | 113.4 | P241 | P241-I243 PolarHBondContact O-N 3.18Å; P241-I243 VanDerWaalsContact O-N 3.09Å |
| 244 | H | 54.8 | Low | 50.6 | Low | 135 Ų | 135 | 133.1 Ų | 133.1 | 63% | 0.625 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -118.3 | 113 | 170.1 | -51.8 | -47.9 | 0 | 0 | 0 | 105.7 | S242 | S242-H244 VanDerWaalsContact CB-O 3.26Å; S242-H244 WeakPolarHBondContact CB-O 3.21Å; S242-H244 CarbonylContact O-C 3.51Å; S242-H244 PolarHBondContact O-N 2.97Å; S242-H244 PolarHBondContact OG-N 3.32Å; S242-H244 PolarHBondContact OG-O 2.91Å |
| 245 | G | 40.9 | Very low | 50.9 | Low | 67 Ų | 67 | 134.7 Ų | 134.7 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | | | trans | -43.2 | 150 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 246 | L | 56.9 | Low | 51 | Low | 166 Ų | 166 | 139.5 Ų | 139.5 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | | | trans | -42.3 | 124.7 | 178.7 | -74.2 | 161.7 | 0 | 0 | 0 | 110.2 | D248 | L246-D248 PolarHBondContact O-N 3.25Š|
| 247 | P | 53.8 | Low | 50.6 | Low | 116 Ų | 116 | 137.8 Ų | 137.8 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | | | trans | -65.8 | 129.4 | 176.2 | 26.8 | -30.7 | 0 | 0 | 0 | 108.2 | | |
| 248 | D | 45.4 | Very low | 50.4 | Low | 113 Ų | 113 | 141.3 Ų | 141.3 | 60% | 0.604 | 76% | 0.76 | S | S | * | * | | | trans | -47.9 | 127.6 | 176.1 | -107.5 | -34 | 0 | 0 | 0 | 110.6 | L246 E250 I251 | L246-D248 PolarHBondContact O-N 3.25Å; D248-E250 PolarHBondContact O-N 3.13Å; D248-E250 VanDerWaalsContact O-N 3.08Å; D248-I251 HydrophobicContact CB-CD1 3.68Å; D248-I251 HydrophobicContact CB-CG1 3.72Å; D248-I251 PolarHBondContact O-N 2.77Å |
| 249 | P | 60.2 | Low | 50.2 | Low | 127 Ų | 127 | 143.4 Ų | 143.4 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -9.9 | -178 | 25.5 | -32.4 | 0 | 0 | 0 | 113.6 | | |
| 250 | E | 54.5 | Low | 49.9 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -12.5 | 179.6 | -63 | -169.3 | 169.2 | 0 | 0 | 113.7 | D248 S252 | D248-E250 PolarHBondContact O-N 3.13Å; D248-E250 VanDerWaalsContact O-N 3.08Å; E250-S252 PolarHBondContact O-N 3.41Å; E250-S252 VanDerWaalsContact O-N 3.12Å |
| 251 | I | 48.8 | Very low | 49.3 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 61% | 0.61 | 76% | 0.762 | S | S | * | * | | | trans | -93.5 | 75.5 | -178.2 | -34.1 | 171.6 | 0 | 0 | 0 | 109.5 | D248 S253 | D248-I251 HydrophobicContact CB-CD1 3.68Å; D248-I251 HydrophobicContact CB-CG1 3.72Å; D248-I251 PolarHBondContact O-N 2.77Å; I251-S253 PolarHBondContact O-N 3.16Å |
| 252 | S | 44.5 | Very low | 48.9 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | trans | -60.4 | 76.4 | 163.1 | 160.4 | 0 | 0 | 0 | 0 | 109.9 | E250 K254 | E250-S252 PolarHBondContact O-N 3.41Å; E250-S252 VanDerWaalsContact O-N 3.12Å; S252-K254 PolarHBondContact O-N 2.83Å |
| 253 | S | 53.5 | Low | 48.7 | Very low | 103 Ų | 103 | 147.7 Ų | 147.7 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | trans | -84.8 | 105.2 | 173.9 | 66.3 | 0 | 0 | 0 | 0 | 109.3 | I251 | I251-S253 PolarHBondContact O-N 3.16Š|
| 254 | K | 53.4 | Low | 47.7 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | | | trans | -49.9 | 139.1 | 172.7 | -68.9 | 177.3 | 177.6 | 176.6 | 0 | 109.9 | S252 R256 | S252-K254 PolarHBondContact O-N 2.83Å; K254-R256 PolarHBondContact O-N 2.99Å |
| 255 | P | 50.2 | Low | 47 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | | | trans | -57.5 | 117.6 | 177 | 22.4 | -31.2 | 0 | 0 | 0 | 109.8 | T257 | P255-T257 PolarHBondContact O-N 3Å; P255-T257 VanDerWaalsContact O-N 3.11Å |
| 256 | R | 47.4 | Very low | 47 | Very low | 233 Ų | 233 | 153.4 Ų | 153.4 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -65.2 | 110.2 | 177.5 | -173.7 | 173.6 | -176.9 | 152.6 | -0.2 | 108.9 | K254 R258 | K254-R256 PolarHBondContact O-N 2.99Å; R256-R258 PolarHBondContact O-N 3.12Å |
| 257 | T | 44 | Very low | 46 | Very low | 135 Ų | 135 | 152.5 Ų | 152.5 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | | | trans | -57 | 109.1 | 171.7 | 43.1 | 0 | 0 | 0 | 0 | 110.2 | P255 | P255-T257 PolarHBondContact O-N 3Å; P255-T257 VanDerWaalsContact O-N 3.11Å |
| 258 | R | 43.4 | Very low | 45.5 | Very low | 241 Ų | 241 | 151.8 Ų | 151.8 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 122.9 | 169.5 | -66.6 | 179.6 | 110.1 | 165.5 | 3.1 | 108.2 | R256 | R256-R258 PolarHBondContact O-N 3.12Š|
| 259 | K | 43.9 | Very low | 45.3 | Very low | 195 Ų | 195 | 154.7 Ų | 154.7 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 142.8 | 170.2 | -71.6 | -176.8 | 176.4 | -178.8 | 0 | 109.4 | T261 | K259-T261 PolarHBondContact O-N 3.05Š|
| 260 | P | 41.8 | Very low | 44.1 | Very low | 122 Ų | 122 | 154.8 Ų | 154.8 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 132.2 | 176.9 | 25.3 | -31.3 | 0 | 0 | 0 | 110.7 | Q262 | P260-Q262 PolarHBondContact O-N 3.08Š|
| 261 | T | 39.1 | Very low | 43.4 | Very low | 114 Ų | 114 | 153.1 Ų | 153.1 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | | | trans | -65.6 | 112.9 | 174.3 | -46 | 0 | 0 | 0 | 0 | 109.1 | K259 | K259-T261 PolarHBondContact O-N 3.05Š|
| 262 | Q | 43.8 | Very low | 42.9 | Very low | 171 Ų | 171 | 156.1 Ų | 156.1 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | | | trans | -78.6 | 117.3 | 166 | -70.2 | -178.8 | -7.1 | 0 | 0 | 107.9 | P260 L264 | P260-Q262 PolarHBondContact O-N 3.08Å; Q262-L264 PolarHBondContact O-N 3.34Å |
| 263 | F | 42.3 | Very low | 42.8 | Very low | 194 Ų | 194 | 157.1 Ų | 157.1 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | | | trans | -75.2 | 108.1 | 171 | -67.8 | -85.5 | 0 | 0 | 0 | 108.5 | Q265 | F263-Q265 PolarHBondContact O-N 2.75Š|
| 264 | L | 39.4 | Very low | 42.1 | Very low | 141 Ų | 141 | 158.1 Ų | 158.1 | 74% | 0.738 | 82% | 0.823 | S | S | * | * | | | trans | -76.1 | 115.2 | 163.6 | -108.6 | 85.9 | 0 | 0 | 0 | 108.2 | Q262 L266 | Q262-L264 PolarHBondContact O-N 3.34Å; L264-L266 PolarHBondContact O-N 3.18Å |
| 265 | Q | 41 | Very low | 41.1 | Very low | 180 Ų | 180 | 154.3 Ų | 154.3 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | | | trans | -82 | 102.6 | 168.9 | -172.2 | 166.7 | -2.8 | 0 | 0 | 107.9 | F263 | F263-Q265 PolarHBondContact O-N 2.75Š|
| 266 | L | 38.9 | Very low | 40.4 | Very low | 153 Ų | 153 | 154.9 Ų | 154.9 | 80% | 0.801 | 81% | 0.814 | S | S | * | * | | | trans | -87 | 121 | 172.3 | -70.9 | 172.5 | 0 | 0 | 0 | 108.9 | L264 A268 | L264-L266 PolarHBondContact O-N 3.18Å; L266-A268 PolarHBondContact O-N 3.23Å |
| 267 | N | 36.9 | Very low | 40.2 | Very low | 147 Ų | 147 | 151.3 Ų | 151.3 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | | | trans | -68.3 | 125.8 | 174.6 | -76.1 | -27 | 0 | 0 | 0 | 109.9 | Q269 | N267-Q269 PolarHBondContact O-N 3.47Š|
| 268 | A | 42.4 | Very low | 40 | Very low | 100 Ų | 100 | 156.9 Ų | 156.9 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | | | trans | -87.2 | 89.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L266 | L266-A268 PolarHBondContact O-N 3.23Š|
| 269 | Q | 42.6 | Very low | 40 | Very low | 174 Ų | 174 | 154.2 Ų | 154.2 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | | | trans | -141.4 | 128.1 | 160.1 | -69.7 | -167.7 | 3.3 | 0 | 0 | 110.8 | N267 | N267-Q269 PolarHBondContact O-N 3.47Š|
| 270 | T | 35.2 | Very low | 40 | Very low | 130 Ų | 130 | 149.9 Ų | 149.9 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | | | trans | 64.2 | 100.6 | 155.5 | 50.9 | 0 | 0 | 0 | 0 | 119 | | |
| 271 | T | 38.4 | Very low | 40 | Very low | 147 Ų | 147 | 150.6 Ų | 150.6 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | | | trans | -157 | 120.7 | 131.1 | -43.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 272 | E | 39 | Very low | 39.9 | Very low | 182 Ų | 182 | 154.6 Ų | 154.6 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | | | trans | -72.2 | 145.9 | 175.2 | -64.7 | -145.4 | 150.8 | 0 | 0 | 112.1 | | |
| 273 | P | 42.2 | Very low | 39.9 | Very low | 130 Ų | 130 | 153.4 Ų | 153.4 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | | | trans | -88.4 | 111 | 178.7 | 33.1 | -28.8 | 0 | 0 | 0 | 111.5 | | |
| 274 | S | 39.5 | Very low | 39.9 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | | | trans | -81.2 | 150.2 | 161.6 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 275 | C | 31.8 | Very low | 40.4 | Very low | 103 Ų | 103 | 149 Ų | 149 | 70% | 0.696 | 81% | 0.805 | S | S | * | * | | | trans | -71.2 | 166.4 | -160 | -159.4 | 0 | 0 | 0 | 0 | 116 | | |
| 276 | N | 36.6 | Very low | 40.6 | Very low | 136 Ų | 136 | 149.4 Ų | 149.4 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | 75.6 | 98.6 | 164.2 | -66.8 | -33.1 | 0 | 0 | 0 | 117.9 | | |
| 277 | D | 42.9 | Very low | 40.4 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | | -174.6 | 136.3 | 109 | -95.4 | -27.9 | 0 | 0 | 0 | 112.2 | K279 | D277-K279 PolarHBondContact O-N 2.88Š|
| 278 | R | 39.8 | Very low | 40.5 | Very low | 252 Ų | 252 | 147 Ų | 147 | 95% | 0.951 | 79% | 0.786 | S | S | * | * | | | trans | -54.8 | 103.9 | 176.1 | -72.4 | 171.6 | 168.4 | 169.9 | -3.9 | 111.2 | | |
| 279 | K | 43.2 | Very low | 40.2 | Very low | 185 Ų | 185 | 152.6 Ų | 152.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -136.8 | 142.6 | 158.7 | -82.6 | -176.3 | -179.9 | 171.1 | 0 | 110.4 | D277 T281 | D277-K279 PolarHBondContact O-N 2.88Å; K279-T281 PolarHBondContact O-N 3.48Å |
| 280 | P | 44.3 | Very low | 40.3 | Very low | 105 Ų | 105 | 154.4 Ų | 154.4 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | | | trans | -61.4 | 124.6 | -176.1 | 25.4 | -32.3 | 0 | 0 | 0 | 109.7 | Y282 | P280-Y282 PolarHBondContact O-N 2.85Š|
| 281 | T | 40.3 | Very low | 40.9 | Very low | 136 Ų | 136 | 154.9 Ų | 154.9 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | | | trans | -58.2 | 99.8 | -179.4 | -44.8 | 0 | 0 | 0 | 0 | 109.9 | K279 L283 | K279-T281 PolarHBondContact O-N 3.48Å; T281-L283 PolarHBondContact O-N 2.85Å |
| 282 | Y | 38.3 | Very low | 41.3 | Very low | 198 Ų | 198 | 151.3 Ų | 151.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -64.2 | 127.3 | 160.4 | -69.3 | -82.8 | 0 | 0 | 0 | 107.2 | P280 T284 | P280-Y282 PolarHBondContact O-N 2.85Å; Y282-T284 VanDerWaalsContact C-N 3.32Å; Y282-T284 PolarHBondContact O-N 2.88Å |
| 283 | L | 42.7 | Very low | 41.4 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | trans | -59 | 95.2 | 173.4 | -77 | 160.8 | 0 | 0 | 0 | 108.9 | T281 | T281-L283 PolarHBondContact O-N 2.85Š|
| 284 | T | 43.5 | Very low | 41.7 | Very low | 93 Ų | 93 | 149.4 Ų | 149.4 | 57% | 0.571 | 74% | 0.744 | S | S | * | * | | | trans | -70.5 | 134.5 | 164.9 | 54.9 | 0 | 0 | 0 | 0 | 107.6 | Y282 Q286 S287 | Y282-T284 VanDerWaalsContact C-N 3.32Å; Y282-T284 PolarHBondContact O-N 2.88Å; T284-Q286 PolarHBondContact O-N 2.75Å; T284-S287 PolarHBondContact O-N 3.22Å; T284-S287 PolarHBondContact O-OG 3.39Å |
| 285 | T | 48.7 | Very low | 42.1 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 93% | 0.926 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 22.4 | -178.3 | 49.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 286 | Q | 44.9 | Very low | 42.4 | Very low | 188 Ų | 188 | 148.9 Ų | 148.9 | 88% | 0.879 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 1.2 | 177.5 | -70.8 | -173.9 | -12.5 | 0 | 0 | 113 | T284 | T284-Q286 PolarHBondContact O-N 2.75Š|
| 287 | S | 36.3 | Very low | 42.5 | Very low | 55 Ų | 55 | 151.1 Ų | 151.1 | 39% | 0.385 | 73% | 0.728 | S | S | . | * | S | Bend | trans | -115.3 | 133.4 | 175.5 | 56.2 | 0 | 0 | 0 | 0 | 111.7 | T284 | T284-S287 PolarHBondContact O-N 3.22Å; T284-S287 PolarHBondContact O-OG 3.39Å |
| 288 | Y | 38 | Very low | 42.4 | Very low | 195 Ų | 195 | 150.3 Ų | 150.3 | 77% | 0.765 | 72% | 0.719 | S | S | * | * | | | trans | 80.6 | 61.6 | 167.6 | -46.2 | -76.2 | 0 | 0 | 0 | 118.1 | | |
| 289 | Y | 37 | Very low | 42.4 | Very low | 217 Ų | 217 | 146 Ų | 146 | 85% | 0.851 | 71% | 0.714 | S | S | * | * | | | | -80.8 | 112.5 | 126.2 | -75.7 | -78.8 | 0 | 0 | 0 | 106.5 | L291 | Y289-L291 PolarHBondContact O-N 2.82Š|
| 290 | Y | 43 | Very low | 42.2 | Very low | 212 Ų | 212 | 148.2 Ų | 148.2 | 83% | 0.831 | 72% | 0.717 | S | S | * | * | | | trans | -66.9 | 80.8 | 163.7 | -147.7 | -87.6 | 0 | 0 | 0 | 106.4 | P292 | Y290-P292 WeakPolarHBondContact O-CD 3.07Š|
| 291 | L | 48 | Very low | 41.7 | Very low | 140 Ų | 140 | 147.8 Ų | 147.8 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | | | trans | -68.6 | 119.6 | 156.9 | -100.2 | 81.7 | 0 | 0 | 0 | 104.8 | Y289 D293 | Y289-L291 PolarHBondContact O-N 2.82Å; L291-D293 PolarHBondContact O-N 2.95Å |
| 292 | P | 46.4 | Very low | 41.5 | Very low | 71 Ų | 71 | 147.5 Ų | 147.5 | 46% | 0.461 | 72% | 0.717 | S | S | . | * | | | trans | -59.6 | 115.6 | 167.3 | -7 | 21 | 0 | 0 | 0 | 106.1 | Y290 F294 | Y290-P292 WeakPolarHBondContact O-CD 3.07Å; P292-F294 HydrophobicContact CB-CD2 4.07Å; P292-F294 HydrophobicContact CB-CE1 4.25Å; P292-F294 HydrophobicContact CB-CE2 3.58Å; P292-F294 HydrophobicContact CB-CZ 3.68Å; P292-F294 HydrophobicContact CG-CE2 3.74Å; P292-F294 HydrophobicContact CG-CZ 3.94Å; P292-F294 WeakPolarHBondContact O-CD2 3.31Å; P292-F294 PolarHBondContact O-N 3.37Å |
| 293 | D | 42 | Very low | 41.6 | Very low | 94 Ų | 94 | 146.3 Ų | 146.3 | 50% | 0.503 | 72% | 0.718 | S | S | . | * | | | trans | -73.4 | 78.7 | 178.9 | -164.9 | 5 | 0 | 0 | 0 | 108 | L291 T295 N296 | L291-D293 PolarHBondContact O-N 2.95Å; D293-T295 PolarHBondContact O-N 2.73Å; D293-T295 PolarHBondContact OD1-OG1 3.22Å; D293-N296 PolarHBondContact O-N 3.41Å; D293-N296 PolarHBondContact OD2-ND2 3.11Å |
| 294 | F | 48.2 | Very low | 41.1 | Very low | 178 Ų | 178 | 145.5 Ų | 145.5 | 78% | 0.781 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -3.2 | 175.8 | -65.5 | -72 | 0 | 0 | 0 | 112.5 | P292 | P292-F294 HydrophobicContact CB-CD2 4.07Å; P292-F294 HydrophobicContact CB-CE1 4.25Å; P292-F294 HydrophobicContact CB-CE2 3.58Å; P292-F294 HydrophobicContact CB-CZ 3.68Å; P292-F294 HydrophobicContact CG-CE2 3.74Å; P292-F294 HydrophobicContact CG-CZ 3.94Å; P292-F294 WeakPolarHBondContact O-CD2 3.31Å; P292-F294 PolarHBondContact O-N 3.37Å |
| 295 | T | 47.9 | Very low | 40.7 | Very low | 125 Ų | 125 | 147.8 Ų | 147.8 | 77% | 0.767 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -7.1 | 175.9 | 28.6 | 0 | 0 | 0 | 0 | 113.9 | D293 R297 | D293-T295 PolarHBondContact O-N 2.73Å; D293-T295 PolarHBondContact OD1-OG1 3.22Å; T295-R297 PolarHBondContact O-N 2.8Å |
| 296 | N | 38.1 | Very low | 39.8 | Very low | 92 Ų | 92 | 149.2 Ų | 149.2 | 49% | 0.492 | 73% | 0.73 | S | S | . | * | | | trans | -93.3 | 78.7 | 174.4 | -108.4 | -48.8 | 0 | 0 | 0 | 112.1 | D293 H298 | D293-N296 PolarHBondContact O-N 3.41Å; D293-N296 PolarHBondContact OD2-ND2 3.11Å; N296-H298 PolarHBondContact O-N 3.25Å; N296-H298 PolarHBondContact OD1-CD2 2.76Å |
| 297 | R | 38.8 | Very low | 39.2 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | | | trans | -70.5 | 59.4 | 154.1 | -72.2 | -173.2 | 179.4 | -170.8 | -0.8 | 109.5 | T295 L299 M318 | T295-R297 PolarHBondContact O-N 2.8Å; R297-L299 PolarHBondContact O-N 3.01Å; R297-M318 VanDerWaalsContact NH1-CE 3.33Å |
| 298 | H | 41.4 | Very low | 38.9 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 65% | 0.653 | 74% | 0.738 | S | S | * | * | | | trans | -86.1 | 92 | 168.9 | -103.3 | -42.1 | 0 | 0 | 0 | 109.2 | N296 R300 | N296-H298 PolarHBondContact O-N 3.25Å; N296-H298 PolarHBondContact OD1-CD2 2.76Å; H298-R300 VanDerWaalsContact C-N 3.34Å; H298-R300 PolarHBondContact O-N 2.97Å |
| 299 | L | 38.9 | Very low | 38.9 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 85% | 0.848 | 74% | 0.741 | S | S | * | * | | | trans | -52.3 | 99.9 | 151.9 | -77.6 | 96.2 | 0 | 0 | 0 | 108.4 | R297 | R297-L299 PolarHBondContact O-N 3.01Š|
| 300 | R | 40.5 | Very low | 38.8 | Very low | 232 Ų | 232 | 142 Ų | 142 | 88% | 0.875 | 74% | 0.736 | S | S | * | * | | | trans | -141 | 123 | 160.4 | -89 | -171.1 | 170.7 | 173.8 | -2.3 | 104.9 | H298 | H298-R300 VanDerWaalsContact C-N 3.34Å; H298-R300 PolarHBondContact O-N 2.97Å |
| 301 | S | 33.7 | Very low | 38.6 | Very low | 96 Ų | 96 | 140.4 Ų | 140.4 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | | | cis | -164.2 | 133.2 | -5.9 | 169.1 | 0 | 0 | 0 | 0 | 101.5 | E303 | S301-E303 PolarHBondContact O-N 3.29Å; S301-E303 VanDerWaalsContact O-N 3.12Å |
| 302 | P | 35.8 | Very low | 38.1 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | | | trans | -82.7 | 92.1 | -179.3 | 32.4 | -27.8 | 0 | 0 | 0 | 108.5 | | |
| 303 | E | 38.8 | Very low | 37.5 | Very low | 173 Ų | 173 | 146.9 Ų | 146.9 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | | | trans | -84.9 | 113.7 | 158.5 | -99.1 | 172.4 | 156.7 | 0 | 0 | 108.2 | S301 | S301-E303 PolarHBondContact O-N 3.29Å; S301-E303 VanDerWaalsContact O-N 3.12Å |
| 304 | T | 33 | Very low | 37.4 | Very low | 129 Ų | 129 | 145.7 Ų | 145.7 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 67.8 | 74.2 | 154.3 | 51.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 305 | V | 34.5 | Very low | 37 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | | | trans | -136 | 103.2 | 132.2 | -175 | 0 | 0 | 0 | 0 | 108.4 | A307 | V305-A307 PolarHBondContact O-N 2.89Š|
| 306 | Q | 29.7 | Very low | 36.8 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | | | trans | -67.3 | 101.5 | 176.5 | -160.9 | 176.9 | 27.3 | 0 | 0 | 108.8 | | |
| 307 | A | 33 | Very low | 37 | Very low | 83 Ų | 83 | 150 Ų | 150 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | | | trans | -135.7 | 90.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | V305 V309 | V305-A307 PolarHBondContact O-N 2.89Å; A307-V309 PolarHBondContact O-N 3.04Å |
| 308 | H | 30 | Very low | 37 | Very low | 164 Ų | 164 | 147.6 Ų | 147.6 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | trans | -59.8 | 102.2 | 167 | -88 | -89.5 | 0 | 0 | 0 | 109.4 | | |
| 309 | V | 38.8 | Very low | 36.8 | Very low | 137 Ų | 137 | 146 Ų | 146 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | | | trans | -130.4 | 93.3 | 151.6 | -176.1 | 0 | 0 | 0 | 0 | 107.2 | A307 | A307-V309 PolarHBondContact O-N 3.04Š|
| 310 | T | 34.3 | Very low | 36.7 | Very low | 121 Ų | 121 | 145 Ų | 145 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | -56 | 124.3 | 167.7 | -43.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 311 | E | 38.5 | Very low | 36.4 | Very low | 178 Ų | 178 | 138.4 Ų | 138.4 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | -164.7 | 140.2 | 145.8 | -103.1 | -82.6 | 129.8 | 0 | 0 | 109.5 | | |
| 312 | P | 37.6 | Very low | 36.5 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 60% | 0.604 | 77% | 0.773 | S | S | * | * | | | trans | -103 | 152.2 | -153.9 | 36.6 | -27.1 | 0 | 0 | 0 | 114.1 | | |
| 313 | R | 34.2 | Very low | 36.5 | Very low | 253 Ų | 253 | 138.6 Ų | 138.6 | 96% | 0.955 | 77% | 0.766 | S | S | * | * | | | trans | 50.6 | 86.7 | 153.1 | -65 | -175.9 | -171.8 | -133.2 | 2.4 | 116.9 | | |
| 314 | G | 38.6 | Very low | 36.9 | Very low | 70 Ų | 70 | 138 Ų | 138 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | trans | -153.8 | 119.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 315 | V | 41.9 | Very low | 37.4 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | | | trans | -48.8 | 124.5 | 179.6 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | R317 | V315-R317 PolarHBondContact O-N 2.61Š|
| 316 | P | 43 | Very low | 38 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | | | trans | -73.8 | 106.6 | 177.8 | 28.1 | -28.8 | 0 | 0 | 0 | 108.6 | M318 | P316-M318 PolarHBondContact O-N 3.17Š|
| 317 | R | 41.6 | Very low | 39.3 | Very low | 236 Ų | 236 | 135.9 Ų | 135.9 | 89% | 0.891 | 75% | 0.748 | S | S | * | * | | | trans | -55.7 | 111.3 | 164.8 | -75.5 | -174.5 | 175.9 | -160.4 | 0.1 | 107.7 | V315 S319 | V315-R317 PolarHBondContact O-N 2.61Å; R317-S319 VanDerWaalsContact C-N 3.3Å; R317-S319 PolarHBondContact O-N 2.96Å |
| 318 | M | 38.3 | Very low | 40.4 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 65% | 0.645 | 73% | 0.734 | S | S | * | * | | | trans | -65.5 | 91.1 | 170.1 | -84.4 | 164.4 | 56.2 | 0 | 0 | 108.8 | R297 P316 N320 | R297-M318 VanDerWaalsContact NH1-CE 3.33Å; P316-M318 PolarHBondContact O-N 3.17Å; M318-N320 PolarHBondContact O-N 3.37Å |
| 319 | S | 38.4 | Very low | 41.9 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | | | trans | -68.3 | 112.1 | 162.5 | 23.5 | 0 | 0 | 0 | 0 | 107.8 | R317 S321 | R317-S319 VanDerWaalsContact C-N 3.3Å; R317-S319 PolarHBondContact O-N 2.96Å; S319-S321 PolarHBondContact O-N 2.81Å |
| 320 | N | 35.5 | Very low | 43.2 | Very low | 139 Ų | 139 | 133 Ų | 133 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | | | trans | -67.4 | 74.7 | 170.5 | -66.6 | -26.2 | 0 | 0 | 0 | 109.1 | M318 T322 | M318-N320 PolarHBondContact O-N 3.37Å; N320-T322 VanDerWaalsContact C-N 3.32Å; N320-T322 PolarHBondContact O-N 3.38Å |
| 321 | S | 34.6 | Very low | 44.4 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 66% | 0.657 | 72% | 0.715 | S | S | * | * | | | trans | -70.9 | 93 | 166 | 175.1 | 0 | 0 | 0 | 0 | 107.2 | S319 V323 | S319-S321 PolarHBondContact O-N 2.81Å; S321-V323 VanDerWaalsContact C-N 3.29Å; S321-V323 PolarHBondContact O-N 3.28Å |
| 322 | T | 36.9 | Very low | 45.7 | Very low | 116 Ų | 116 | 131 Ų | 131 | 71% | 0.712 | 70% | 0.702 | S | S | * | * | | | trans | -66.9 | 93.5 | 165.7 | 47.4 | 0 | 0 | 0 | 0 | 107.4 | N320 L324 | N320-T322 VanDerWaalsContact C-N 3.32Å; N320-T322 PolarHBondContact O-N 3.38Å; T322-L324 PolarHBondContact O-N 2.98Å |
| 323 | V | 34.6 | Very low | 46.4 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 69% | 0.685 | 71% | 0.709 | S | S | * | * | | | trans | -66.1 | 102 | 168.9 | 180 | 0 | 0 | 0 | 0 | 106.8 | S321 I325 | S321-V323 VanDerWaalsContact C-N 3.29Å; S321-V323 PolarHBondContact O-N 3.28Å; V323-I325 PolarHBondContact O-N 3.34Å |
| 324 | L | 46.9 | Very low | 47.4 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 84% | 0.843 | 70% | 0.695 | S | S | * | * | | | trans | -71.6 | 120.1 | 171.1 | -66.4 | 173.7 | 0 | 0 | 0 | 107.5 | T322 | T322-L324 PolarHBondContact O-N 2.98Š|
| 325 | I | 44.7 | Very low | 48.1 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 71% | 0.708 | 69% | 0.69 | S | S | * | * | | | trans | -98 | 124.6 | 173.4 | -47.6 | 172.2 | 0 | 0 | 0 | 106.6 | V323 V327 | V323-I325 PolarHBondContact O-N 3.34Å; I325-V327 PolarHBondContact O-N 3.42Å |
| 326 | E | 47.4 | Very low | 48.2 | Very low | 187 Ų | 187 | 128.4 Ų | 128.4 | 87% | 0.874 | 69% | 0.691 | S | S | * | * | | | trans | -69.5 | 113 | 171.6 | -171.4 | 179.7 | 173.4 | 0 | 0 | 109.1 | | |
| 327 | V | 56.4 | Low | 48.4 | Very low | 82 Ų | 82 | 126.9 Ų | 126.9 | 50% | 0.497 | 70% | 0.696 | S | S | . | * | | | trans | -104.5 | 118.8 | 174.5 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | I325 S329 R331 V332 | I325-V327 PolarHBondContact O-N 3.42Å; V327-S329 PolarHBondContact O-N 3.39Å; V327-R331 HydrophobicContact CG1-CB 3.94Å; V327-V332 HydrophobicContact CG1-CG2 4.43Å |
| 328 | P | 55.6 | Low | 48.7 | Very low | 61 Ų | 61 | 119.6 Ų | 119.6 | 40% | 0.396 | 68% | 0.677 | S | S | . | * | | | trans | -54.7 | 130.5 | 175.6 | -27.8 | 35.3 | 0 | 0 | 0 | 111.6 | W330 R331 | P328-W330 HydrophobicContact CB-CG 4.42Å; P328-W330 PolarHBondContact O-N 2.96Å; P328-R331 WeakPolarHBondContact O-CB 3.18Å; P328-R331 PolarHBondContact O-N 2.86Å |
| 329 | S | 62.8 | Low | 49 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 70% | 0.699 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -55.4 | -22.3 | -170.7 | 60.2 | 0 | 0 | 0 | 0 | 115.5 | V327 R331 V332 | V327-S329 PolarHBondContact O-N 3.39Å; S329-R331 VanDerWaalsContact C-N 3.29Å; S329-R331 PolarHBondContact O-N 3.18Å; S329-V332 PolarHBondContact O-N 2.97Å |
| 330 | W | 65.5 | Low | 49.1 | Very low | 162 Ų | 162 | 122.6 Ų | 122.6 | 61% | 0.614 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -73.6 | -17.9 | 176.8 | 62.7 | -94.6 | 0 | 0 | 0 | 113.9 | P328 | P328-W330 HydrophobicContact CB-CG 4.42Å; P328-W330 PolarHBondContact O-N 2.96Å |
| 331 | R | 60.5 | Low | 49.2 | Very low | 165 Ų | 165 | 122.7 Ų | 122.7 | 62% | 0.623 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -84 | -13.5 | 174.3 | -67.2 | -169 | 176.1 | -143.2 | 1.4 | 113.2 | V327 P328 S329 I333 | V327-R331 HydrophobicContact CG1-CB 3.94Å; P328-R331 WeakPolarHBondContact O-CB 3.18Å; P328-R331 PolarHBondContact O-N 2.86Å; S329-R331 VanDerWaalsContact C-N 3.29Å; S329-R331 PolarHBondContact O-N 3.18Å; R331-I333 PolarHBondContact O-N 3.24Å |
| 332 | V | 64.2 | Low | 49.6 | Very low | 93 Ų | 93 | 124.1 Ų | 124.1 | 56% | 0.564 | 68% | 0.682 | S | S | * | * | | | trans | -83 | 99.8 | 176.5 | -173.8 | 0 | 0 | 0 | 0 | 107.9 | V327 S329 P334 | V327-V332 HydrophobicContact CG1-CG2 4.43Å; S329-V332 PolarHBondContact O-N 2.97Å; V332-P334 WeakPolarHBondContact O-CD 3.42Å |
| 333 | I | 53.7 | Low | 49.7 | Very low | 144 Ų | 144 | 124 Ų | 124 | 74% | 0.738 | 68% | 0.678 | S | S | * | * | | | trans | -84.5 | 107.6 | 171.8 | -57.7 | 175.1 | 0 | 0 | 0 | 107.1 | R331 I335 | R331-I333 PolarHBondContact O-N 3.24Å; I333-I335 PolarHBondContact O-N 3.49Å |
| 334 | P | 54.7 | Low | 49.8 | Very low | 102 Ų | 102 | 124.1 Ų | 124.1 | 66% | 0.662 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 121.5 | 173.8 | 24.9 | -30.9 | 0 | 0 | 0 | 109.1 | V332 P336 | V332-P334 WeakPolarHBondContact O-CD 3.42Å; P334-P336 WeakPolarHBondContact O-CD 3.06Å |
| 335 | I | 53.1 | Low | 49.2 | Very low | 122 Ų | 122 | 122 Ų | 122 | 63% | 0.626 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 117.1 | 173.1 | -58.4 | 174.5 | 0 | 0 | 0 | 107.5 | I333 G337 V338 | I333-I335 PolarHBondContact O-N 3.49Å; I335-G337 PolarHBondContact O-N 3.38Å; I335-V338 HydrophobicContact CB-CG2 4.06Å; I335-V338 HydrophobicContact CG2-CG2 3.89Å; I335-V338 PolarHBondContact O-N 3.16Å |
| 336 | P | 44.1 | Very low | 48.9 | Very low | 128 Ų | 128 | 120.9 Ų | 120.9 | 83% | 0.831 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 127.3 | 175.4 | -15.3 | 28.8 | 0 | 0 | 0 | 109.8 | P334 | P334-P336 WeakPolarHBondContact O-CD 3.06Š|
| 337 | G | 47.5 | Very low | 48.3 | Very low | 83 Ų | 83 | 115.5 Ų | 115.5 | 86% | 0.856 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.2 | -3.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | I335 | I335-G337 PolarHBondContact O-N 3.38Š|
| 338 | V | 48 | Very low | 47.3 | Very low | 82 Ų | 82 | 115.9 Ų | 115.9 | 50% | 0.497 | 69% | 0.69 | S | S | . | * | | | trans | -96.2 | 90.6 | 163.7 | -170.9 | 0 | 0 | 0 | 0 | 107 | I335 N340 | I335-V338 HydrophobicContact CB-CG2 4.06Å; I335-V338 HydrophobicContact CG2-CG2 3.89Å; I335-V338 PolarHBondContact O-N 3.16Å; V338-N340 VanDerWaalsContact C-N 3.27Å; V338-N340 VanDerWaalsContact CG1-OD1 3.28Å; V338-N340 WeakPolarHBondContact CG1-OD1 3.48Å; V338-N340 PolarHBondContact O-N 3Å |
| 339 | E | 43.3 | Very low | 46.6 | Very low | 169 Ų | 169 | 121.2 Ų | 121.2 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | | | trans | -62.9 | 99.9 | 159.1 | -76.6 | -178.2 | 165.9 | 0 | 0 | 106.2 | H341 | E339-H341 PolarHBondContact O-N 2.97Š|
| 340 | N | 41.5 | Very low | 45.5 | Very low | 133 Ų | 133 | 124.6 Ų | 124.6 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | | | trans | -65.3 | 86.1 | 168.6 | -74.8 | -19.7 | 0 | 0 | 0 | 107 | V338 V342 | V338-N340 VanDerWaalsContact C-N 3.27Å; V338-N340 VanDerWaalsContact CG1-OD1 3.28Å; V338-N340 WeakPolarHBondContact CG1-OD1 3.48Å; V338-N340 PolarHBondContact O-N 3Å; N340-V342 HydrophobicContact CB-CG2 4.2Å; N340-V342 PolarHBondContact O-N 3.06Å |
| 341 | H | 38.2 | Very low | 44.2 | Very low | 142 Ų | 142 | 122.8 Ų | 122.8 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | | | trans | -63.5 | 77 | 157.4 | -108.9 | -84.1 | 0 | 0 | 0 | 106.6 | E339 D343 | E339-H341 PolarHBondContact O-N 2.97Å; H341-D343 IonicContact CE1-OD2 3.37Å; H341-D343 PolarHBondContact CE1-OD2 2.77Å; H341-D343 IonicContact CG-OD2 3.85Å; H341-D343 VanDerWaalsContact ND1-CG 3.28Å; H341-D343 IonicContact ND1-OD1 3.51Å; H341-D343 IonicContact ND1-OD2 2.73Å; H341-D343 PolarHBondContact ND1-OD2 3.03Å; H341-D343 PolarHBondContact O-N 2.87Å |
| 342 | V | 42.7 | Very low | 43.3 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 75% | 0.745 | 74% | 0.736 | S | S | * | * | | | trans | -78.8 | 66.4 | 157.2 | -169.9 | 0 | 0 | 0 | 0 | 105.4 | N340 C344 | N340-V342 HydrophobicContact CB-CG2 4.2Å; N340-V342 PolarHBondContact O-N 3.06Å; V342-C344 PolarHBondContact O-N 3.43Å; V342-C344 VanDerWaalsContact O-N 3.11Å |
| 343 | D | 37.6 | Very low | 42.2 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | | | trans | -66.4 | 110 | 159.9 | -81.7 | -29.8 | 0 | 0 | 0 | 105.6 | H341 S345 | H341-D343 IonicContact CE1-OD2 3.37Å; H341-D343 PolarHBondContact CE1-OD2 2.77Å; H341-D343 IonicContact CG-OD2 3.85Å; H341-D343 VanDerWaalsContact ND1-CG 3.28Å; H341-D343 IonicContact ND1-OD1 3.51Å; H341-D343 IonicContact ND1-OD2 2.73Å; H341-D343 PolarHBondContact ND1-OD2 3.03Å; H341-D343 PolarHBondContact O-N 2.87Å; D343-S345 PolarHBondContact O-N 3.09Å |
| 344 | C | 36.6 | Very low | 41.2 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 78% | 0.777 | 75% | 0.753 | S | S | * | * | | | trans | -63.9 | 79.3 | 173.3 | -148.5 | 0 | 0 | 0 | 0 | 107.7 | V342 C346 | V342-C344 PolarHBondContact O-N 3.43Å; V342-C344 VanDerWaalsContact O-N 3.11Å; C344-C346 PolarHBondContact O-N 2.88Å |
| 345 | S | 34.6 | Very low | 40.6 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | | | trans | -79.4 | 73.6 | 173.2 | 55 | 0 | 0 | 0 | 0 | 109 | D343 | D343-S345 PolarHBondContact O-N 3.09Š|
| 346 | C | 38.3 | Very low | 40.1 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | -113.4 | 113.3 | 163.1 | -79.1 | 0 | 0 | 0 | 0 | 108.4 | C344 | C344-C346 PolarHBondContact O-N 2.88Š|
| 347 | G | 35.3 | Very low | 39.9 | Very low | 74 Ų | 74 | 131.1 Ų | 131.1 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | | | trans | 91.1 | 76.2 | 148.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 348 | A | 35.9 | Very low | 39.3 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | | 55.2 | 118.3 | 120.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 349 | K | 39.7 | Very low | 39 | Very low | 173 Ų | 173 | 138.8 Ų | 138.8 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | trans | 105 | 132.9 | 144.3 | -50.5 | -161.7 | 179.6 | -179.2 | 0 | 116.4 | | |
| 350 | H | 40.5 | Very low | 38.8 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | | | trans | 76.6 | 100.8 | 170.2 | -41.1 | -73.9 | 0 | 0 | 0 | 112.5 | | |
| 351 | S | 37.6 | Very low | 38.6 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | | | | -169.8 | 141.5 | 76.8 | -57.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 352 | K | 42.7 | Very low | 38.7 | Very low | 202 Ų | 202 | 145.5 Ų | 145.5 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | | | trans | -77.1 | 165.5 | -178.1 | -66.5 | 170.6 | 174.2 | 176.3 | 0 | 112.1 | | |
| 353 | S | 40.1 | Very low | 38.6 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | trans | 88.2 | 130 | 167.8 | 86.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 354 | C | 33.2 | Very low | 38.7 | Very low | 122 Ų | 122 | 150.9 Ų | 150.9 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | cis | -164.2 | 142.6 | -3.2 | -145.2 | 0 | 0 | 0 | 0 | 106.3 | | |
| 355 | P | 41 | Very low | 38.7 | Very low | 117 Ų | 117 | 151.9 Ų | 151.9 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | trans | -94.7 | 136.6 | 177 | 34.7 | -28 | 0 | 0 | 0 | 110.7 | | |
| 356 | K | 43.3 | Very low | 39 | Very low | 188 Ų | 188 | 153.1 Ų | 153.1 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | | | trans | -169.1 | 118.7 | 153.2 | -118.6 | 163.7 | 179.7 | 174.9 | 0 | 113.2 | | |
| 357 | K | 40.2 | Very low | 39.1 | Very low | 182 Ų | 182 | 155.5 Ų | 155.5 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | 55.6 | 111.1 | 136.2 | -63.2 | -171.9 | 179.5 | -164.7 | 0 | 117.6 | | |
| 358 | H | 35.4 | Very low | 39.2 | Very low | 169 Ų | 169 | 159.1 Ų | 159.1 | 78% | 0.782 | 80% | 0.801 | S | S | * | * | | | | 67 | 102.5 | 87.1 | -156.4 | -50.9 | 0 | 0 | 0 | 112.5 | | |
| 359 | Q | 40.2 | Very low | 39.1 | Very low | 157 Ų | 157 | 161 Ų | 161 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | | 174.8 | 138.8 | 119.3 | -100.8 | -176.1 | -21.7 | 0 | 0 | 112.3 | | |
| 360 | D | 40.8 | Very low | 39.1 | Very low | 118 Ų | 118 | 160.8 Ų | 160.8 | 63% | 0.631 | 81% | 0.81 | S | S | * | * | | | trans | 65.6 | 110.2 | 141 | -73 | -45.8 | 0 | 0 | 0 | 121.3 | R362 | D360-R362 PolarHBondContact O-N 3.47Š|
| 361 | R | 37.2 | Very low | 38.9 | Very low | 232 Ų | 232 | 161 Ų | 161 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | | | | 23.4 | 99.3 | 112.8 | -88.9 | -176.7 | 159.6 | 178.2 | -3.1 | 114.1 | | |
| 362 | R | 39.9 | Very low | 38.6 | Very low | 235 Ų | 235 | 160.6 Ų | 160.6 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | | | trans | -150.6 | 117.5 | 136.3 | -104.5 | 165.9 | -152.6 | -161 | 6.6 | 109.3 | D360 L364 | D360-R362 PolarHBondContact O-N 3.47Å; R362-L364 PolarHBondContact O-N 2.92Å |
| 363 | K | 39.5 | Very low | 38.1 | Very low | 208 Ų | 208 | 157.7 Ų | 157.7 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | | | trans | -54.8 | 121.4 | 160.9 | -68.7 | 178.8 | 173.1 | -175.7 | 0 | 107.7 | | |
| 364 | L | 40.3 | Very low | 37.9 | Very low | 142 Ų | 142 | 159.5 Ų | 159.5 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | | | trans | -128.5 | 83.9 | 158.5 | -101.9 | 142 | 0 | 0 | 0 | 105.9 | R362 D366 | R362-L364 PolarHBondContact O-N 2.92Å; L364-D366 HydrophobicContact CD2-CB 4.31Å; L364-D366 PolarHBondContact O-N 3.49Å |
| 365 | T | 37.7 | Very low | 38.1 | Very low | 136 Ų | 136 | 162.4 Ų | 162.4 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | | | trans | -62.5 | 107.2 | 141.4 | 39.4 | 0 | 0 | 0 | 0 | 106 | | |
| 366 | D | 39.7 | Very low | 37.9 | Very low | 143 Ų | 143 | 168.1 Ų | 168.1 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | | | trans | -134.5 | 129 | 155.1 | -139.3 | -12.3 | 0 | 0 | 0 | 109.1 | L364 D368 | L364-D366 HydrophobicContact CD2-CB 4.31Å; L364-D366 PolarHBondContact O-N 3.49Å; D366-D368 PolarHBondContact O-N 3.43Å |
| 367 | M | 40.7 | Very low | 37.4 | Very low | 164 Ų | 164 | 162.7 Ų | 162.7 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | trans | -77.6 | 107.5 | -174.3 | -77.4 | -96.6 | 79.2 | 0 | 0 | 108.3 | | |
| 368 | D | 37.4 | Very low | 37.2 | Very low | 150 Ų | 150 | 162.3 Ų | 162.3 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | -116.2 | 114 | 151 | -96 | -35.2 | 0 | 0 | 0 | 109.5 | D366 L370 | D366-D368 PolarHBondContact O-N 3.43Å; D368-L370 PolarHBondContact O-N 2.91Å |
| 369 | T | 34.1 | Very low | 37.1 | Very low | 131 Ų | 131 | 164.9 Ų | 164.9 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -52.9 | 89.8 | 173.8 | 37.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 370 | L | 38.7 | Very low | 36.8 | Very low | 168 Ų | 168 | 162.5 Ų | 162.5 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | | | trans | -105.3 | 97.4 | 158.7 | -95.3 | 157 | 0 | 0 | 0 | 108.9 | D368 S372 | D368-L370 PolarHBondContact O-N 2.91Å; L370-S372 PolarHBondContact O-N 3.35Å |
| 371 | K | 36.4 | Very low | 36.3 | Very low | 175 Ų | 175 | 161.6 Ų | 161.6 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | | | trans | -3.8 | 110.4 | 164.3 | -71 | 175.5 | 177.5 | 177.2 | 0 | 114.7 | H373 | K371-H373 PolarHBondContact O-N 3.29Š|
| 372 | S | 32.3 | Very low | 36.2 | Very low | 114 Ų | 114 | 158.7 Ų | 158.7 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -65.7 | 69.6 | 160.7 | 57.1 | 0 | 0 | 0 | 0 | 111.1 | L370 | L370-S372 PolarHBondContact O-N 3.35Š|
| 373 | H | 33 | Very low | 36 | Very low | 141 Ų | 141 | 154.4 Ų | 154.4 | 65% | 0.653 | 81% | 0.805 | S | S | * | * | | | trans | -141.9 | 104 | 164.9 | -58.2 | -61.2 | 0 | 0 | 0 | 105.1 | K371 | K371-H373 PolarHBondContact O-N 3.29Š|
| 374 | N | 34.9 | Very low | 35.7 | Very low | 158 Ų | 158 | 150.5 Ų | 150.5 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 163.9 | 32.9 | 154.1 | -82 | -23.8 | 0 | 0 | 0 | 113.3 | | |
| 375 | L | 37.5 | Very low | 35.5 | Very low | 183 Ų | 183 | 152 Ų | 152 | 96% | 0.958 | 81% | 0.806 | S | S | * | * | | | trans | -143.7 | 53.7 | 164.5 | -67.3 | 176.8 | 0 | 0 | 0 | 110.2 | | |
| 376 | R | 35.9 | Very low | 35.5 | Very low | 237 Ų | 237 | 152.6 Ų | 152.6 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -108.4 | 105.1 | 163 | -172.4 | 177.5 | -73.1 | -176.2 | -2.5 | 107.2 | L378 | R376-L378 PolarHBondContact O-N 3.41Š|
| 377 | A | 34 | Very low | 35.1 | Very low | 74 Ų | 74 | 150.2 Ų | 150.2 | 61% | 0.612 | 80% | 0.799 | S | S | * | * | | | trans | 34.7 | 84.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | R379 | A377-R379 PolarHBondContact O-N 2.98Š|
| 378 | L | 35.5 | Very low | 34.9 | Very low | 173 Ų | 173 | 149.7 Ų | 149.7 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -73.1 | 46.2 | 156 | -72.4 | 174.4 | 0 | 0 | 0 | 110.9 | R376 | R376-L378 PolarHBondContact O-N 3.41Š|
| 379 | R | 33.4 | Very low | 35 | Very low | 223 Ų | 223 | 150.2 Ų | 150.2 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -132.8 | 55.4 | 178.3 | -79.6 | -171.8 | 160 | 153.5 | -3.2 | 109.6 | A377 | A377-R379 PolarHBondContact O-N 2.98Š|
| 380 | S | 34.2 | Very low | 34.8 | Very low | 108 Ų | 108 | 148.8 Ų | 148.8 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 161.3 | 72.6 | 158.4 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 381 | S | 30.9 | Very low | 34.6 | Very low | 98 Ų | 98 | 148.8 Ų | 148.8 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | | | trans | -163.4 | 80.2 | 161.6 | 63.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 382 | L | 34.2 | Very low | 34.9 | Very low | 172 Ų | 172 | 148.4 Ų | 148.4 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -171.6 | 43.4 | 157.2 | -101.1 | 168.5 | 0 | 0 | 0 | 109.7 | | |
| 383 | L | 36.6 | Very low | 35.2 | Very low | 145 Ų | 145 | 148.9 Ų | 148.9 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | | | trans | -131.9 | 68.6 | 166.9 | -70.8 | 175.4 | 0 | 0 | 0 | 107.9 | | |
| 384 | T | 32.3 | Very low | 35.3 | Very low | 126 Ų | 126 | 152.2 Ų | 152.2 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | -133.8 | 74.8 | 165.4 | -29.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 385 | I | 37.1 | Very low | 35.5 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | | | trans | -118.2 | 66.1 | 158.3 | -43.6 | 176.4 | 0 | 0 | 0 | 106 | | |
| 386 | N | 37.1 | Very low | 35.4 | Very low | 148 Ų | 148 | 148.5 Ų | 148.5 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | -99.2 | 126.4 | 165.6 | -83.6 | -11.5 | 0 | 0 | 0 | 108.1 | | |
| 387 | S | 31.9 | Very low | 35.8 | Very low | 94 Ų | 94 | 144.8 Ų | 144.8 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | | | trans | 73.6 | 94 | 155.5 | -164.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 388 | V | 34.7 | Very low | 35.8 | Very low | 153 Ų | 153 | 148.7 Ų | 148.7 | 93% | 0.927 | 80% | 0.796 | S | S | * | * | | | trans | -110.8 | 84 | 139 | -176.8 | 0 | 0 | 0 | 0 | 106.4 | | |
| 389 | H | 39.5 | Very low | 36.2 | Very low | 161 Ų | 161 | 148.6 Ų | 148.6 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | | | trans | -82.3 | 139 | 158.5 | -86.8 | 46.3 | 0 | 0 | 0 | 108.9 | | |
| 390 | S | 31.6 | Very low | 36.5 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | | | trans | 61.2 | 101.6 | 150.4 | 169.7 | 0 | 0 | 0 | 0 | 116.9 | | |
| 391 | N | 34.4 | Very low | 36.9 | Very low | 168 Ų | 168 | 148.4 Ų | 148.4 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | | | trans | -133.8 | 110.2 | 133.6 | -140.8 | -2.3 | 0 | 0 | 0 | 110.4 | | |
| 392 | K | 41.2 | Very low | 37.5 | Very low | 167 Ų | 167 | 153.1 Ų | 153.1 | 73% | 0.726 | 80% | 0.804 | S | S | * | * | | | trans | -72.5 | 151.2 | 166.3 | -69.2 | 173 | 174.3 | 177.6 | 0 | 108.4 | | |
| 393 | N | 40.1 | Very low | 37.5 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 66% | 0.658 | 80% | 0.799 | S | S | * | * | | | trans | 113 | 136.4 | 151.7 | -53.6 | -36.2 | 0 | 0 | 0 | 117.1 | | |
| 394 | Y | 35.3 | Very low | 37.6 | Very low | 211 Ų | 211 | 155.3 Ų | 155.3 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | | | trans | 86.1 | 110.4 | 165.7 | -46 | -71.4 | 0 | 0 | 0 | 114.7 | | |
| 395 | S | 38.6 | Very low | 37.9 | Very low | 119 Ų | 119 | 153.7 Ų | 153.7 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | cis | -153.5 | 108.6 | 44.8 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 396 | T | 35.4 | Very low | 37.9 | Very low | 145 Ų | 145 | 156.9 Ų | 156.9 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | | | trans | -92.2 | 108 | 164.9 | -55.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 397 | L | 43.2 | Very low | 37.9 | Very low | 158 Ų | 158 | 155.1 Ų | 155.1 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | | | trans | -79.9 | 120.5 | 171.8 | -142.2 | 140 | 0 | 0 | 0 | 107.5 | L399 | L397-L399 PolarHBondContact O-N 2.99Š|
| 398 | E | 34.2 | Very low | 38.1 | Very low | 156 Ų | 156 | 155.6 Ų | 155.6 | 73% | 0.729 | 80% | 0.803 | S | S | * | * | | | trans | -58.3 | 125.2 | 178.6 | -69 | -151.2 | 160.2 | 0 | 0 | 112 | | |
| 399 | L | 44.1 | Very low | 38.4 | Very low | 172 Ų | 172 | 156.8 Ų | 156.8 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | | | trans | -132.7 | 102.6 | 152 | -96.9 | 159.5 | 0 | 0 | 0 | 107.9 | L397 | L397-L399 PolarHBondContact O-N 2.99Š|
| 400 | R | 39.3 | Very low | 38.2 | Very low | 215 Ų | 215 | 155.1 Ų | 155.1 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | -61.1 | 160.4 | 172.8 | -78.3 | -171 | 160.5 | -150.1 | -3.6 | 112.1 | | |
| 401 | S | 42.4 | Very low | 38.7 | Very low | 112 Ų | 112 | 158.8 Ų | 158.8 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | trans | 96.7 | 126.2 | 170 | 78.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 402 | K | 44 | Very low | 38.8 | Very low | 197 Ų | 197 | 159.1 Ų | 159.1 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | | | cis | -159.1 | 151.4 | 3.6 | -99.8 | 157 | 176.7 | 176.9 | 0 | 107.2 | | |
| 403 | P | 35 | Very low | 38.8 | Very low | 122 Ų | 122 | 159 Ų | 159 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | | | trans | -103.9 | 130.9 | 173.4 | 35.7 | -25.9 | 0 | 0 | 0 | 112.3 | | |
| 404 | R | 38.5 | Very low | 38.8 | Very low | 240 Ų | 240 | 161 Ų | 161 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | | | trans | 169.1 | 144.9 | 159.4 | -118.3 | 167.4 | 162.5 | 171 | -4.1 | 108.5 | | |
| 405 | S | 38.7 | Very low | 39 | Very low | 92 Ų | 92 | 156.2 Ų | 156.2 | 64% | 0.643 | 81% | 0.806 | S | S | * | * | | | cis | -177.4 | 147.3 | -17.5 | -96.4 | 0 | 0 | 0 | 0 | 104.8 | | |
| 406 | R | 36.2 | Very low | 39 | Very low | 241 Ų | 241 | 159.2 Ų | 159.2 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | | | trans | 38 | 125.2 | 146.5 | -73.5 | 176.9 | 160.1 | 179.7 | -6.5 | 119 | | |
| 407 | S | 37.1 | Very low | 39.1 | Very low | 110 Ų | 110 | 159 Ų | 159 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | | 171.4 | 131.4 | 97.1 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 408 | S | 35.9 | Very low | 38.6 | Very low | 104 Ų | 104 | 154.8 Ų | 154.8 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -43.2 | 149.3 | 157.1 | 44 | 0 | 0 | 0 | 0 | 114.3 | | |
| 409 | Q | 42.4 | Very low | 39 | Very low | 178 Ų | 178 | 155.7 Ų | 155.7 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | | -178.6 | 126.6 | 114.1 | -169.3 | 160.5 | -0.4 | 0 | 0 | 111.4 | | |
| 410 | T | 35.4 | Very low | 39 | Very low | 127 Ų | 127 | 151 Ų | 151 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | trans | -60.8 | 138.4 | 166.2 | 36.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 411 | H | 40.8 | Very low | 39.4 | Very low | 177 Ų | 177 | 148 Ų | 148 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | | | trans | -151 | 120.1 | 145.1 | -129.4 | -83 | 0 | 0 | 0 | 110.3 | | |
| 412 | E | 37.2 | Very low | 39.6 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -60.3 | 139.5 | 157.9 | -65.7 | 175.9 | 139.2 | 0 | 0 | 108.6 | | |
| 413 | E | 41.5 | Very low | 39.6 | Very low | 165 Ų | 165 | 146 Ų | 146 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | | | | 164.2 | 149.1 | 125.2 | -91 | -177 | 175.4 | 0 | 0 | 111.4 | | |
| 414 | H | 39.9 | Very low | 40.4 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | 96.6 | 78.1 | 165.6 | -64.3 | 9.4 | 0 | 0 | 0 | 117.9 | | |
| 415 | S | 38.2 | Very low | 40.6 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | | 29.4 | 126.7 | 112.7 | -61.9 | 0 | 0 | 0 | 0 | 120 | | |
| 416 | Q | 38.7 | Very low | 41.4 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | | | trans | 94.4 | 117.1 | 144.1 | -75.1 | -176 | 6.6 | 0 | 0 | 119.2 | | |
| 417 | V | 37.6 | Very low | 42.5 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | | | trans | 89.3 | 97 | 153.3 | -163.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 418 | G | 33.9 | Very low | 43.9 | Very low | 69 Ų | 69 | 138.1 Ų | 138.1 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | 87.2 | 98.3 | 133.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 419 | E | 42.3 | Very low | 45.5 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -167.9 | 114.3 | 143.2 | -103 | -82.9 | 131.1 | 0 | 0 | 107.6 | V421 | E419-V421 PolarHBondContact O-N 2.92Š|
| 420 | P | 44.8 | Very low | 47.1 | Very low | 72 Ų | 72 | 134.7 Ų | 134.7 | 47% | 0.468 | 75% | 0.748 | S | S | . | * | | | trans | -69.5 | 126.7 | 173.3 | 29 | -30.8 | 0 | 0 | 0 | 108.5 | K422 | P420-K422 HydrophobicContact CB-CD 4.36Å; P420-K422 HydrophobicContact CB-CG 4Å; P420-K422 HydrophobicContact CG-CD 3.78Å; P420-K422 VanDerWaalsContact CG-CE 3.43Å; P420-K422 HydrophobicContact CG-CG 3.94Å; P420-K422 PolarHBondContact O-N 3.28Å |
| 421 | V | 47.1 | Very low | 49.4 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 93% | 0.933 | 74% | 0.74 | S | S | * | * | | | trans | -57.7 | 82.3 | 167.5 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | E419 S423 | E419-V421 PolarHBondContact O-N 2.92Å; V421-S423 PolarHBondContact O-N 3.47Å |
| 422 | K | 46.6 | Very low | 51.3 | Low | 172 Ų | 172 | 130 Ų | 130 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | | | trans | -93 | 104 | -174.6 | -83.4 | 177.2 | 177.9 | 171.1 | 0 | 109.8 | P420 | P420-K422 HydrophobicContact CB-CD 4.36Å; P420-K422 HydrophobicContact CB-CG 4Å; P420-K422 HydrophobicContact CG-CD 3.78Å; P420-K422 VanDerWaalsContact CG-CE 3.43Å; P420-K422 HydrophobicContact CG-CG 3.94Å; P420-K422 PolarHBondContact O-N 3.28Å |
| 423 | S | 44.6 | Very low | 53.8 | Low | 95 Ų | 95 | 124.6 Ų | 124.6 | 66% | 0.664 | 71% | 0.707 | S | S | * | * | | | trans | 52.8 | 97.3 | 158.3 | 61.6 | 0 | 0 | 0 | 0 | 115.8 | V421 G425 | V421-S423 PolarHBondContact O-N 3.47Å; S423-G425 VanDerWaalsContact C-N 3.35Å; S423-G425 PolarHBondContact O-N 2.89Å |
| 424 | V | 51 | Low | 56.1 | Low | 147 Ų | 147 | 121.5 Ų | 121.5 | 89% | 0.891 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -47.6 | 111 | 142.2 | 174.3 | 0 | 0 | 0 | 0 | 105.6 | V426 | V424-V426 PolarHBondContact O-N 2.92Š|
| 425 | G | 43.1 | Very low | 58.4 | Low | 59 Ų | 59 | 115.8 Ų | 115.8 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | | | trans | -48.6 | 117.9 | -171 | 0 | 0 | 0 | 0 | 0 | 109.7 | S423 L427 | S423-G425 VanDerWaalsContact C-N 3.35Å; S423-G425 PolarHBondContact O-N 2.89Å; G425-L427 PolarHBondContact O-N 3.3Å |
| 426 | V | 54.4 | Low | 60.9 | Low | 131 Ų | 131 | 111.8 Ų | 111.8 | 79% | 0.794 | 65% | 0.651 | S | S | * | * | | | trans | -56.6 | 96.7 | 155.9 | 176.8 | 0 | 0 | 0 | 0 | 103.4 | V424 D428 | V424-V426 PolarHBondContact O-N 2.92Å; V426-D428 PolarHBondContact O-N 2.62Å |
| 427 | L | 59.8 | Low | 63.4 | Low | 151 Ų | 151 | 107.6 Ų | 107.6 | 79% | 0.791 | 63% | 0.634 | S | S | * | * | | | trans | -61 | 101.4 | 171.9 | -163.1 | 84.6 | 0 | 0 | 0 | 103.2 | G425 E429 | G425-L427 PolarHBondContact O-N 3.3Å; L427-E429 PolarHBondContact O-N 2.74Å |
| 428 | D | 66.8 | Low | 66 | Low | 150 Ų | 150 | 103.6 Ų | 103.6 | 80% | 0.802 | 62% | 0.616 | S | S | * | * | | | trans | -61.5 | 94.3 | -179 | -156.1 | 16.6 | 0 | 0 | 0 | 105.4 | V426 N430 | V426-D428 PolarHBondContact O-N 2.62Å; D428-N430 PolarHBondContact O-N 3.22Å |
| 429 | E | 69.8 | Low | 68.7 | Low | 105 Ų | 105 | 106.1 Ų | 106.1 | 49% | 0.491 | 60% | 0.604 | S | S | . | * | | | trans | -60.1 | 118.3 | -178.4 | -68.7 | -168.7 | -176 | 0 | 0 | 105.4 | L427 I431 F436 | L427-E429 PolarHBondContact O-N 2.74Å; E429-I431 VanDerWaalsContact C-N 3.34Å; E429-I431 PolarHBondContact O-N 3.4Å; E429-F436 HydrophobicContact CB-CD2 3.95Å; E429-F436 HydrophobicContact CB-CE2 3.87Å; E429-F436 VanDerWaalsContact OE2-CD2 3.25Å; E429-F436 WeakPolarHBondContact OE2-CD2 3.28Å; E429-F436 WeakPolarHBondContact OE2-CE2 3.26Å |
| 430 | N | 76.6 | Confident | 71.1 | Confident | 106 Ų | 106 | 102 Ų | 102 | 57% | 0.567 | 59% | 0.585 | S | S | * | * | | | trans | -62.3 | 100.8 | -177.8 | -175.7 | -10.4 | 0 | 0 | 0 | 108.3 | D428 S432 D433 | D428-N430 PolarHBondContact O-N 3.22Å; N430-S432 PolarHBondContact O-N 2.84Å; N430-S432 VanDerWaalsContact OD1-CB 3.31Å; N430-S432 WeakPolarHBondContact OD1-CB 3.46Å; N430-S432 PolarHBondContact OD1-N 3.04Å; N430-D433 HydrophobicContact CB-CB 4.34Å; N430-D433 WeakPolarHBondContact O-CB 3.42Å; N430-D433 PolarHBondContact O-N 2.85Å |
| 431 | I | 81.9 | Confident | 73.3 | Confident | 117 Ų | 117 | 101.1 Ų | 101.1 | 60% | 0.6 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -14.5 | -178.7 | 58.2 | 172.6 | 0 | 0 | 0 | 112.9 | E429 F436 L437 | E429-I431 VanDerWaalsContact C-N 3.34Å; E429-I431 PolarHBondContact O-N 3.4Å; I431-F436 HydrophobicContact CB-CD1 4.4Å; I431-F436 HydrophobicContact CB-CE1 4Å; I431-F436 HydrophobicContact CG2-CE1 3.85Å; I431-F436 HydrophobicContact CG2-CZ 3.9Å; I431-L437 WeakPolarHBondContact O-CD2 3.43Å |
| 432 | S | 82.5 | Confident | 75.5 | Confident | 88 Ų | 88 | 103.1 Ų | 103.1 | 62% | 0.615 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -7 | 175.4 | -51.8 | 0 | 0 | 0 | 0 | 113.4 | N430 P434 | N430-S432 PolarHBondContact O-N 2.84Å; N430-S432 VanDerWaalsContact OD1-CB 3.31Å; N430-S432 WeakPolarHBondContact OD1-CB 3.46Å; N430-S432 PolarHBondContact OD1-N 3.04Å; S432-P434 WeakPolarHBondContact O-CD 3.3Å |
| 433 | D | 89.3 | Confident | 77.7 | Confident | 62 Ų | 62 | 100.3 Ų | 100.3 | 33% | 0.332 | 56% | 0.563 | S | S | . | * | | | trans | -64 | 122.6 | 176.6 | 174.9 | 15.3 | 0 | 0 | 0 | 109.7 | N430 A435 F436 L437 | N430-D433 HydrophobicContact CB-CB 4.34Å; N430-D433 WeakPolarHBondContact O-CB 3.42Å; N430-D433 PolarHBondContact O-N 2.85Å; D433-A435 PolarHBondContact O-N 3.43Å; D433-A435 VanDerWaalsContact O-N 3.1Å; D433-A435 PolarHBondContact OD1-N 2.93Å; D433-F436 HydrophobicContact CB-CB 3.96Å; D433-F436 WeakPolarHBondContact O-CA 3.41Å; D433-F436 WeakPolarHBondContact O-CB 3.34Å; D433-F436 PolarHBondContact O-N 3.28Å; D433-L437 PolarHBondContact O-N 2.92Å |
| 434 | P | 89.4 | Confident | 80 | Confident | 100 Ų | 100 | 101.9 Ų | 101.9 | 65% | 0.649 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -52.8 | -32.4 | 175.5 | -27.4 | 35.1 | 0 | 0 | 0 | 113.5 | S432 A438 | S432-P434 WeakPolarHBondContact O-CD 3.3Å; P434-A438 VanDerWaalsContact O-CB 3.26Å; P434-A438 WeakPolarHBondContact O-CB 3.2Å; P434-A438 PolarHBondContact O-N 3.49Å |
| 435 | A | 88.3 | Confident | 82.1 | Confident | 46 Ų | 46 | 100.2 Ų | 100.2 | 38% | 0.38 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.8 | -36.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D433 R439 | D433-A435 PolarHBondContact O-N 3.43Å; D433-A435 VanDerWaalsContact O-N 3.1Å; D433-A435 PolarHBondContact OD1-N 2.93Å; A435-R439 WeakPolarHBondContact O-CG 3.39Å; A435-R439 PolarHBondContact O-N 3.34Å; A435-R439 PolarHBondContact O-NH1 3.25Å |
| 436 | F | 91.1 | Very high | 84.5 | Confident | 25 Ų | 25 | 100.8 Ų | 100.8 | 11% | 0.11 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -62.7 | -50.9 | 171.8 | 177.1 | -88.4 | 0 | 0 | 0 | 110.9 | E429 I431 D433 A438 R439 H440 | E429-F436 HydrophobicContact CB-CD2 3.95Å; E429-F436 HydrophobicContact CB-CE2 3.87Å; E429-F436 VanDerWaalsContact OE2-CD2 3.25Å; E429-F436 WeakPolarHBondContact OE2-CD2 3.28Å; E429-F436 WeakPolarHBondContact OE2-CE2 3.26Å; I431-F436 HydrophobicContact CB-CD1 4.4Å; I431-F436 HydrophobicContact CB-CE1 4Å; I431-F436 HydrophobicContact CG2-CE1 3.85Å; I431-F436 HydrophobicContact CG2-CZ 3.9Å; D433-F436 HydrophobicContact CB-CB 3.96Å; D433-F436 WeakPolarHBondContact O-CA 3.41Å; D433-F436 WeakPolarHBondContact O-CB 3.34Å; D433-F436 PolarHBondContact O-N 3.28Å; F436-A438 VanDerWaalsContact C-N 3.3Å; F436-A438 PolarHBondContact O-N 3.45Å; F436-R439 PolarHBondContact O-N 2.95Å; F436-R439 VanDerWaalsContact O-N 3.1Å; F436-H440 AromaticContact CD1-CD2 3.76Å; F436-H440 AromaticContact CD2-CD2 3.69Å; F436-H440 AromaticContact CD2-NE2 3.85Å; F436-H440 AromaticContact CE1-CD2 3.42Å; F436-H440 VanDerWaalsContact CE1-CD2 3.42Å; F436-H440 WeakPolarHBondContact CE1-CD2 3.29Å; F436-H440 AromaticContact CE1-CG 3.96Å; F436-H440 AromaticContact CE1-NE2 3.82Å; F436-H440 AromaticContact CE2-CD2 3.36Å; F436-H440 WeakPolarHBondContact CE2-CD2 3.34Å; F436-H440 AromaticContact CE2-NE2 3.1Å; F436-H440 WeakPolarHBondContact CE2-NE2 3.28Å; F436-H440 AromaticContact CG-CD2 3.89Å; F436-H440 AromaticContact CZ-CD2 3.21Å; F436-H440 WeakPolarHBondContact CZ-CD2 3.3Å; F436-H440 AromaticContact CZ-CE1 3.77Å; F436-H440 AromaticContact CZ-CG 4Å; F436-H440 AromaticContact CZ-NE2 3.09Å; F436-H440 WeakPolarHBondContact CZ-NE2 3.26Å; F436-H440 PolarHBondContact O-CD2 3.27Å; F436-H440 PolarHBondContact O-N 3.21Å |
| 437 | L | 91.3 | Very high | 86.4 | Confident | 94 Ų | 94 | 101.3 Ų | 101.3 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59 | -39.7 | 177.7 | -67.1 | 174.9 | 0 | 0 | 0 | 112.3 | I431 D433 S441 | I431-L437 WeakPolarHBondContact O-CD2 3.43Å; D433-L437 PolarHBondContact O-N 2.92Å; L437-S441 VanDerWaalsContact O-CB 3.3Å; L437-S441 WeakPolarHBondContact O-CB 3.38Å; L437-S441 PolarHBondContact O-N 3.12Å; L437-S441 PolarHBondContact O-OG 3.43Å |
| 438 | A | 91.2 | Very high | 88 | Confident | 57 Ų | 57 | 98.1 Ų | 98.1 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P434 F436 S441 R442 | P434-A438 VanDerWaalsContact O-CB 3.26Å; P434-A438 WeakPolarHBondContact O-CB 3.2Å; P434-A438 PolarHBondContact O-N 3.49Å; F436-A438 VanDerWaalsContact C-N 3.3Å; F436-A438 PolarHBondContact O-N 3.45Å; A438-S441 WeakPolarHBondContact CA-OG 3.26Å; A438-S441 PolarHBondContact O-OG 3.02Å; A438-S441 VanDerWaalsContact O-OG 3.11Å; A438-R442 WeakPolarHBondContact O-CB 3.37Å; A438-R442 PolarHBondContact O-N 3.43Å; A438-R442 VanDerWaalsContact O-N 3.16Å |
| 439 | R | 91 | Very high | 89.3 | Confident | 123 Ų | 123 | 96.1 Ų | 96.1 | 46% | 0.464 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.5 | -46.3 | 174.6 | -72.6 | -171.4 | -52.4 | -92.7 | 7.2 | 111.2 | A435 F436 R442 L443 | A435-R439 WeakPolarHBondContact O-CG 3.39Å; A435-R439 PolarHBondContact O-N 3.34Å; A435-R439 PolarHBondContact O-NH1 3.25Å; F436-R439 PolarHBondContact O-N 2.95Å; F436-R439 VanDerWaalsContact O-N 3.1Å; R439-R442 PolarHBondContact O-N 3.18Å; R439-L443 WeakPolarHBondContact O-CG 3.41Å; R439-L443 PolarHBondContact O-N 3.22Å |
| 440 | H | 91.6 | Very high | 90.6 | Very high | 89 Ų | 89 | 96.6 Ų | 96.6 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -46.3 | -179.7 | -88.3 | -88.8 | 0 | 0 | 0 | 112.6 | F436 R442 L443 E444 | F436-H440 AromaticContact CD1-CD2 3.76Å; F436-H440 AromaticContact CD2-CD2 3.69Å; F436-H440 AromaticContact CD2-NE2 3.85Å; F436-H440 AromaticContact CE1-CD2 3.42Å; F436-H440 VanDerWaalsContact CE1-CD2 3.42Å; F436-H440 WeakPolarHBondContact CE1-CD2 3.29Å; F436-H440 AromaticContact CE1-CG 3.96Å; F436-H440 AromaticContact CE1-NE2 3.82Å; F436-H440 AromaticContact CE2-CD2 3.36Å; F436-H440 WeakPolarHBondContact CE2-CD2 3.34Å; F436-H440 AromaticContact CE2-NE2 3.1Å; F436-H440 WeakPolarHBondContact CE2-NE2 3.28Å; F436-H440 AromaticContact CG-CD2 3.89Å; F436-H440 AromaticContact CZ-CD2 3.21Å; F436-H440 WeakPolarHBondContact CZ-CD2 3.3Å; F436-H440 AromaticContact CZ-CE1 3.77Å; F436-H440 AromaticContact CZ-CG 4Å; F436-H440 AromaticContact CZ-NE2 3.09Å; F436-H440 WeakPolarHBondContact CZ-NE2 3.26Å; F436-H440 PolarHBondContact O-CD2 3.27Å; F436-H440 PolarHBondContact O-N 3.21Å; H440-R442 VanDerWaalsContact C-N 3.27Å; H440-R442 PolarHBondContact O-N 3.31Å; H440-L443 PolarHBondContact O-N 3.36Å; H440-L443 VanDerWaalsContact O-N 3.11Å; H440-E444 PolarHBondContact O-N 2.99Å |
| 441 | S | 91.1 | Very high | 91.4 | Very high | 53 Ų | 53 | 96 Ų | 96 | 37% | 0.371 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -36.4 | 174.7 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | L437 A438 I445 | L437-S441 VanDerWaalsContact O-CB 3.3Å; L437-S441 WeakPolarHBondContact O-CB 3.38Å; L437-S441 PolarHBondContact O-N 3.12Å; L437-S441 PolarHBondContact O-OG 3.43Å; A438-S441 WeakPolarHBondContact CA-OG 3.26Å; A438-S441 PolarHBondContact O-OG 3.02Å; A438-S441 VanDerWaalsContact O-OG 3.11Å; S441-I445 WeakPolarHBondContact O-CD1 3.4Å; S441-I445 WeakPolarHBondContact O-CG1 3.36Å; S441-I445 PolarHBondContact O-N 3.15Å |
| 442 | R | 94 | Very high | 92.1 | Very high | 195 Ų | 195 | 98.3 Ų | 98.3 | 74% | 0.736 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.9 | -41.1 | 173.8 | -177.2 | 177.8 | 175.9 | -176.9 | -1.8 | 112.3 | A438 R439 H440 E446 | A438-R442 WeakPolarHBondContact O-CB 3.37Å; A438-R442 PolarHBondContact O-N 3.43Å; A438-R442 VanDerWaalsContact O-N 3.16Å; R439-R442 PolarHBondContact O-N 3.18Å; H440-R442 VanDerWaalsContact C-N 3.27Å; H440-R442 PolarHBondContact O-N 3.31Å; R442-E446 WeakPolarHBondContact O-CB 3.4Å; R442-E446 PolarHBondContact O-N 3.12Å |
| 443 | L | 93.7 | Very high | 92.7 | Very high | 113 Ų | 113 | 97.7 Ų | 97.7 | 59% | 0.592 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65 | -43.7 | 176.7 | -73.2 | 172.5 | 0 | 0 | 0 | 111.3 | R439 H440 I445 E446 E447 | R439-L443 WeakPolarHBondContact O-CG 3.41Å; R439-L443 PolarHBondContact O-N 3.22Å; H440-L443 PolarHBondContact O-N 3.36Å; H440-L443 VanDerWaalsContact O-N 3.11Å; L443-I445 PolarHBondContact O-N 3.49Å; L443-E446 PolarHBondContact O-N 3.44Å; L443-E447 WeakPolarHBondContact O-CB 3.16Å; L443-E447 PolarHBondContact O-N 3.3Å |
| 444 | E | 92.6 | Very high | 93 | Very high | 128 Ų | 128 | 97.9 Ų | 97.9 | 60% | 0.598 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.9 | -45.8 | 176.1 | -174.9 | -177.8 | -174.1 | 0 | 0 | 111.7 | H440 E446 E447 V448 | H440-E444 PolarHBondContact O-N 2.99Å; E444-E446 VanDerWaalsContact C-N 3.31Å; E444-E446 PolarHBondContact O-N 2.97Å; E444-E447 PolarHBondContact O-N 2.89Å; E444-V448 WeakPolarHBondContact O-CG2 3.46Å; E444-V448 PolarHBondContact O-N 2.86Å |
| 445 | I | 94.4 | Very high | 93.2 | Very high | 113 Ų | 113 | 100.7 Ų | 100.7 | 58% | 0.579 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62 | -40.1 | 176.3 | -68.8 | 165.4 | 0 | 0 | 0 | 111.3 | S441 L443 R449 | S441-I445 WeakPolarHBondContact O-CD1 3.4Å; S441-I445 WeakPolarHBondContact O-CG1 3.36Å; S441-I445 PolarHBondContact O-N 3.15Å; L443-I445 PolarHBondContact O-N 3.49Å; I445-R449 WeakPolarHBondContact O-CB 3.49Å; I445-R449 PolarHBondContact O-N 2.97Å |
| 446 | E | 93.9 | Very high | 93.5 | Very high | 71 Ų | 71 | 103.1 Ų | 103.1 | 33% | 0.332 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.1 | -36.3 | 179.5 | -163.4 | 58.6 | -146.4 | 0 | 0 | 111.4 | R442 L443 E444 R449 H450 | R442-E446 WeakPolarHBondContact O-CB 3.4Å; R442-E446 PolarHBondContact O-N 3.12Å; L443-E446 PolarHBondContact O-N 3.44Å; E444-E446 VanDerWaalsContact C-N 3.31Å; E444-E446 PolarHBondContact O-N 2.97Å; E446-R449 WeakPolarHBondContact O-CB 3.4Å; E446-R449 PolarHBondContact O-N 3.18Å; E446-R449 WeakPolarHBondContact OE1-CD 3.4Å; E446-R449 IonicContact OE2-NH1 3.05Å; E446-R449 PolarHBondContact OE2-NH1 3.43Å; E446-H450 PolarHBondContact O-CD2 2.98Å; E446-H450 PolarHBondContact O-N 2.98Å; E446-H450 IonicContact OE1-CD2 3.92Å; E446-H450 IonicContact OE1-NE2 3.71Å |
| 447 | E | 93.1 | Very high | 93.7 | Very high | 141 Ų | 141 | 109.9 Ų | 109.9 | 66% | 0.659 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.2 | -48.7 | 172.8 | -175.1 | 173.5 | -170.5 | 0 | 0 | 111.5 | L443 E444 R449 H450 E451 | L443-E447 WeakPolarHBondContact O-CB 3.16Å; L443-E447 PolarHBondContact O-N 3.3Å; E444-E447 PolarHBondContact O-N 2.89Å; E447-R449 VanDerWaalsContact C-N 3.25Å; E447-R449 PolarHBondContact O-N 3.35Å; E447-H450 PolarHBondContact O-N 3.18Å; E447-H450 VanDerWaalsContact O-N 3.12Å; E447-E451 PolarHBondContact O-N 3.29Å |
| 448 | V | 93.6 | Very high | 93.9 | Very high | 85 Ų | 85 | 109.1 Ų | 109.1 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.7 | -37.8 | 175.1 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | E444 R452 | E444-V448 WeakPolarHBondContact O-CG2 3.46Å; E444-V448 PolarHBondContact O-N 2.86Å; V448-R452 WeakPolarHBondContact O-CB 3.38Å; V448-R452 PolarHBondContact O-N 3.27Å |
| 449 | R | 95.8 | Very high | 94.1 | Very high | 107 Ų | 107 | 109 Ų | 109 | 40% | 0.404 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -46.3 | 174.8 | 174.9 | -175 | -99 | 153.8 | -6.4 | 111.3 | I445 E446 E447 R452 L453 | I445-R449 WeakPolarHBondContact O-CB 3.49Å; I445-R449 PolarHBondContact O-N 2.97Å; E446-R449 WeakPolarHBondContact O-CB 3.4Å; E446-R449 PolarHBondContact O-N 3.18Å; E446-R449 WeakPolarHBondContact OE1-CD 3.4Å; E446-R449 IonicContact OE2-NH1 3.05Å; E446-R449 PolarHBondContact OE2-NH1 3.43Å; E447-R449 VanDerWaalsContact C-N 3.25Å; E447-R449 PolarHBondContact O-N 3.35Å; R449-R452 PolarHBondContact O-N 3.39Å; R449-L453 HydrophobicContact CG-CD1 4.14Å; R449-L453 WeakPolarHBondContact O-CG 3.37Å; R449-L453 PolarHBondContact O-N 3.25Å |
| 450 | H | 95.8 | Very high | 94.4 | Very high | 116 Ų | 116 | 108.2 Ų | 108.2 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 177.7 | -82.9 | -64 | 0 | 0 | 0 | 111.7 | E446 E447 R452 L453 S454 | E446-H450 PolarHBondContact O-CD2 2.98Å; E446-H450 PolarHBondContact O-N 2.98Å; E446-H450 IonicContact OE1-CD2 3.92Å; E446-H450 IonicContact OE1-NE2 3.71Å; E447-H450 PolarHBondContact O-N 3.18Å; E447-H450 VanDerWaalsContact O-N 3.12Å; H450-R452 PolarHBondContact O-N 2.62Å; H450-L453 PolarHBondContact O-N 3.1Å; H450-S454 WeakPolarHBondContact O-CB 3.4Å; H450-S454 PolarHBondContact O-N 3.39Å |
| 451 | E | 94.3 | Very high | 94.6 | Very high | 94 Ų | 94 | 110.5 Ų | 110.5 | 44% | 0.439 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 176.2 | -172.3 | -176 | -161.2 | 0 | 0 | 111.2 | E447 L453 S454 R455 | E447-E451 PolarHBondContact O-N 3.29Å; E451-L453 PolarHBondContact O-N 3.42Å; E451-S454 WeakPolarHBondContact O-CB 3.47Å; E451-S454 PolarHBondContact O-N 3.42Å; E451-R455 VanDerWaalsContact CD-NH2 3.34Å; E451-R455 WeakPolarHBondContact O-CG 3.42Å; E451-R455 PolarHBondContact O-N 3.05Å; E451-R455 IonicContact OE1-CZ 3.25Å; E451-R455 VanDerWaalsContact OE1-CZ 3.25Å; E451-R455 IonicContact OE1-NE 3.27Å; E451-R455 PolarHBondContact OE1-NE 2.98Å; E451-R455 IonicContact OE1-NH2 2.62Å; E451-R455 PolarHBondContact OE1-NH2 2.85Å; E451-R455 IonicContact OE2-NH2 3.57Å |
| 452 | R | 95.9 | Very high | 94.9 | Very high | 164 Ų | 164 | 112 Ų | 112 | 62% | 0.619 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.1 | -44.7 | 177.7 | -174.1 | 178.5 | -175.7 | 176.7 | 3.4 | 112.3 | V448 R449 H450 S454 Q456 | V448-R452 WeakPolarHBondContact O-CB 3.38Å; V448-R452 PolarHBondContact O-N 3.27Å; R449-R452 PolarHBondContact O-N 3.39Å; H450-R452 PolarHBondContact O-N 2.62Å; R452-S454 VanDerWaalsContact C-N 3.33Å; R452-Q456 WeakPolarHBondContact O-CB 3.34Å; R452-Q456 PolarHBondContact O-N 3.12Å |
| 453 | L | 95.3 | Very high | 95 | Very high | 75 Ų | 75 | 107.5 Ų | 107.5 | 39% | 0.393 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 176.6 | -73.2 | 172.8 | 0 | 0 | 0 | 111.8 | R449 H450 E451 Q456 R457 | R449-L453 HydrophobicContact CG-CD1 4.14Å; R449-L453 WeakPolarHBondContact O-CG 3.37Å; R449-L453 PolarHBondContact O-N 3.25Å; H450-L453 PolarHBondContact O-N 3.1Å; E451-L453 PolarHBondContact O-N 3.42Å; L453-Q456 PolarHBondContact O-N 3.28Å; L453-R457 WeakPolarHBondContact O-CG 3.38Å; L453-R457 PolarHBondContact O-N 3.28Å |
| 454 | S | 95 | Very high | 95.2 | Very high | 66 Ų | 66 | 109.3 Ų | 109.3 | 46% | 0.462 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -52.9 | 175.2 | -172.8 | 0 | 0 | 0 | 0 | 111 | H450 E451 R452 Q456 R457 T458 | H450-S454 WeakPolarHBondContact O-CB 3.4Å; H450-S454 PolarHBondContact O-N 3.39Å; E451-S454 WeakPolarHBondContact O-CB 3.47Å; E451-S454 PolarHBondContact O-N 3.42Å; R452-S454 VanDerWaalsContact C-N 3.33Å; S454-Q456 VanDerWaalsContact C-N 3.28Å; S454-Q456 PolarHBondContact O-N 3.31Å; S454-R457 PolarHBondContact O-N 2.82Å; S454-R457 VanDerWaalsContact O-N 3.12Å; S454-T458 PolarHBondContact O-N 3.5Å; S454-T458 PolarHBondContact O-OG1 3.4Å |
| 455 | R | 94.3 | Very high | 95.3 | Very high | 160 Ų | 160 | 108.4 Ų | 108.4 | 60% | 0.604 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.6 | -40.3 | 176.3 | -67.8 | 176.3 | -176.9 | -168 | 1.2 | 112.1 | E451 T458 A459 | E451-R455 VanDerWaalsContact CD-NH2 3.34Å; E451-R455 WeakPolarHBondContact O-CG 3.42Å; E451-R455 PolarHBondContact O-N 3.05Å; E451-R455 IonicContact OE1-CZ 3.25Å; E451-R455 VanDerWaalsContact OE1-CZ 3.25Å; E451-R455 IonicContact OE1-NE 3.27Å; E451-R455 PolarHBondContact OE1-NE 2.98Å; E451-R455 IonicContact OE1-NH2 2.62Å; E451-R455 PolarHBondContact OE1-NH2 2.85Å; E451-R455 IonicContact OE2-NH2 3.57Å; R455-T458 PolarHBondContact O-N 3.11Å; R455-A459 WeakPolarHBondContact O-CB 3.4Å; R455-A459 PolarHBondContact O-N 3.3Å |
| 456 | Q | 95.4 | Very high | 95.4 | Very high | 96 Ų | 96 | 109.7 Ų | 109.7 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 175.7 | -178.6 | -179.4 | -10.7 | 0 | 0 | 111.7 | R452 L453 S454 T458 A459 E460 | R452-Q456 WeakPolarHBondContact O-CB 3.34Å; R452-Q456 PolarHBondContact O-N 3.12Å; L453-Q456 PolarHBondContact O-N 3.28Å; S454-Q456 VanDerWaalsContact C-N 3.28Å; S454-Q456 PolarHBondContact O-N 3.31Å; Q456-T458 VanDerWaalsContact C-N 3.33Å; Q456-T458 PolarHBondContact O-N 2.85Å; Q456-A459 PolarHBondContact O-N 2.96Å; Q456-E460 HydrophobicContact CG-CG 4.49Å; Q456-E460 WeakPolarHBondContact CG-OE1 3.45Å; Q456-E460 PolarHBondContact NE2-OE1 3.48Å; Q456-E460 WeakPolarHBondContact O-CG 3.38Å; Q456-E460 PolarHBondContact O-N 3.23Å |
| 457 | R | 94.6 | Very high | 95.5 | Very high | 167 Ų | 167 | 110.3 Ų | 110.3 | 63% | 0.63 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.5 | -41.9 | 177.5 | -75 | -179.2 | -169 | 156.5 | 2.8 | 112 | L453 S454 E460 Q461 | L453-R457 WeakPolarHBondContact O-CG 3.38Å; L453-R457 PolarHBondContact O-N 3.28Å; S454-R457 PolarHBondContact O-N 2.82Å; S454-R457 VanDerWaalsContact O-N 3.12Å; R457-E460 PolarHBondContact O-N 3.11Å; R457-Q461 WeakPolarHBondContact O-CG 3.36Å; R457-Q461 PolarHBondContact O-N 2.88Å |
| 458 | T | 95.6 | Very high | 95.5 | Very high | 79 Ų | 79 | 109.2 Ų | 109.2 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 176.7 | -55 | 0 | 0 | 0 | 0 | 111.2 | S454 R455 Q456 E460 Q461 E462 | S454-T458 PolarHBondContact O-N 3.5Å; S454-T458 PolarHBondContact O-OG1 3.4Å; R455-T458 PolarHBondContact O-N 3.11Å; Q456-T458 VanDerWaalsContact C-N 3.33Å; Q456-T458 PolarHBondContact O-N 2.85Å; T458-E460 VanDerWaalsContact C-N 3.33Å; T458-E460 PolarHBondContact O-N 3.3Å; T458-Q461 PolarHBondContact O-N 3.18Å; T458-E462 WeakPolarHBondContact O-CB 3.4Å; T458-E462 PolarHBondContact O-N 3.06Å |
| 459 | A | 95.3 | Very high | 95.5 | Very high | 54 Ų | 54 | 110.2 Ų | 110.2 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R455 Q456 L463 | R455-A459 WeakPolarHBondContact O-CB 3.4Å; R455-A459 PolarHBondContact O-N 3.3Å; Q456-A459 PolarHBondContact O-N 2.96Å; A459-L463 WeakPolarHBondContact O-CB 3.34Å; A459-L463 PolarHBondContact O-N 3.19Å |
| 460 | E | 96.7 | Very high | 95.4 | Very high | 106 Ų | 106 | 113.5 Ų | 113.5 | 50% | 0.495 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 175.1 | -74.7 | 173.7 | -171.5 | 0 | 0 | 112.2 | Q456 R457 T458 L463 K464 | Q456-E460 HydrophobicContact CG-CG 4.49Å; Q456-E460 WeakPolarHBondContact CG-OE1 3.45Å; Q456-E460 PolarHBondContact NE2-OE1 3.48Å; Q456-E460 WeakPolarHBondContact O-CG 3.38Å; Q456-E460 PolarHBondContact O-N 3.23Å; R457-E460 PolarHBondContact O-N 3.11Å; T458-E460 VanDerWaalsContact C-N 3.33Å; T458-E460 PolarHBondContact O-N 3.3Å; E460-L463 PolarHBondContact O-N 2.85Å; E460-K464 WeakPolarHBondContact O-CB 3.46Å; E460-K464 PolarHBondContact O-N 3.03Å |
| 461 | Q | 96.8 | Very high | 95.2 | Very high | 138 Ų | 138 | 113.3 Ų | 113.3 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.5 | -44 | 175.1 | -76.1 | -179.7 | -17 | 0 | 0 | 111.9 | R457 T458 K464 Q465 | R457-Q461 WeakPolarHBondContact O-CG 3.36Å; R457-Q461 PolarHBondContact O-N 2.88Å; T458-Q461 PolarHBondContact O-N 3.18Å; Q461-K464 PolarHBondContact O-N 3.38Å; Q461-Q465 PolarHBondContact O-N 3.43Å |
| 462 | E | 96.1 | Very high | 95 | Very high | 83 Ų | 83 | 113.2 Ų | 113.2 | 39% | 0.388 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 176.7 | -170.6 | -172.2 | 165.6 | 0 | 0 | 111.6 | T458 Q465 R466 | T458-E462 WeakPolarHBondContact O-CB 3.4Å; T458-E462 PolarHBondContact O-N 3.06Å; E462-Q465 PolarHBondContact O-N 3.37Å; E462-R466 VanDerWaalsContact CD-NH1 3.28Å; E462-R466 WeakPolarHBondContact O-CG 3.48Å; E462-R466 PolarHBondContact O-N 3.32Å; E462-R466 IonicContact OE1-CZ 2.97Å; E462-R466 IonicContact OE1-NH1 2.74Å; E462-R466 PolarHBondContact OE1-NH1 3.16Å; E462-R466 IonicContact OE1-NH2 2.62Å; E462-R466 PolarHBondContact OE1-NH2 3.11Å |
| 463 | L | 97.2 | Very high | 94.6 | Very high | 102 Ų | 102 | 107.7 Ų | 107.7 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 174.4 | 179 | 62.1 | 0 | 0 | 0 | 111.7 | A459 E460 Q465 R466 L467 | A459-L463 WeakPolarHBondContact O-CB 3.34Å; A459-L463 PolarHBondContact O-N 3.19Å; E460-L463 PolarHBondContact O-N 2.85Å; L463-Q465 VanDerWaalsContact C-N 3.35Å; L463-Q465 PolarHBondContact O-N 2.89Å; L463-R466 PolarHBondContact O-N 3.47Å; L463-L467 HydrophobicContact CD1-CD1 4.41Å; L463-L467 HydrophobicContact CD1-CG 4.37Å; L463-L467 HydrophobicContact CG-CD1 4.25Å; L463-L467 WeakPolarHBondContact O-CG 3.22Å; L463-L467 PolarHBondContact O-N 2.97Å |
| 464 | K | 96.9 | Very high | 94.2 | Very high | 150 Ų | 150 | 105.8 Ų | 105.8 | 65% | 0.652 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.3 | -46.5 | 176.8 | -176.9 | -177.7 | 175.9 | -174.4 | 0 | 111 | E460 Q461 L467 E468 | E460-K464 WeakPolarHBondContact O-CB 3.46Å; E460-K464 PolarHBondContact O-N 3.03Å; Q461-K464 PolarHBondContact O-N 3.38Å; K464-L467 PolarHBondContact O-N 3.11Å; K464-E468 PolarHBondContact O-N 3.33Å |
| 465 | Q | 95.5 | Very high | 93.5 | Very high | 109 Ų | 109 | 109.4 Ų | 109.4 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.7 | -48 | 177.1 | -178.5 | -178.7 | -4.4 | 0 | 0 | 111.5 | Q461 E462 L463 L467 E468 E469 | Q461-Q465 PolarHBondContact O-N 3.43Å; E462-Q465 PolarHBondContact O-N 3.37Å; L463-Q465 VanDerWaalsContact C-N 3.35Å; L463-Q465 PolarHBondContact O-N 2.89Å; Q465-L467 VanDerWaalsContact C-N 3.3Å; Q465-L467 PolarHBondContact O-N 3.31Å; Q465-E468 PolarHBondContact O-N 2.75Å; Q465-E469 HydrophobicContact CG-CG 4.45Å; Q465-E469 WeakPolarHBondContact CG-OE1 3.41Å; Q465-E469 PolarHBondContact NE2-OE1 2.94Å; Q465-E469 WeakPolarHBondContact O-CG 3.44Å; Q465-E469 PolarHBondContact O-N 2.89Å |
| 466 | R | 95.7 | Very high | 92.8 | Very high | 141 Ų | 141 | 107.3 Ų | 107.3 | 53% | 0.532 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.4 | -38.4 | 177.6 | -75.5 | -176.8 | 175 | 123.3 | 3.6 | 113 | E462 L463 R470 | E462-R466 VanDerWaalsContact CD-NH1 3.28Å; E462-R466 WeakPolarHBondContact O-CG 3.48Å; E462-R466 PolarHBondContact O-N 3.32Å; E462-R466 IonicContact OE1-CZ 2.97Å; E462-R466 IonicContact OE1-NH1 2.74Å; E462-R466 PolarHBondContact OE1-NH1 3.16Å; E462-R466 IonicContact OE1-NH2 2.62Å; E462-R466 PolarHBondContact OE1-NH2 3.11Å; L463-R466 PolarHBondContact O-N 3.47Å; R466-R470 VanDerWaalsContact O-CB 3.3Å; R466-R470 WeakPolarHBondContact O-CB 3.43Å; R466-R470 PolarHBondContact O-N 3.06Å |
| 467 | L | 95.5 | Very high | 92.2 | Very high | 84 Ų | 84 | 111.5 Ų | 111.5 | 44% | 0.44 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 176.6 | -73.7 | 174.3 | 0 | 0 | 0 | 111.5 | L463 K464 Q465 R470 D471 | L463-L467 HydrophobicContact CD1-CD1 4.41Å; L463-L467 HydrophobicContact CD1-CG 4.37Å; L463-L467 HydrophobicContact CG-CD1 4.25Å; L463-L467 WeakPolarHBondContact O-CG 3.22Å; L463-L467 PolarHBondContact O-N 2.97Å; K464-L467 PolarHBondContact O-N 3.11Å; Q465-L467 VanDerWaalsContact C-N 3.3Å; Q465-L467 PolarHBondContact O-N 3.31Å; L467-R470 PolarHBondContact O-N 3.3Å; L467-D471 WeakPolarHBondContact O-CB 3.3Å; L467-D471 PolarHBondContact O-N 3.01Å |
| 468 | E | 95.1 | Very high | 91.3 | Very high | 117 Ų | 117 | 112.6 Ų | 112.6 | 55% | 0.547 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 174.7 | -174.9 | 173.2 | 178.4 | 0 | 0 | 111.6 | K464 Q465 R470 D471 Q472 | K464-E468 PolarHBondContact O-N 3.33Å; Q465-E468 PolarHBondContact O-N 2.75Å; E468-R470 VanDerWaalsContact C-N 3.33Å; E468-R470 PolarHBondContact O-N 3.42Å; E468-D471 PolarHBondContact O-N 3.4Å; E468-Q472 WeakPolarHBondContact O-CB 3.48Å; E468-Q472 VanDerWaalsContact O-CG 3.26Å; E468-Q472 WeakPolarHBondContact O-CG 3.26Å; E468-Q472 PolarHBondContact O-N 2.97Å |
| 469 | E | 93 | Very high | 90.1 | Very high | 106 Ų | 106 | 112.9 Ų | 112.9 | 50% | 0.495 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 174.7 | -73.6 | 171.8 | -173.4 | 0 | 0 | 112 | Q465 A473 | Q465-E469 HydrophobicContact CG-CG 4.45Å; Q465-E469 WeakPolarHBondContact CG-OE1 3.41Å; Q465-E469 PolarHBondContact NE2-OE1 2.94Å; Q465-E469 WeakPolarHBondContact O-CG 3.44Å; Q465-E469 PolarHBondContact O-N 2.89Å; E469-A473 VanDerWaalsContact O-CB 3.28Å; E469-A473 WeakPolarHBondContact O-CB 3.32Å; E469-A473 PolarHBondContact O-N 2.88Å |
| 470 | R | 93.2 | Very high | 88.6 | Confident | 176 Ų | 176 | 115.2 Ų | 115.2 | 66% | 0.664 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.9 | -40.2 | 176.6 | -171 | -176.3 | 70.2 | 146 | 1.6 | 111.8 | R466 L467 E468 A473 S474 | R466-R470 VanDerWaalsContact O-CB 3.3Å; R466-R470 WeakPolarHBondContact O-CB 3.43Å; R466-R470 PolarHBondContact O-N 3.06Å; L467-R470 PolarHBondContact O-N 3.3Å; E468-R470 VanDerWaalsContact C-N 3.33Å; E468-R470 PolarHBondContact O-N 3.42Å; R470-A473 PolarHBondContact O-N 3Å; R470-S474 WeakPolarHBondContact O-CB 3.48Å; R470-S474 PolarHBondContact O-N 3.1Å |
| 471 | D | 92.3 | Very high | 86.7 | Confident | 112 Ų | 112 | 114 Ų | 114 | 60% | 0.599 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.7 | -44.1 | 177.5 | -166.3 | 52.7 | 0 | 0 | 0 | 110.8 | L467 E468 A473 S474 W475 | L467-D471 WeakPolarHBondContact O-CB 3.3Å; L467-D471 PolarHBondContact O-N 3.01Å; E468-D471 PolarHBondContact O-N 3.4Å; D471-A473 PolarHBondContact O-N 3.1Å; D471-S474 CarbonylContact O-C 3.59Å; D471-S474 PolarHBondContact O-N 3Å; D471-W475 VanDerWaalsContact O-CB 3.29Å; D471-W475 WeakPolarHBondContact O-CB 3.32Å; D471-W475 PolarHBondContact O-N 2.95Å |
| 472 | Q | 89 | Confident | 84.4 | Confident | 92 Ų | 92 | 117 Ų | 117 | 43% | 0.43 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -56.1 | -50.3 | 170.8 | -74.1 | -70.8 | -14.8 | 0 | 0 | 111.3 | E468 S474 W475 H476 | E468-Q472 WeakPolarHBondContact O-CB 3.48Å; E468-Q472 VanDerWaalsContact O-CG 3.26Å; E468-Q472 WeakPolarHBondContact O-CG 3.26Å; E468-Q472 PolarHBondContact O-N 2.97Å; Q472-S474 VanDerWaalsContact C-N 3.31Å; Q472-S474 PolarHBondContact O-N 3.1Å; Q472-W475 PolarHBondContact O-N 3.04Å; Q472-H476 PolarHBondContact O-N 3.47Å; Q472-H476 PolarHBondContact O-ND1 2.96Å |
| 473 | A | 87.2 | Confident | 82.5 | Confident | 48 Ų | 48 | 119.5 Ų | 119.5 | 40% | 0.397 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.3 | -36.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E469 R470 D471 K477 | E469-A473 VanDerWaalsContact O-CB 3.28Å; E469-A473 WeakPolarHBondContact O-CB 3.32Å; E469-A473 PolarHBondContact O-N 2.88Å; R470-A473 PolarHBondContact O-N 3Å; D471-A473 PolarHBondContact O-N 3.1Å; A473-K477 VanDerWaalsContact O-CG 3.3Å; A473-K477 WeakPolarHBondContact O-CG 3.47Å; A473-K477 PolarHBondContact O-N 3.34Å; A473-K477 VanDerWaalsContact O-N 3.13Å |
| 474 | S | 86.9 | Confident | 80.5 | Confident | 36 Ų | 36 | 117.2 Ų | 117.2 | 25% | 0.252 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.5 | -43.1 | 174.1 | -164.3 | 0 | 0 | 0 | 0 | 111.2 | R470 D471 Q472 K477 R478 | R470-S474 WeakPolarHBondContact O-CB 3.48Å; R470-S474 PolarHBondContact O-N 3.1Å; D471-S474 CarbonylContact O-C 3.59Å; D471-S474 PolarHBondContact O-N 3Å; Q472-S474 VanDerWaalsContact C-N 3.31Å; Q472-S474 PolarHBondContact O-N 3.1Å; S474-K477 PolarHBondContact O-N 3.13Å; S474-R478 WeakPolarHBondContact O-CB 3.1Å; S474-R478 VanDerWaalsContact O-CG 3.26Å; S474-R478 WeakPolarHBondContact O-CG 3.09Å; S474-R478 PolarHBondContact O-N 2.97Å; S474-R478 PolarHBondContact OG-NE 3.4Å; S474-R478 PolarHBondContact OG-NH2 2.85Å |
| 475 | W | 81.6 | Confident | 78.6 | Confident | 141 Ų | 141 | 114.2 Ų | 114.2 | 53% | 0.534 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.2 | -43.9 | 178 | -175 | 87.2 | 0 | 0 | 0 | 111.5 | D471 Q472 K477 R478 Q479 | D471-W475 VanDerWaalsContact O-CB 3.29Å; D471-W475 WeakPolarHBondContact O-CB 3.32Å; D471-W475 PolarHBondContact O-N 2.95Å; Q472-W475 PolarHBondContact O-N 3.04Å; W475-K477 PolarHBondContact O-N 3.32Å; W475-R478 PolarHBondContact O-N 3.43Å; W475-Q479 HydrophobicContact CE3-CG 4.36Å; W475-Q479 HydrophobicContact CH2-CG 4.5Å; W475-Q479 VanDerWaalsContact CZ2-NE2 3.31Å; W475-Q479 HydrophobicContact CZ3-CG 4.28Å; W475-Q479 WeakPolarHBondContact O-CG 3.35Å; W475-Q479 PolarHBondContact O-N 3.17Å; W475-Q479 PolarHBondContact O-NE2 3.25Å |
| 476 | H | 79.4 | Confident | 76.8 | Confident | 117 Ų | 117 | 114.4 Ų | 114.4 | 54% | 0.542 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.5 | -40.8 | 173.8 | -76.1 | 81.1 | 0 | 0 | 0 | 112.2 | Q472 Q479 | Q472-H476 PolarHBondContact O-N 3.47Å; Q472-H476 PolarHBondContact O-ND1 2.96Å; H476-Q479 WeakPolarHBondContact O-CB 3.36Å; H476-Q479 PolarHBondContact O-N 3.05Å |
| 477 | K | 82.2 | Confident | 74.9 | Confident | 184 Ų | 184 | 114 Ų | 114 | 80% | 0.8 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.6 | -30 | 176 | -73.8 | 176.1 | -178.6 | -176.5 | 0 | 113.7 | A473 S474 W475 Q479 | A473-K477 VanDerWaalsContact O-CG 3.3Å; A473-K477 WeakPolarHBondContact O-CG 3.47Å; A473-K477 PolarHBondContact O-N 3.34Å; A473-K477 VanDerWaalsContact O-N 3.13Å; S474-K477 PolarHBondContact O-N 3.13Å; W475-K477 PolarHBondContact O-N 3.32Å; K477-Q479 VanDerWaalsContact C-N 3.35Å |
| 478 | R | 77.1 | Confident | 73.1 | Confident | 190 Ų | 190 | 118.3 Ų | 118.3 | 72% | 0.717 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -83 | -13.4 | 177.1 | -71 | 176.7 | -162 | -153.2 | 4.6 | 112.8 | S474 W475 P480 | S474-R478 WeakPolarHBondContact O-CB 3.1Å; S474-R478 VanDerWaalsContact O-CG 3.26Å; S474-R478 WeakPolarHBondContact O-CG 3.09Å; S474-R478 PolarHBondContact O-N 2.97Å; S474-R478 PolarHBondContact OG-NE 3.4Å; S474-R478 PolarHBondContact OG-NH2 2.85Å; W475-R478 PolarHBondContact O-N 3.43Å; R478-P480 WeakPolarHBondContact O-CD 3.21Å |
| 479 | Q | 69.1 | Low | 71.1 | Confident | 84 Ų | 84 | 118.4 Ų | 118.4 | 39% | 0.393 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -55.6 | 118.6 | 167.7 | -65.9 | -49.5 | -61.8 | 0 | 0 | 106.1 | W475 H476 K477 G481 | W475-Q479 HydrophobicContact CE3-CG 4.36Å; W475-Q479 HydrophobicContact CH2-CG 4.5Å; W475-Q479 VanDerWaalsContact CZ2-NE2 3.31Å; W475-Q479 HydrophobicContact CZ3-CG 4.28Å; W475-Q479 WeakPolarHBondContact O-CG 3.35Å; W475-Q479 PolarHBondContact O-N 3.17Å; W475-Q479 PolarHBondContact O-NE2 3.25Å; H476-Q479 WeakPolarHBondContact O-CB 3.36Å; H476-Q479 PolarHBondContact O-N 3.05Å; K477-Q479 VanDerWaalsContact C-N 3.35Å; Q479-G481 PolarHBondContact O-N 2.99Å |
| 480 | P | 63.6 | Low | 69.4 | Low | 104 Ų | 104 | 122.1 Ų | 122.1 | 68% | 0.675 | 59% | 0.588 | S | S | * | * | | | trans | -49.4 | 134.2 | 165.3 | -17.7 | 29.3 | 0 | 0 | 0 | 105.3 | R478 R482 | R478-P480 WeakPolarHBondContact O-CD 3.21Å; P480-R482 PolarHBondContact O-N 3.04Å |
| 481 | G | 57.6 | Low | 67.6 | Low | 80 Ų | 80 | 118.8 Ų | 118.8 | 83% | 0.825 | 59% | 0.589 | S | S | * | * | | | trans | -61.2 | 69.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q479 L483 | Q479-G481 PolarHBondContact O-N 2.99Å; G481-L483 PolarHBondContact O-N 2.77Å |
| 482 | R | 49.2 | Very low | 66.1 | Low | 201 Ų | 201 | 117.4 Ų | 117.4 | 76% | 0.758 | 59% | 0.594 | S | S | * | * | | | trans | -74.9 | 69.4 | 160.3 | -121.7 | -174.2 | -174.6 | -149.1 | 3.2 | 103.7 | P480 D484 | P480-R482 PolarHBondContact O-N 3.04Å; R482-D484 PolarHBondContact O-N 3.28Å |
| 483 | L | 55.3 | Low | 64.8 | Low | 136 Ų | 136 | 117 Ų | 117 | 71% | 0.712 | 60% | 0.601 | S | S | * | * | | | | -45.6 | 95.2 | 124.6 | -103.3 | 149.2 | 0 | 0 | 0 | 103.2 | G481 P485 | G481-L483 PolarHBondContact O-N 2.77Å; L483-P485 WeakPolarHBondContact O-CD 3.38Å |
| 484 | D | 54.7 | Low | 63.3 | Low | 54 Ų | 54 | 123.2 Ų | 123.2 | 29% | 0.289 | 61% | 0.614 | S | S | . | * | | | trans | -49.2 | 113.8 | 178.9 | -160.2 | 2.9 | 0 | 0 | 0 | 103.9 | R482 L486 L487 | R482-D484 PolarHBondContact O-N 3.28Å; D484-L486 PolarHBondContact O-N 2.75Å; D484-L487 HydrophobicContact CB-CB 3.96Å; D484-L487 HydrophobicContact CB-CD1 3.66Å; D484-L487 HydrophobicContact CB-CG 3.91Å; D484-L487 WeakPolarHBondContact O-CB 3.42Å; D484-L487 PolarHBondContact O-N 3.37Å |
| 485 | P | 57.3 | Low | 61.8 | Low | 86 Ų | 86 | 127.7 Ų | 127.7 | 56% | 0.558 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -55.6 | -23.7 | -177.7 | -25.2 | 34.7 | 0 | 0 | 0 | 109.6 | L483 Y489 | L483-P485 WeakPolarHBondContact O-CD 3.38Å; P485-Y489 WeakPolarHBondContact O-CD2 3.37Å |
| 486 | L | 57.6 | Low | 60.5 | Low | 114 Ų | 114 | 125.5 Ų | 125.5 | 60% | 0.597 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -78.7 | -16.8 | 174.2 | -57.4 | 176 | 0 | 0 | 0 | 115.6 | D484 K488 Y489 | D484-L486 PolarHBondContact O-N 2.75Å; L486-K488 PolarHBondContact O-N 3.26Å; L486-Y489 CarbonylContact O-C 3.03Å; L486-Y489 VanDerWaalsContact O-CA 3.31Å; L486-Y489 WeakPolarHBondContact O-CA 3.21Å; L486-Y489 PolarHBondContact O-N 2.83Å |
| 487 | L | 55.5 | Low | 59.4 | Low | 133 Ų | 133 | 126.4 Ų | 126.4 | 70% | 0.696 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -66.9 | -25.2 | 168.9 | -96.9 | 158.2 | 0 | 0 | 0 | 111.6 | D484 Y489 | D484-L487 HydrophobicContact CB-CB 3.96Å; D484-L487 HydrophobicContact CB-CD1 3.66Å; D484-L487 HydrophobicContact CB-CG 3.91Å; D484-L487 WeakPolarHBondContact O-CB 3.42Å; D484-L487 PolarHBondContact O-N 3.37Å; L487-Y489 VanDerWaalsContact C-N 3.28Å |
| 488 | K | 57.7 | Low | 58.3 | Low | 174 Ų | 174 | 125.8 Ų | 125.8 | 76% | 0.757 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -73.8 | -19.3 | 166 | -71.8 | -173.4 | 178.2 | -176.2 | 0 | 112.9 | L486 | L486-K488 PolarHBondContact O-N 3.26Š|
| 489 | Y | 53.8 | Low | 57.1 | Low | 119 Ų | 119 | 123.8 Ų | 123.8 | 47% | 0.467 | 65% | 0.653 | S | S | . | * | | | trans | -109.7 | 66.1 | 176.9 | -64.6 | -85.7 | 0 | 0 | 0 | 109.8 | P485 L486 L487 P491 | P485-Y489 WeakPolarHBondContact O-CD2 3.37Å; L486-Y489 CarbonylContact O-C 3.03Å; L486-Y489 VanDerWaalsContact O-CA 3.31Å; L486-Y489 WeakPolarHBondContact O-CA 3.21Å; L486-Y489 PolarHBondContact O-N 2.83Å; L487-Y489 VanDerWaalsContact C-N 3.28Å; Y489-P491 WeakPolarHBondContact O-CD 3.18Å |
| 490 | R | 56.7 | Low | 56.1 | Low | 184 Ų | 184 | 126.1 Ų | 126.1 | 69% | 0.694 | 67% | 0.668 | S | S | * | * | | | trans | -58.6 | 112.5 | 167.6 | -146.5 | -179.1 | -170.7 | 165.2 | 2.8 | 107 | A492 S493 | R490-A492 PolarHBondContact O-N 2.94Å; R490-S493 PolarHBondContact O-N 3.44Å; R490-S493 PolarHBondContact O-OG 2.7Å |
| 491 | P | 56.6 | Low | 55 | Low | 106 Ų | 106 | 130.7 Ų | 130.7 | 69% | 0.688 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -61.5 | -32.1 | -176.5 | -22 | 34.2 | 0 | 0 | 0 | 111.1 | Y489 S493 R494 M495 | Y489-P491 WeakPolarHBondContact O-CD 3.18Å; P491-S493 PolarHBondContact O-N 3.3Å; P491-R494 PolarHBondContact O-N 2.79Å; P491-M495 WeakPolarHBondContact O-CG 3.25Å; P491-M495 PolarHBondContact O-N 3.05Å |
| 492 | A | 60.7 | Low | 54.6 | Low | 83 Ų | 83 | 133.6 Ų | 133.6 | 69% | 0.686 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -64.5 | -17.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R490 | R490-A492 PolarHBondContact O-N 2.94Š|
| 493 | S | 60.4 | Low | 54.5 | Low | 83 Ų | 83 | 131.6 Ų | 131.6 | 58% | 0.58 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -97.9 | -0.3 | 176.2 | 74.5 | 0 | 0 | 0 | 0 | 113.7 | R490 P491 | R490-S493 PolarHBondContact O-N 3.44Å; R490-S493 PolarHBondContact O-OG 2.7Å; P491-S493 PolarHBondContact O-N 3.3Å |
| 494 | R | 55.7 | Low | 54.2 | Low | 178 Ų | 178 | 134.1 Ų | 134.1 | 67% | 0.672 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.1 | -12.5 | 176.1 | -83.1 | -170.2 | 177.5 | -163.9 | -3.2 | 114 | P491 P496 | P491-R494 PolarHBondContact O-N 2.79Å; R494-P496 VanDerWaalsContact O-CD 3.27Å; R494-P496 WeakPolarHBondContact O-CD 3.31Å |
| 495 | M | 55.2 | Low | 53.7 | Low | 130 Ų | 130 | 140.5 Ų | 140.5 | 64% | 0.64 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -61.1 | 119.2 | 168.8 | -79.7 | -66.1 | -68.2 | 0 | 0 | 108.4 | P491 T497 | P491-M495 WeakPolarHBondContact O-CG 3.25Å; P491-M495 PolarHBondContact O-N 3.05Å; M495-T497 PolarHBondContact O-N 3.39Å |
| 496 | P | 55.2 | Low | 52.9 | Low | 96 Ų | 96 | 143.7 Ų | 143.7 | 62% | 0.623 | 76% | 0.76 | S | S | * | * | | | trans | -57.8 | 113.2 | 170.5 | -16.6 | 29.1 | 0 | 0 | 0 | 107.3 | R494 Q498 | R494-P496 VanDerWaalsContact O-CD 3.27Å; R494-P496 WeakPolarHBondContact O-CD 3.31Å; P496-Q498 PolarHBondContact O-N 3.39Å |
| 497 | T | 56.8 | Low | 52.7 | Low | 135 Ų | 135 | 145.2 Ų | 145.2 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -69.3 | 15.3 | 172.2 | 0.1 | 0 | 0 | 0 | 0 | 112.3 | M495 | M495-T497 PolarHBondContact O-N 3.39Š|
| 498 | Q | 57.5 | Low | 52.5 | Low | 171 Ų | 171 | 145.8 Ų | 145.8 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | trans | -117.1 | 57.2 | -178.7 | -61.9 | -170.5 | -4.7 | 0 | 0 | 110.2 | P496 N500 | P496-Q498 PolarHBondContact O-N 3.39Å; Q498-N500 VanDerWaalsContact C-N 3.33Å |
| 499 | L | 52.4 | Low | 52.2 | Low | 149 Ų | 149 | 144.2 Ų | 144.2 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | | | trans | -107.3 | 50.8 | 147.5 | -67.2 | 177.2 | 0 | 0 | 0 | 107.7 | | |
| 500 | N | 48.2 | Very low | 52.2 | Low | 132 Ų | 132 | 145.7 Ų | 145.7 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | -97.1 | 90.6 | 169.4 | -97.2 | -29.5 | 0 | 0 | 0 | 108.6 | Q498 | Q498-N500 VanDerWaalsContact C-N 3.33Š|
| 501 | Y | 41.7 | Very low | 51.9 | Low | 201 Ų | 201 | 143.3 Ų | 143.3 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | | | trans | 20.2 | 101.8 | 142.8 | -59.2 | -86.8 | 0 | 0 | 0 | 117.4 | | |
| 502 | T | 48.9 | Very low | 51.5 | Low | 140 Ų | 140 | 145.8 Ų | 145.8 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | | | trans | -119.4 | 63.4 | 146.7 | 47 | 0 | 0 | 0 | 0 | 109.1 | | |
| 503 | L | 47.3 | Very low | 50.9 | Low | 160 Ų | 160 | 150.3 Ų | 150.3 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | | | trans | -102.4 | 59.9 | 165.7 | -160.8 | 100.9 | 0 | 0 | 0 | 109.2 | | |
| 504 | K | 47.4 | Very low | 50.2 | Low | 189 Ų | 189 | 155.5 Ų | 155.5 | 82% | 0.822 | 83% | 0.831 | S | S | * | * | | | trans | -168.2 | 121.5 | 172.9 | -75.8 | -147 | 179.3 | -170.6 | 0 | 104.8 | | |
| 505 | Q | 45.8 | Very low | 49.7 | Very low | 188 Ų | 188 | 153.6 Ų | 153.6 | 88% | 0.879 | 84% | 0.844 | S | S | * | * | | | cis | -150.6 | 142.3 | 22.8 | -80.1 | 159.3 | -29 | 0 | 0 | 108.2 | | |
| 506 | G | 40.1 | Very low | 49.2 | Very low | 152 Ų | 152 | 155.7 Ų | 155.7 | 100% | 1.567 | 86% | 0.863 | S | S | * | * | | | trans | -98.9 | 0 | 145.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |