| 1 | M | 36.5 | Very low | 40.8 | Very low | 244 Ų | 244 | 123 Ų | 123 | 100% | 1.202 | 81% | 0.813 | S | S | * | * | | | | 0 | 154.2 | 0 | -69.8 | 153.2 | 70.9 | 0 | 0 | 108.1 | | |
| 2 | S | 37.7 | Very low | 40.9 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | -67.4 | 169 | 170.9 | -30.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 3 | T | 41.8 | Very low | 41 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 85% | 0.847 | 82% | 0.816 | S | S | * | * | | | cis | -115.9 | -154.9 | -5.4 | 47.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 4 | A | 42.6 | Very low | 41.6 | Very low | 78 Ų | 78 | 127.7 Ų | 127.7 | 65% | 0.645 | 82% | 0.815 | S | S | * | * | | | cis | -153.3 | 170.5 | 0.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 5 | S | 44.5 | Very low | 42.2 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | | | cis | 78.2 | 127.3 | 18.7 | -44.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 6 | S | 43.4 | Very low | 42 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | | | cis | -162 | 157.9 | -12.9 | -80.5 | 0 | 0 | 0 | 0 | 111 | | |
| 7 | S | 44.4 | Very low | 42.6 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | | | trans | 25.1 | 133.8 | 147.6 | 62.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 8 | S | 39.1 | Very low | 43.1 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | | | trans | -162.6 | 159.8 | 131.1 | -84 | 0 | 0 | 0 | 0 | 111.6 | | |
| 9 | S | 40.8 | Very low | 43.6 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | | | trans | -124.4 | 155.2 | -162.5 | -51.7 | 0 | 0 | 0 | 0 | 114 | | |
| 10 | S | 40.1 | Very low | 43.4 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | | | | 154 | 159.2 | 110.9 | -163.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 11 | S | 38 | Very low | 43.4 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 69% | 0.692 | 83% | 0.825 | S | S | * | * | | | trans | 82.2 | 90.8 | 148.2 | -56.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 12 | S | 41.9 | Very low | 43.4 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | | | | 46.1 | 111.5 | 118.7 | -49.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 13 | Q | 41.4 | Very low | 43.6 | Very low | 196 Ų | 196 | 141.2 Ų | 141.2 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | | | | 178.6 | 158.2 | 113.7 | -100.1 | 172.6 | 86.2 | 0 | 0 | 113.2 | | |
| 14 | T | 49.7 | Very low | 43.8 | Very low | 132 Ų | 132 | 146 Ų | 146 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | | | trans | -120.3 | 133.1 | 179.4 | 50.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 15 | P | 50.3 | Low | 43.6 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | | | trans | -114.6 | 161.7 | 165.7 | 28.5 | -12.6 | 0 | 0 | 0 | 114 | | |
| 16 | H | 39.3 | Very low | 43.2 | Very low | 180 Ų | 180 | 147.2 Ų | 147.2 | 83% | 0.833 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 159 | -171.7 | -59.8 | -103.3 | 0 | 0 | 0 | 114.2 | | |
| 17 | P | 53.4 | Low | 43 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 79% | 0.786 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 153.5 | 169.5 | 32.8 | -34.7 | 0 | 0 | 0 | 114.1 | | |
| 18 | P | 51.7 | Low | 42.5 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 79% | 0.792 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 173.3 | -171.7 | 36.5 | -38 | 0 | 0 | 0 | 116 | | |
| 19 | P | 51.6 | Low | 42.5 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | | | trans | -102.3 | 179.4 | -156.6 | 40.1 | -38.2 | 0 | 0 | 0 | 117.7 | | |
| 20 | Q | 40.3 | Very low | 42.9 | Very low | 199 Ų | 199 | 145.9 Ų | 145.9 | 93% | 0.93 | 83% | 0.833 | S | S | * | * | | | trans | -70 | 162.6 | -179.7 | -66.3 | 179.9 | -24.2 | 0 | 0 | 114.9 | | |
| 21 | R | 41.9 | Very low | 43.6 | Very low | 247 Ų | 247 | 147 Ų | 147 | 93% | 0.932 | 84% | 0.837 | S | S | * | * | | | trans | -117.4 | 124.5 | -176.5 | -166.8 | -176.5 | -165.8 | -166 | 6.9 | 112.9 | | |
| 22 | M | 37.1 | Very low | 43.5 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 85% | 0.847 | 84% | 0.841 | S | S | * | * | | | trans | -77.3 | 163.2 | 176.9 | -62.8 | 162.3 | 64.5 | 0 | 0 | 113.8 | | |
| 23 | R | 42.8 | Very low | 43.1 | Very low | 246 Ų | 246 | 148.6 Ų | 148.6 | 93% | 0.928 | 85% | 0.847 | S | S | * | * | | | trans | -123.9 | 159.7 | 151.7 | -64.9 | -168.4 | 89.1 | -153.7 | 7.8 | 110.7 | | |
| 24 | R | 45 | Very low | 43.2 | Very low | 237 Ų | 237 | 144.3 Ų | 144.3 | 89% | 0.894 | 85% | 0.846 | S | S | * | * | | | trans | -98.5 | 178.5 | -168.3 | -61.9 | 177.1 | -176.3 | -163.9 | -0.5 | 111.6 | | |
| 25 | S | 38.3 | Very low | 42.5 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 78% | 0.783 | 85% | 0.85 | S | S | * | * | | | cis | 172.3 | 128.9 | -36.7 | -74.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 26 | A | 37.2 | Very low | 42.1 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 87% | 0.868 | 86% | 0.856 | S | S | * | * | | | trans | -176.5 | 161.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 27 | A | 39.1 | Very low | 41.8 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 84% | 0.835 | 85% | 0.854 | S | S | * | * | | | cis | -171.5 | 146.1 | -39.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 28 | G | 33.4 | Very low | 41 | Very low | 81 Ų | 81 | 138.4 Ų | 138.4 | 84% | 0.835 | 86% | 0.862 | S | S | * | * | | | trans | 111.3 | 117.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 29 | S | 38.3 | Very low | 40.1 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 85% | 0.846 | 86% | 0.861 | S | S | * | * | | | trans | -136.1 | 156.5 | 160.5 | -56.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 30 | P | 50.2 | Low | 39.3 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 83% | 0.825 | 87% | 0.866 | S | S | * | * | | | trans | -139.4 | 152.7 | 130.4 | 37.4 | -26.6 | 0 | 0 | 0 | 113.7 | | |
| 31 | P | 55.3 | Low | 38.9 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 84% | 0.844 | 86% | 0.859 | S | S | * | * | | | trans | -107.2 | 137.1 | 177.5 | 37.3 | -29.9 | 0 | 0 | 0 | 114.2 | | |
| 32 | A | 35.3 | Very low | 38.7 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 78% | 0.777 | 86% | 0.859 | S | S | * | * | | | trans | -171.2 | 150 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 33 | V | 34.7 | Very low | 38.6 | Very low | 146 Ų | 146 | 121.5 Ų | 121.5 | 89% | 0.885 | 86% | 0.856 | S | S | * | * | | | cis | -151.8 | 167 | -26.9 | -88.4 | 0 | 0 | 0 | 0 | 107.1 | | |
| 34 | A | 43.5 | Very low | 38.1 | Very low | 106 Ų | 106 | 114 Ų | 114 | 88% | 0.876 | 85% | 0.854 | S | S | * | * | | | trans | -100 | 141.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 35 | A | 34.4 | Very low | 37.7 | Very low | 110 Ų | 110 | 106.1 Ų | 106.1 | 91% | 0.909 | 85% | 0.847 | S | S | * | * | | | trans | -148.8 | 149 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 36 | A | 42.4 | Very low | 37.6 | Very low | 111 Ų | 111 | 107.4 Ų | 107.4 | 92% | 0.917 | 85% | 0.85 | S | S | * | * | | | trans | -118.2 | 150.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 37 | G | 31.1 | Very low | 37.7 | Very low | 78 Ų | 78 | 108 Ų | 108 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | | | trans | -172.2 | 132.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 38 | S | 38.1 | Very low | 37.6 | Very low | 135 Ų | 135 | 109.1 Ų | 109.1 | 94% | 0.944 | 85% | 0.848 | S | S | * | * | | | trans | -81.9 | 151.4 | -177.1 | -55.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 39 | G | 31.7 | Very low | 38 | Very low | 76 Ų | 76 | 109.9 Ų | 109.9 | 78% | 0.784 | 85% | 0.847 | S | S | * | * | | | trans | -164.1 | 116.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 40 | N | 35.8 | Very low | 38.2 | Very low | 172 Ų | 172 | 110.3 Ų | 110.3 | 92% | 0.92 | 85% | 0.846 | S | S | * | * | | | trans | -70 | 156.5 | -178.3 | -61.8 | -16 | 0 | 0 | 0 | 112.8 | | |
| 41 | G | 32.6 | Very low | 37.6 | Very low | 77 Ų | 77 | 109.1 Ų | 109.1 | 79% | 0.794 | 85% | 0.847 | S | S | * | * | | | trans | 161.4 | 136 | 151 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 42 | A | 36 | Very low | 36.9 | Very low | 112 Ų | 112 | 108 Ų | 108 | 93% | 0.926 | 85% | 0.849 | S | S | * | * | | | trans | -59.2 | 160.9 | 163 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 43 | G | 35.7 | Very low | 37 | Very low | 75 Ų | 75 | 107.1 Ų | 107.1 | 77% | 0.773 | 85% | 0.849 | S | S | * | * | | | cis | 146.4 | 147 | 5.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 44 | G | 32.4 | Very low | 37.7 | Very low | 87 Ų | 87 | 105.3 Ų | 105.3 | 90% | 0.897 | 85% | 0.849 | S | S | * | * | | | trans | 88 | 149.5 | -164.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 45 | G | 37.3 | Very low | 37.5 | Very low | 73 Ų | 73 | 103.2 Ų | 103.2 | 75% | 0.753 | 84% | 0.838 | S | S | * | * | | | cis | 153.1 | 66.7 | 0.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 46 | V | 35.8 | Very low | 38.3 | Very low | 139 Ų | 139 | 109.4 Ų | 109.4 | 84% | 0.842 | 84% | 0.838 | S | S | * | * | | | trans | -138 | 150.6 | 179.1 | -76.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 47 | S | 39.3 | Very low | 38.7 | Very low | 117 Ų | 117 | 112 Ų | 112 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | | | trans | -66.6 | 140.9 | 177.4 | 52.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 48 | C | 35.7 | Very low | 39.8 | Very low | 125 Ų | 125 | 116.4 Ų | 116.4 | 85% | 0.845 | 84% | 0.84 | S | S | * | * | | | trans | -128.3 | 133.1 | 160.8 | -75.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 49 | A | 41.7 | Very low | 40.6 | Very low | 97 Ų | 97 | 118.4 Ų | 118.4 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 150 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 50 | P | 43.3 | Very low | 41.6 | Very low | 129 Ų | 129 | 120.7 Ų | 120.7 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 144.2 | 168.3 | 31.4 | -33.4 | 0 | 0 | 0 | 111.1 | | |
| 51 | A | 38.2 | Very low | 42.1 | Very low | 102 Ų | 102 | 120.5 Ų | 120.5 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 163.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | G53 | A51-G53 PolarHBondContact O-N 2.79Š|
| 52 | A | 40.8 | Very low | 43 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | | | trans | -69.8 | 110.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 53 | G | 36.3 | Very low | 43.5 | Very low | 74 Ų | 74 | 126.3 Ų | 126.3 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | | | trans | -83 | 119.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A51 G55 | A51-G53 PolarHBondContact O-N 2.79Å; G53-G55 PolarHBondContact O-N 2.94Å |
| 54 | A | 49.1 | Very low | 44.4 | Very low | 108 Ų | 108 | 128.6 Ų | 128.6 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | | | trans | -76.6 | 57.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R56 | A54-R56 PolarHBondContact O-N 3.34Š|
| 55 | G | 40.9 | Very low | 45.3 | Very low | 63 Ų | 63 | 129.5 Ų | 129.5 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | | | trans | -71.9 | 119.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | G53 L57 | G53-G55 PolarHBondContact O-N 2.94Å; G55-L57 PolarHBondContact O-N 3.31Å |
| 56 | R | 49.9 | Very low | 45.9 | Very low | 240 Ų | 240 | 131.3 Ų | 131.3 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | | | trans | -71.3 | 89 | 177.2 | -72.8 | -179.8 | 175 | -98.2 | 1.7 | 111.3 | A54 L58 | A54-R56 PolarHBondContact O-N 3.34Å; R56-L58 PolarHBondContact O-N 3.25Å |
| 57 | L | 52.3 | Low | 46.3 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -58 | 117.8 | 169.4 | -67.5 | 174 | 0 | 0 | 0 | 110.1 | G55 Q59 | G55-L57 PolarHBondContact O-N 3.31Å; L57-Q59 PolarHBondContact O-N 3.4Å |
| 58 | L | 52.3 | Low | 47.1 | Very low | 171 Ų | 171 | 137 Ų | 137 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 117.2 | 175.4 | -66.9 | 173.9 | 0 | 0 | 0 | 109.1 | R56 | R56-L58 PolarHBondContact O-N 3.25Š|
| 59 | Q | 55.4 | Low | 47.6 | Very low | 176 Ų | 176 | 139 Ų | 139 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 142.4 | 177.6 | -68.4 | -166 | -10.8 | 0 | 0 | 111.2 | L57 I61 | L57-Q59 PolarHBondContact O-N 3.4Å; Q59-I61 PolarHBondContact O-N 3.07Å |
| 60 | P | 52.8 | Low | 47.8 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 126.1 | 177 | 26.7 | -33.8 | 0 | 0 | 0 | 110.4 | R62 | P60-R62 PolarHBondContact O-N 2.91Š|
| 61 | I | 47.6 | Very low | 48 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | | | trans | -68.9 | 101.5 | -178.8 | -60.7 | 173 | 0 | 0 | 0 | 109.2 | Q59 A63 | Q59-I61 PolarHBondContact O-N 3.07Å; I61-A63 PolarHBondContact O-N 3.25Å; I61-A63 VanDerWaalsContact O-N 3.07Å |
| 62 | R | 51.5 | Low | 47.9 | Very low | 224 Ų | 224 | 146 Ų | 146 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | | | trans | -74.4 | 96.6 | 176.1 | -164.4 | 180 | -166.7 | -170.9 | 4.4 | 109.6 | P60 T64 | P60-R62 PolarHBondContact O-N 2.91Å; R62-T64 PolarHBondContact O-N 3.29Å |
| 63 | A | 44.7 | Very low | 47.8 | Very low | 87 Ų | 87 | 146 Ų | 146 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | | | trans | -70.6 | 90.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I61 V65 | I61-A63 PolarHBondContact O-N 3.25Å; I61-A63 VanDerWaalsContact O-N 3.07Å; A63-V65 PolarHBondContact O-N 3.05Å |
| 64 | T | 56 | Low | 48.3 | Very low | 123 Ų | 123 | 150.5 Ų | 150.5 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | | | trans | -73.8 | 103.9 | 169 | 31.8 | 0 | 0 | 0 | 0 | 110.4 | R62 P66 | R62-T64 PolarHBondContact O-N 3.29Å; T64-P66 WeakPolarHBondContact O-CD 3.44Å |
| 65 | V | 50.1 | Low | 47.8 | Very low | 106 Ų | 106 | 154 Ų | 154 | 64% | 0.642 | 80% | 0.804 | S | S | * | * | | | trans | -77.2 | 119.9 | 170.8 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | A63 Y67 | A63-V65 PolarHBondContact O-N 3.05Å; V65-Y67 HydrophobicContact CB-CD2 4.43Å; V65-Y67 HydrophobicContact CG1-CD2 3.76Å; V65-Y67 HydrophobicContact CG1-CE2 3.85Å; V65-Y67 PolarHBondContact O-N 2.84Å |
| 66 | P | 50.5 | Low | 47.6 | Very low | 110 Ų | 110 | 156.1 Ų | 156.1 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | | | trans | -81.3 | 82.6 | 178.2 | 33.1 | -34 | 0 | 0 | 0 | 110.8 | T64 Q68 | T64-P66 WeakPolarHBondContact O-CD 3.44Å; P66-Q68 PolarHBondContact O-N 2.72Å |
| 67 | Y | 44.5 | Very low | 47.2 | Very low | 207 Ų | 207 | 150.9 Ų | 150.9 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | trans | -68.4 | 114.3 | 167.8 | -96.1 | -87.8 | 0 | 0 | 0 | 110.3 | V65 L69 | V65-Y67 HydrophobicContact CB-CD2 4.43Å; V65-Y67 HydrophobicContact CG1-CD2 3.76Å; V65-Y67 HydrophobicContact CG1-CE2 3.85Å; V65-Y67 PolarHBondContact O-N 2.84Å; Y67-L69 PolarHBondContact O-N 3.3Å |
| 68 | Q | 56.4 | Low | 46.5 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | -89.4 | 98.9 | 172.1 | -67.2 | 177 | 32 | 0 | 0 | 108.8 | P66 L70 | P66-Q68 PolarHBondContact O-N 2.72Å; Q68-L70 PolarHBondContact O-N 3.14Å; Q68-L70 VanDerWaalsContact O-N 3.08Å |
| 69 | L | 46 | Very low | 45.7 | Very low | 168 Ų | 168 | 152.4 Ų | 152.4 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | | | trans | -66.7 | 104.1 | 169.2 | -88 | 161.8 | 0 | 0 | 0 | 109.2 | Y67 R71 | Y67-L69 PolarHBondContact O-N 3.3Å; L69-R71 PolarHBondContact O-N 2.8Å; L69-R71 VanDerWaalsContact O-N 3.07Å |
| 70 | L | 46 | Very low | 45 | Very low | 160 Ų | 160 | 149.2 Ų | 149.2 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | trans | -65.1 | 105.9 | 170.1 | -126 | 70.8 | 0 | 0 | 0 | 108.5 | Q68 G72 | Q68-L70 PolarHBondContact O-N 3.14Å; Q68-L70 VanDerWaalsContact O-N 3.08Å; L70-G72 PolarHBondContact O-N 3.45Å |
| 71 | R | 46.7 | Very low | 44.5 | Very low | 238 Ų | 238 | 149.2 Ų | 149.2 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | | | trans | -64.1 | 123.1 | 168 | -69.8 | -168.3 | -174.4 | -167.3 | 4.3 | 108.2 | L69 S73 | L69-R71 PolarHBondContact O-N 2.8Å; L69-R71 VanDerWaalsContact O-N 3.07Å; R71-S73 PolarHBondContact O-N 3.46Å |
| 72 | G | 36.6 | Very low | 43.8 | Very low | 78 Ų | 78 | 146 Ų | 146 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -66.5 | 115.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | L70 | L70-G72 PolarHBondContact O-N 3.45Š|
| 73 | S | 37.5 | Very low | 43.1 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | trans | -86.8 | 106.4 | 168.9 | 56.6 | 0 | 0 | 0 | 0 | 109.9 | R71 H75 | R71-S73 PolarHBondContact O-N 3.46Å; S73-H75 PolarHBondContact O-N 2.93Å |
| 74 | Q | 47.7 | Very low | 42.4 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | | | trans | -70 | 103.5 | 176.8 | -75.1 | -78.3 | 16 | 0 | 0 | 111.6 | | |
| 75 | H | 38 | Very low | 41.3 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | | | trans | -142.9 | 128.2 | 159.8 | -74.2 | -59.4 | 0 | 0 | 0 | 111.3 | S73 | S73-H75 PolarHBondContact O-N 2.93Š|
| 76 | S | 36.4 | Very low | 40.5 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 161.9 | -172.1 | -49.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 77 | P | 42.9 | Very low | 39.6 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 84% | 0.844 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 135.8 | -172 | 32.8 | -34.8 | 0 | 0 | 0 | 113.8 | | |
| 78 | T | 36.8 | Very low | 39 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 87% | 0.871 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 121.4 | 178 | -47.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 79 | R | 36 | Very low | 38.1 | Very low | 226 Ų | 226 | 135 Ų | 135 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 140.8 | 170.1 | 169.4 | -176.2 | 144 | -168.6 | -7.1 | 109.9 | | |
| 80 | P | 41 | Very low | 37.4 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79 | 147.3 | 179.1 | 31.8 | -35.9 | 0 | 0 | 0 | 113.2 | | |
| 81 | P | 42.5 | Very low | 36.9 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 162.1 | 156.1 | 36.5 | -30.1 | 0 | 0 | 0 | 111.9 | | |
| 82 | A | 31.9 | Very low | 36.4 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | | | trans | -89.2 | 176.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 83 | A | 36 | Very low | 37 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | | | trans | -67.3 | 154.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 84 | A | 31.2 | Very low | 36.7 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | | | trans | -124.2 | 156.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 85 | A | 32.9 | Very low | 36.8 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | | | trans | -110.8 | 154.9 | -163.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 86 | A | 32.6 | Very low | 36.4 | Very low | 98 Ų | 98 | 119.8 Ų | 119.8 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | | | trans | -139.4 | 116.2 | 150.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 87 | A | 32 | Very low | 36.2 | Very low | 93 Ų | 93 | 119.5 Ų | 119.5 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | | | cis | 93.9 | 105.7 | 45.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 88 | S | 32.8 | Very low | 35.9 | Very low | 110 Ų | 110 | 118 Ų | 118 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | | | trans | -167.9 | 130.4 | 149.9 | -84 | 0 | 0 | 0 | 0 | 111.4 | | |
| 89 | L | 35.6 | Very low | 35.8 | Very low | 175 Ų | 175 | 123.4 Ų | 123.4 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | | | trans | 41.4 | 126.8 | 138.4 | -49.5 | 172 | 0 | 0 | 0 | 119.3 | | |
| 90 | G | 32.9 | Very low | 35.5 | Very low | 68 Ų | 68 | 115.8 Ų | 115.8 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | | | cis | 164.8 | 176.2 | -2.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 91 | S | 33.9 | Very low | 35.9 | Very low | 131 Ų | 131 | 117 Ų | 117 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | | | trans | 72.5 | 153.9 | 170 | -64.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 92 | L | 37 | Very low | 35.5 | Very low | 166 Ų | 166 | 116.3 Ų | 116.3 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | | | trans | -119 | -170.9 | -176 | -67.6 | 168 | 0 | 0 | 0 | 108.7 | | |
| 93 | P | 48.8 | Very low | 36.4 | Very low | 127 Ų | 127 | 117.1 Ų | 117.1 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | | -127.7 | -178.5 | -55.9 | 36.4 | -21.7 | 0 | 0 | 0 | 111.9 | | |
| 94 | G | 31.6 | Very low | 36.4 | Very low | 73 Ų | 73 | 117.8 Ų | 117.8 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | | | trans | 131.6 | 165.8 | 148.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 95 | P | 49.4 | Very low | 36.5 | Very low | 138 Ų | 138 | 117.6 Ų | 117.6 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | | | trans | -118.2 | 161.6 | -164.3 | 40.7 | -29.1 | 0 | 0 | 0 | 115.2 | | |
| 96 | G | 30 | Very low | 37.3 | Very low | 79 Ų | 79 | 118.3 Ų | 118.3 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | | | trans | 167.4 | 111.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 97 | A | 33.3 | Very low | 37.9 | Very low | 100 Ų | 100 | 119.5 Ų | 119.5 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | | | trans | 18 | 123.1 | 148.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 98 | A | 35.4 | Very low | 38.8 | Very low | 98 Ų | 98 | 120.2 Ų | 120.2 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | | | | 59.9 | 121.3 | 123.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 99 | R | 34.8 | Very low | 39.8 | Very low | 255 Ų | 255 | 120.4 Ų | 120.4 | 96% | 0.962 | 81% | 0.806 | S | S | * | * | | | | -164 | 147.3 | 129.5 | -115 | 173.6 | 174.2 | -163.3 | -3.7 | 113.1 | | |
| 100 | G | 30.5 | Very low | 40.5 | Very low | 67 Ų | 67 | 117.6 Ų | 117.6 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | | | trans | -89.2 | -173.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 101 | P | 48.6 | Very low | 40.4 | Very low | 133 Ų | 133 | 118.8 Ų | 118.8 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | | -145.1 | 176.1 | 68.6 | 40 | -22.9 | 0 | 0 | 0 | 117 | | |
| 102 | S | 34.4 | Very low | 40.3 | Very low | 111 Ų | 111 | 117.5 Ų | 117.5 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -90.9 | 168.5 | 169.1 | -43.5 | 0 | 0 | 0 | 0 | 112 | | |
| 103 | P | 51.2 | Low | 40.1 | Very low | 120 Ų | 120 | 114.1 Ų | 114.1 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | | | | -132.5 | -173.9 | 80.8 | 8.4 | 17 | 0 | 0 | 0 | 112.8 | | |
| 104 | S | 35.4 | Very low | 39.9 | Very low | 122 Ų | 122 | 113.7 Ų | 113.7 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | cis | -162.1 | -175.3 | -12.6 | -105.2 | 0 | 0 | 0 | 0 | 110 | | |
| 105 | S | 33.3 | Very low | 39.9 | Very low | 100 Ų | 100 | 114.7 Ų | 114.7 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | trans | -120.8 | 177.5 | 177 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 106 | P | 50.8 | Low | 38.9 | Very low | 120 Ų | 120 | 115.5 Ų | 115.5 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | | -145 | 132.4 | 94.1 | 31.8 | -12.7 | 0 | 0 | 0 | 116.3 | | |
| 107 | T | 44.2 | Very low | 39 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | | 96.7 | 168.5 | 77.6 | 5.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 108 | P | 51.1 | Low | 38.8 | Very low | 109 Ų | 109 | 119.2 Ų | 119.2 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | | | trans | -131.9 | -138.4 | -130.1 | 43.5 | -19.3 | 0 | 0 | 0 | 113.2 | | |
| 109 | P | 53.8 | Low | 39.5 | Very low | 114 Ų | 114 | 119.8 Ų | 119.8 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | | | cis | -130.9 | -136.6 | -17.4 | 31.2 | -4 | 0 | 0 | 0 | 113.7 | | |
| 110 | P | 49.6 | Very low | 39.4 | Very low | 115 Ų | 115 | 119 Ų | 119 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | | | | -130 | -177.9 | -85.6 | 39 | -21.4 | 0 | 0 | 0 | 117.2 | | |
| 111 | A | 31.1 | Very low | 39.5 | Very low | 94 Ų | 94 | 119.6 Ų | 119.6 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | | | | 121.6 | 139 | 126.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 112 | A | 31.9 | Very low | 38.8 | Very low | 103 Ų | 103 | 123.6 Ų | 123.6 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | | | trans | 70.6 | 128.3 | 144.7 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 113 | A | 33.2 | Very low | 38.7 | Very low | 95 Ų | 95 | 122.3 Ų | 122.3 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | -120.9 | 160.1 | 143.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 114 | P | 44.1 | Very low | 38.3 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | | -156.5 | -175.1 | 85.8 | 41.5 | -22.1 | 0 | 0 | 0 | 116 | | |
| 115 | A | 32.5 | Very low | 38.7 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | | | trans | 66.8 | 157.3 | 154.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 116 | E | 28.2 | Very low | 39 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | | | cis | -155.8 | -177.6 | -19.2 | -141.1 | -151.4 | 155.7 | 0 | 0 | 110.3 | | |
| 117 | Q | 30.6 | Very low | 38.2 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | | | trans | 71.8 | 139.1 | 153.7 | -75.2 | 167.2 | 46.4 | 0 | 0 | 122.7 | | |
| 118 | A | 31.1 | Very low | 37.8 | Very low | 90 Ų | 90 | 136.5 Ų | 136.5 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | | | trans | -139.9 | -174.9 | 153.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 119 | P | 48.9 | Very low | 37.7 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | | | cis | -133.2 | -157 | -7.2 | 31.1 | -6.4 | 0 | 0 | 0 | 112.4 | | |
| 120 | R | 33.7 | Very low | 36.6 | Very low | 239 Ų | 239 | 139.1 Ų | 139.1 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | trans | 80 | 154.3 | 163.4 | -62.2 | -178.5 | 176.6 | -141.7 | 0.5 | 117.7 | | |
| 121 | A | 31.5 | Very low | 35.7 | Very low | 80 Ų | 80 | 138.5 Ų | 138.5 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | | | cis | -167.7 | 150 | -24.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 122 | K | 34.1 | Very low | 35.8 | Very low | 216 Ų | 216 | 140.5 Ų | 140.5 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | | | trans | 49.9 | 119 | 147.2 | -66.2 | 179.2 | -179.2 | -179.6 | 0 | 121.1 | | |
| 123 | G | 31.6 | Very low | 35.8 | Very low | 85 Ų | 85 | 143.7 Ų | 143.7 | 88% | 0.876 | 77% | 0.771 | S | S | * | * | | | trans | -137.1 | 152.3 | 152.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 124 | R | 43.1 | Very low | 35.7 | Very low | 212 Ų | 212 | 148.1 Ų | 148.1 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | trans | -120.4 | 172.1 | -177.8 | -129.2 | -159.6 | 172.8 | -153 | 6.1 | 109.2 | | |
| 125 | P | 44.1 | Very low | 35.3 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | cis | -141.2 | -178.8 | 46.9 | 37.8 | -16 | 0 | 0 | 0 | 117.1 | | |
| 126 | R | 39 | Very low | 35.2 | Very low | 197 Ų | 197 | 148.6 Ų | 148.6 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | trans | -102.4 | 143.9 | 171.8 | -126.5 | -167 | -176.3 | -168.1 | 1.1 | 109.4 | | |
| 127 | R | 35.1 | Very low | 35.6 | Very low | 249 Ų | 249 | 146 Ų | 146 | 94% | 0.94 | 77% | 0.767 | S | S | * | * | | | trans | -148.4 | 152.6 | 141.6 | -82.1 | -155.3 | 175.8 | -157.4 | -0.4 | 110.2 | | |
| 128 | S | 34.5 | Very low | 36.3 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | trans | -111.6 | 174.1 | 167.2 | -54 | 0 | 0 | 0 | 0 | 108.6 | | |
| 129 | P | 49 | Very low | 36.5 | Very low | 134 Ų | 134 | 146.8 Ų | 146.8 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | | | | -139.6 | 177.1 | 90.6 | 37.4 | -22.7 | 0 | 0 | 0 | 115.8 | | |
| 130 | E | 31.5 | Very low | 35.9 | Very low | 144 Ų | 144 | 152.2 Ų | 152.2 | 67% | 0.673 | 77% | 0.771 | S | S | * | * | | | trans | -88 | 143.8 | -175.6 | 163.6 | 73.8 | -143.1 | 0 | 0 | 112.7 | H132 | E130-H132 PolarHBondContact OE1-N 3.07Å; E130-H132 IonicContact OE1-ND1 2.8Å; E130-H132 PolarHBondContact OE1-ND1 3.17Å |
| 131 | S | 31.4 | Very low | 35.9 | Very low | 103 Ų | 103 | 151.6 Ų | 151.6 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | trans | -167 | 92.2 | 148.4 | 48.1 | 0 | 0 | 0 | 0 | 115 | | |
| 132 | H | 32.5 | Very low | 36 | Very low | 135 Ų | 135 | 153.3 Ų | 153.3 | 63% | 0.625 | 78% | 0.776 | S | S | * | * | | | | 60.9 | 151.3 | 125.9 | -59.3 | 0.8 | 0 | 0 | 0 | 122.1 | E130 | E130-H132 PolarHBondContact OE1-N 3.07Å; E130-H132 IonicContact OE1-ND1 2.8Å; E130-H132 PolarHBondContact OE1-ND1 3.17Å |
| 133 | R | 33 | Very low | 36.4 | Very low | 171 Ų | 171 | 149 Ų | 149 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | | | cis | -167.5 | 145.5 | -24.8 | -107.5 | -170.6 | -165.1 | -95 | 8.2 | 107.4 | | |
| 134 | R | 31.2 | Very low | 36.4 | Very low | 188 Ų | 188 | 148.6 Ų | 148.6 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | | | trans | 49.1 | 113.3 | 156.1 | -70.9 | -172.4 | -87.9 | -116.8 | 6.2 | 119 | | |
| 135 | S | 34.6 | Very low | 36.1 | Very low | 130 Ų | 130 | 143 Ų | 143 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | | | | -96.1 | 142.6 | 124.8 | 52.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 136 | S | 31.6 | Very low | 36 | Very low | 93 Ų | 93 | 143.2 Ų | 143.2 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | | | trans | -136.4 | 141.7 | -174.2 | 51.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 137 | S | 35.7 | Very low | 35.7 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | trans | -64.6 | 152.1 | 166.9 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 138 | P | 45.9 | Very low | 36 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | | | trans | -135.4 | 132.5 | 134.6 | 35 | -23.2 | 0 | 0 | 0 | 113.1 | | |
| 139 | E | 35.1 | Very low | 36 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | trans | -68.3 | 156.4 | 165.7 | -51.6 | 96.4 | 95.7 | 0 | 0 | 112.8 | | |
| 140 | R | 36.6 | Very low | 35.8 | Very low | 223 Ų | 223 | 137.2 Ų | 137.2 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | | | trans | -171.7 | 126.9 | 131.6 | -106 | 162.8 | -161.9 | -73.1 | -3.5 | 114.2 | | |
| 141 | R | 32.4 | Very low | 35.8 | Very low | 226 Ų | 226 | 137.1 Ų | 137.1 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | trans | 64.5 | 143.3 | 164.4 | -65.4 | 178.6 | 168.5 | 174.8 | -5.1 | 114.9 | | |
| 142 | S | 33.5 | Very low | 36.6 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | | | cis | -138.7 | 155.9 | 32.5 | -65.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 143 | P | 43.9 | Very low | 36.6 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | | | trans | -96.2 | 169.9 | 170.6 | 39.5 | -34.3 | 0 | 0 | 0 | 112.2 | | |
| 144 | G | 30.9 | Very low | 36.7 | Very low | 77 Ų | 77 | 142 Ų | 142 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | 124.8 | 134.9 | 152.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 145 | S | 36.2 | Very low | 37 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | | | trans | -67.6 | 159.4 | 171 | 46.2 | 0 | 0 | 0 | 0 | 113 | V147 | S145-V147 VanDerWaalsContact C-N 3.29Å; S145-V147 PolarHBondContact O-N 3.27Å |
| 146 | P | 43.3 | Very low | 36.9 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | trans | -68.1 | 91.3 | 158 | 30.6 | -32.8 | 0 | 0 | 0 | 109 | C148 | P146-C148 PolarHBondContact O-N 3.32Š|
| 147 | V | 32 | Very low | 37.1 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 60% | 0.6 | 79% | 0.787 | S | S | * | * | | | trans | -57.5 | 133.5 | 164 | 168.8 | 0 | 0 | 0 | 0 | 108.5 | S145 R149 | S145-V147 VanDerWaalsContact C-N 3.29Å; S145-V147 PolarHBondContact O-N 3.27Å; V147-R149 VanDerWaalsContact C-N 3.27Å; V147-R149 PolarHBondContact O-N 2.83Å |
| 148 | C | 40.7 | Very low | 37.1 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | | | trans | -62.9 | 86.6 | 171.8 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | P146 A150 | P146-C148 PolarHBondContact O-N 3.32Å; C148-A150 PolarHBondContact O-N 2.93Å |
| 149 | R | 34.6 | Very low | 37 | Very low | 218 Ų | 218 | 147.5 Ų | 147.5 | 82% | 0.823 | 78% | 0.784 | S | S | * | * | | | trans | -74.1 | 112.7 | 164.6 | -73.6 | -67.4 | -179.4 | -172.3 | -1.1 | 107.7 | V147 D151 | V147-R149 VanDerWaalsContact C-N 3.27Å; V147-R149 PolarHBondContact O-N 2.83Å; R149-D151 PolarHBondContact O-N 2.77Å |
| 150 | A | 45.5 | Very low | 37.2 | Very low | 109 Ų | 109 | 145 Ų | 145 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | | | trans | -69.3 | 69.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | C148 | C148-A150 PolarHBondContact O-N 2.93Š|
| 151 | D | 31.6 | Very low | 37.5 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | trans | -76.3 | 142.7 | 166.2 | -150.5 | -38.7 | 0 | 0 | 0 | 108.8 | R149 A153 | R149-D151 PolarHBondContact O-N 2.77Å; D151-A153 VanDerWaalsContact C-N 3.25Å; D151-A153 PolarHBondContact O-N 2.97Å |
| 152 | R | 49 | Very low | 38.4 | Very low | 229 Ų | 229 | 131.9 Ų | 131.9 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | | | trans | -82.3 | 76.5 | -168.3 | -168.6 | 179 | -173.5 | 172.1 | 2.3 | 109.1 | K154 | R152-K154 VanDerWaalsContact C-N 3.33Å; R152-K154 PolarHBondContact O-N 2.89Å |
| 153 | A | 30.8 | Very low | 39.5 | Very low | 93 Ų | 93 | 130 Ų | 130 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | | | trans | -51.7 | 97.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | D151 S155 | D151-A153 VanDerWaalsContact C-N 3.25Å; D151-A153 PolarHBondContact O-N 2.97Å; A153-S155 PolarHBondContact O-N 3.3Å |
| 154 | K | 35.1 | Very low | 40.2 | Very low | 190 Ų | 190 | 127.4 Ų | 127.4 | 83% | 0.826 | 72% | 0.72 | S | S | * | * | | | trans | -50.2 | 131.2 | 166 | -71.1 | 175.2 | 177.7 | 174.9 | 0 | 105.9 | R152 Q156 | R152-K154 VanDerWaalsContact C-N 3.33Å; R152-K154 PolarHBondContact O-N 2.89Å; K154-Q156 PolarHBondContact O-N 3.13Å |
| 155 | S | 38.1 | Very low | 41.5 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | | | trans | -68.3 | 75.3 | 175.4 | 44.7 | 0 | 0 | 0 | 0 | 109.2 | A153 Q157 | A153-S155 PolarHBondContact O-N 3.3Å; S155-Q157 PolarHBondContact O-N 3.25Å |
| 156 | Q | 32.2 | Very low | 42.4 | Very low | 171 Ų | 171 | 140.9 Ų | 140.9 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | | | trans | -67.5 | 80 | 167.3 | -176.5 | 166.6 | -34.2 | 0 | 0 | 106.1 | K154 V158 | K154-Q156 PolarHBondContact O-N 3.13Å; Q156-V158 VanDerWaalsContact C-N 3.26Å; Q156-V158 PolarHBondContact O-N 3.38Å |
| 157 | Q | 36.6 | Very low | 42.9 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | | | trans | -56.2 | 95.6 | 173.2 | -179.9 | -176.5 | 9.2 | 0 | 0 | 106.1 | S155 R159 | S155-Q157 PolarHBondContact O-N 3.25Å; Q157-R159 PolarHBondContact O-N 3.08Å |
| 158 | V | 35.3 | Very low | 44.2 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 66% | 0.661 | 72% | 0.723 | S | S | * | * | | | trans | -64.1 | 93.2 | 173.9 | -177.6 | 0 | 0 | 0 | 0 | 105.2 | Q156 T160 | Q156-V158 VanDerWaalsContact C-N 3.26Å; Q156-V158 PolarHBondContact O-N 3.38Å; V158-T160 HydrophobicContact CG1-CG2 3.95Å; V158-T160 PolarHBondContact O-N 3.16Å |
| 159 | R | 43.5 | Very low | 45.5 | Very low | 191 Ų | 191 | 136.3 Ų | 136.3 | 72% | 0.721 | 70% | 0.704 | S | S | * | * | | | trans | -74.3 | 83 | -176.7 | -166.2 | 176 | -172.5 | 99.4 | -3.1 | 106.3 | Q157 S161 | Q157-R159 PolarHBondContact O-N 3.08Å; R159-S161 PolarHBondContact O-N 2.85Å |
| 160 | T | 38.6 | Very low | 47.1 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 66% | 0.656 | 70% | 0.697 | S | S | * | * | | | trans | -68.1 | 74.2 | -178.9 | 45.1 | 0 | 0 | 0 | 0 | 109.8 | V158 S162 | V158-T160 HydrophobicContact CG1-CG2 3.95Å; V158-T160 PolarHBondContact O-N 3.16Å; T160-S162 PolarHBondContact O-N 3.36Å; T160-S162 PolarHBondContact O-OG 3.06Å |
| 161 | S | 44.6 | Very low | 48.3 | Very low | 91 Ų | 91 | 132.7 Ų | 132.7 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | | | trans | -65.9 | 65.2 | 165.6 | -61.3 | 0 | 0 | 0 | 0 | 109.3 | R159 T163 | R159-S161 PolarHBondContact O-N 2.85Å; S161-T163 PolarHBondContact O-N 2.8Å |
| 162 | S | 49.9 | Very low | 50.1 | Low | 82 Ų | 82 | 128.9 Ų | 128.9 | 57% | 0.573 | 67% | 0.666 | S | S | * | * | | | trans | -75.7 | 90.8 | 179.9 | 46.2 | 0 | 0 | 0 | 0 | 108.1 | T160 I164 | T160-S162 PolarHBondContact O-N 3.36Å; T160-S162 PolarHBondContact O-OG 3.06Å; S162-I164 VanDerWaalsContact C-N 3.34Å; S162-I164 PolarHBondContact O-N 2.93Å |
| 163 | T | 57.4 | Low | 51.1 | Low | 78 Ų | 78 | 119.8 Ų | 119.8 | 48% | 0.479 | 64% | 0.635 | S | S | . | * | | | trans | -61.5 | 97.8 | 168.8 | -46 | 0 | 0 | 0 | 0 | 108.2 | S161 R165 P186 | S161-T163 PolarHBondContact O-N 2.8Å; T163-R165 VanDerWaalsContact C-N 3.33Å; T163-R165 PolarHBondContact O-N 2.83Å; T163-P186 HydrophobicContact CG2-CG 4.27Å |
| 164 | I | 59.2 | Low | 53.1 | Low | 70 Ų | 70 | 118.3 Ų | 118.3 | 36% | 0.359 | 62% | 0.616 | S | S | . | * | | | trans | -65 | 92.5 | -176.4 | -66.7 | 157.3 | 0 | 0 | 0 | 109.2 | S162 I173 P183 | S162-I164 VanDerWaalsContact C-N 3.34Å; S162-I164 PolarHBondContact O-N 2.93Å; I164-I173 HydrophobicContact CD1-CG2 3.75Å; I164-P183 HydrophobicContact CD1-CB 3.98Å; I164-P183 HydrophobicContact CD1-CG 3.75Å |
| 165 | R | 56.9 | Low | 54.9 | Low | 200 Ų | 200 | 111.2 Ų | 111.2 | 76% | 0.755 | 60% | 0.597 | S | S | * | * | | | trans | -77.1 | 151.3 | 162.2 | -65.2 | -171.8 | 175 | -153.6 | -2.5 | 107.9 | T163 T167 S168 | T163-R165 VanDerWaalsContact C-N 3.33Å; T163-R165 PolarHBondContact O-N 2.83Å; R165-T167 PolarHBondContact O-N 2.98Å; R165-S168 PolarHBondContact O-N 3.01Å |
| 166 | R | 55.9 | Low | 56.6 | Low | 253 Ų | 253 | 107.9 Ų | 107.9 | 96% | 0.955 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 28.9 | -151.7 | -53.2 | 171 | 85.1 | 131.3 | -0.4 | 116 | | |
| 167 | T | 53.8 | Low | 58.2 | Low | 138 Ų | 138 | 104.3 Ų | 104.3 | 85% | 0.847 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.2 | 4.1 | -172.9 | 59.9 | 0 | 0 | 0 | 0 | 114.6 | R165 | R165-T167 PolarHBondContact O-N 2.98Š|
| 168 | S | 59.3 | Low | 60.1 | Low | 57 Ų | 57 | 104.3 Ų | 104.3 | 40% | 0.399 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -72.3 | 153 | 170.7 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | R165 T172 | R165-S168 PolarHBondContact O-N 3.01Å; S168-T172 PolarHBondContact OG-OG1 3.37Å |
| 169 | S | 67.1 | Low | 61.9 | Low | 66 Ų | 66 | 104 Ų | 104 | 46% | 0.462 | 56% | 0.555 | S | S | . | * | | | trans | -68.1 | 156.1 | -177.3 | 70.7 | 0 | 0 | 0 | 0 | 112.1 | D171 T172 | S169-D171 WeakPolarHBondContact CB-OD2 3.37Å; S169-D171 PolarHBondContact O-N 2.63Å; S169-D171 VanDerWaalsContact O-N 3.12Å; S169-D171 PolarHBondContact OG-OD2 3.27Å; S169-T172 WeakPolarHBondContact O-CB 3.34Å; S169-T172 PolarHBondContact O-N 3.22Å; S169-T172 PolarHBondContact O-OG1 3.03Å |
| 170 | L | 69.3 | Low | 63.3 | Low | 129 Ų | 129 | 97.3 Ų | 97.3 | 68% | 0.675 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25.8 | -175.3 | -143 | 152.8 | 0 | 0 | 0 | 112 | T172 I173 T174 | L170-T172 PolarHBondContact O-N 3.31Å; L170-I173 HydrophobicContact CD2-CD1 4.18Å; L170-I173 HydrophobicContact CD2-CG1 4.23Å; L170-I173 HydrophobicContact CG-CD1 4.38Å; L170-I173 WeakPolarHBondContact O-CG1 3.42Å; L170-I173 PolarHBondContact O-N 2.77Å; L170-I173 VanDerWaalsContact O-N 3.14Å; L170-T174 PolarHBondContact O-N 3.4Å; L170-T174 PolarHBondContact O-OG1 2.97Å |
| 171 | D | 70.5 | Confident | 64.5 | Low | 122 Ų | 122 | 98.6 Ų | 98.6 | 65% | 0.652 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.7 | -30.6 | 174.6 | -33.2 | -76.3 | 0 | 0 | 0 | 112.8 | S169 I173 T174 | S169-D171 WeakPolarHBondContact CB-OD2 3.37Å; S169-D171 PolarHBondContact O-N 2.63Å; S169-D171 VanDerWaalsContact O-N 3.12Å; S169-D171 PolarHBondContact OG-OD2 3.27Å; D171-I173 PolarHBondContact O-N 3.28Å; D171-T174 PolarHBondContact O-N 2.82Å |
| 172 | T | 69.2 | Low | 65.6 | Low | 61 Ų | 61 | 100.8 Ų | 100.8 | 37% | 0.374 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.8 | -18.4 | 179.8 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | S168 S169 L170 | S168-T172 PolarHBondContact OG-OG1 3.37Å; S169-T172 WeakPolarHBondContact O-CB 3.34Å; S169-T172 PolarHBondContact O-N 3.22Å; S169-T172 PolarHBondContact O-OG1 3.03Å; L170-T172 PolarHBondContact O-N 3.31Å |
| 173 | I | 69.4 | Low | 66.2 | Low | 39 Ų | 39 | 99.9 Ų | 99.9 | 20% | 0.2 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -100.6 | -28.3 | 174.4 | 58.1 | 167.3 | 0 | 0 | 0 | 113.3 | I164 L170 D171 G175 P176 Y177 | I164-I173 HydrophobicContact CD1-CG2 3.75Å; L170-I173 HydrophobicContact CD2-CD1 4.18Å; L170-I173 HydrophobicContact CD2-CG1 4.23Å; L170-I173 HydrophobicContact CG-CD1 4.38Å; L170-I173 WeakPolarHBondContact O-CG1 3.42Å; L170-I173 PolarHBondContact O-N 2.77Å; L170-I173 VanDerWaalsContact O-N 3.14Å; D171-I173 PolarHBondContact O-N 3.28Å; I173-G175 PolarHBondContact O-N 3.21Å; I173-P176 WeakPolarHBondContact O-CD 3.29Å; I173-Y177 HydrophobicContact CB-CD2 4.07Å; I173-Y177 HydrophobicContact CB-CE2 3.7Å; I173-Y177 HydrophobicContact CD1-CE1 4.26Å; I173-Y177 HydrophobicContact CG2-CE2 4.18Å; I173-Y177 WeakPolarHBondContact O-CB 3.31Å; I173-Y177 WeakPolarHBondContact O-CD2 3.12Å; I173-Y177 PolarHBondContact O-N 3.23Å |
| 174 | T | 72.4 | Confident | 66.5 | Low | 62 Ų | 62 | 105.7 Ų | 105.7 | 38% | 0.38 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.4 | -45.2 | -174.3 | -57.1 | 0 | 0 | 0 | 0 | 113.4 | L170 D171 Y177 L178 | L170-T174 PolarHBondContact O-N 3.4Å; L170-T174 PolarHBondContact O-OG1 2.97Å; D171-T174 PolarHBondContact O-N 2.82Å; T174-Y177 PolarHBondContact O-N 2.93Å; T174-L178 HydrophobicContact CG2-CD1 3.93Å; T174-L178 HydrophobicContact CG2-CG 4.44Å; T174-L178 WeakPolarHBondContact O-CG 3.38Å; T174-L178 PolarHBondContact O-N 3.03Å |
| 175 | G | 74.4 | Confident | 66.6 | Low | 41 Ų | 41 | 108.1 Ų | 108.1 | 42% | 0.423 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.1 | -55.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I173 Y177 L178 T179 | I173-G175 PolarHBondContact O-N 3.21Å; G175-Y177 VanDerWaalsContact C-N 3.3Å; G175-Y177 PolarHBondContact O-N 3.21Å; G175-L178 PolarHBondContact O-N 3.26Å; G175-T179 PolarHBondContact O-N 3.06Å; G175-T179 PolarHBondContact O-OG1 3.06Å |
| 176 | P | 73.4 | Confident | 66.7 | Low | 49 Ų | 49 | 101.5 Ų | 101.5 | 32% | 0.318 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57.7 | -39 | 174.9 | -26.2 | 34.1 | 0 | 0 | 0 | 113.4 | I173 T179 G180 Q181 | I173-P176 WeakPolarHBondContact O-CD 3.29Å; P176-T179 PolarHBondContact O-N 3.4Å; P176-T179 PolarHBondContact O-OG1 3.36Å; P176-G180 PolarHBondContact O-N 3.15Å; P176-Q181 CarbonylContact C-O 3.51Å; P176-Q181 WeakPolarHBondContact CB-O 3.26Å; P176-Q181 CarbonylContact O-C 3.57Å; P176-Q181 PolarHBondContact O-N 3.1Å |
| 177 | Y | 65.1 | Low | 66.4 | Low | 96 Ų | 96 | 97.4 Ų | 97.4 | 38% | 0.376 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | -179.8 | -79.8 | -145.5 | 0 | 0 | 0 | 112.2 | I173 T174 G175 T179 G180 W182 P183 | I173-Y177 HydrophobicContact CB-CD2 4.07Å; I173-Y177 HydrophobicContact CB-CE2 3.7Å; I173-Y177 HydrophobicContact CD1-CE1 4.26Å; I173-Y177 HydrophobicContact CG2-CE2 4.18Å; I173-Y177 WeakPolarHBondContact O-CB 3.31Å; I173-Y177 WeakPolarHBondContact O-CD2 3.12Å; I173-Y177 PolarHBondContact O-N 3.23Å; T174-Y177 PolarHBondContact O-N 2.93Å; G175-Y177 VanDerWaalsContact C-N 3.3Å; G175-Y177 PolarHBondContact O-N 3.21Å; Y177-T179 PolarHBondContact O-N 2.99Å; Y177-G180 PolarHBondContact O-N 3.27Å; Y177-W182 AromaticContact CD1-CH2 3.89Å; Y177-W182 HydrophobicContact CD1-CH2 3.89Å; Y177-W182 HydrophobicContact CD1-CZ2 4.45Å; Y177-W182 AromaticContact CD1-CZ3 3.97Å; Y177-W182 HydrophobicContact CD1-CZ3 3.97Å; Y177-W182 HydrophobicContact CD2-CE3 4.38Å; Y177-W182 HydrophobicContact CE1-CE3 4.08Å; Y177-W182 AromaticContact CE1-CH2 3.59Å; Y177-W182 HydrophobicContact CE1-CH2 3.59Å; Y177-W182 AromaticContact CE1-CZ3 3.32Å; Y177-W182 HydrophobicContact CE1-CZ3 3.32Å; Y177-W182 AromaticContact CE2-CE3 3.85Å; Y177-W182 HydrophobicContact CE2-CE3 3.85Å; Y177-W182 AromaticContact CE2-CZ3 3.95Å; Y177-W182 HydrophobicContact CE2-CZ3 3.95Å; Y177-W182 AromaticContact CZ-CE3 3.69Å; Y177-W182 AromaticContact CZ-CZ3 3.32Å; Y177-P183 HydrophobicContact CE2-CG 4.22Å |
| 178 | L | 76.3 | Confident | 66 | Low | 149 Ų | 149 | 95.5 Ų | 95.5 | 78% | 0.78 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.4 | -19.8 | 177.9 | -70.1 | 173.6 | 0 | 0 | 0 | 113.5 | T174 G175 | T174-L178 HydrophobicContact CG2-CD1 3.93Å; T174-L178 HydrophobicContact CG2-CG 4.44Å; T174-L178 WeakPolarHBondContact O-CG 3.38Å; T174-L178 PolarHBondContact O-N 3.03Å; G175-L178 PolarHBondContact O-N 3.26Å |
| 179 | T | 73.8 | Confident | 65.6 | Low | 103 Ų | 103 | 102.2 Ų | 102.2 | 63% | 0.632 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 7.8 | 173.6 | 55.5 | 0 | 0 | 0 | 0 | 113.3 | G175 P176 Y177 Q181 | G175-T179 PolarHBondContact O-N 3.06Å; G175-T179 PolarHBondContact O-OG1 3.06Å; P176-T179 PolarHBondContact O-N 3.4Å; P176-T179 PolarHBondContact O-OG1 3.36Å; Y177-T179 PolarHBondContact O-N 2.99Å; T179-Q181 PolarHBondContact O-N 3.41Å |
| 180 | G | 72.3 | Confident | 64.7 | Low | 51 Ų | 51 | 108.6 Ų | 108.6 | 53% | 0.526 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 72 | 0.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | P176 Y177 W182 | P176-G180 PolarHBondContact O-N 3.15Å; Y177-G180 PolarHBondContact O-N 3.27Å; G180-W182 PolarHBondContact O-N 3.34Å |
| 181 | Q | 64.7 | Low | 63.9 | Low | 133 Ų | 133 | 107.3 Ų | 107.3 | 62% | 0.621 | 56% | 0.559 | S | S | * | * | | | trans | -93.1 | 85.6 | -176.2 | -66.9 | -66.8 | -0.9 | 0 | 0 | 110.7 | P176 T179 | P176-Q181 CarbonylContact C-O 3.51Å; P176-Q181 WeakPolarHBondContact CB-O 3.26Å; P176-Q181 CarbonylContact O-C 3.57Å; P176-Q181 PolarHBondContact O-N 3.1Å; T179-Q181 PolarHBondContact O-N 3.41Å |
| 182 | W | 66.3 | Low | 62.8 | Low | 138 Ų | 138 | 107.2 Ų | 107.2 | 52% | 0.523 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 135.4 | 174.2 | -68.4 | 82 | 0 | 0 | 0 | 111.3 | Y177 G180 R184 | Y177-W182 AromaticContact CD1-CH2 3.89Å; Y177-W182 HydrophobicContact CD1-CH2 3.89Å; Y177-W182 HydrophobicContact CD1-CZ2 4.45Å; Y177-W182 AromaticContact CD1-CZ3 3.97Å; Y177-W182 HydrophobicContact CD1-CZ3 3.97Å; Y177-W182 HydrophobicContact CD2-CE3 4.38Å; Y177-W182 HydrophobicContact CE1-CE3 4.08Å; Y177-W182 AromaticContact CE1-CH2 3.59Å; Y177-W182 HydrophobicContact CE1-CH2 3.59Å; Y177-W182 AromaticContact CE1-CZ3 3.32Å; Y177-W182 HydrophobicContact CE1-CZ3 3.32Å; Y177-W182 AromaticContact CE2-CE3 3.85Å; Y177-W182 HydrophobicContact CE2-CE3 3.85Å; Y177-W182 AromaticContact CE2-CZ3 3.95Å; Y177-W182 HydrophobicContact CE2-CZ3 3.95Å; Y177-W182 AromaticContact CZ-CE3 3.69Å; Y177-W182 AromaticContact CZ-CZ3 3.32Å; G180-W182 PolarHBondContact O-N 3.34Å; W182-R184 WeakPolarHBondContact O-CG 3.28Å; W182-R184 PolarHBondContact O-N 3.43Å; W182-R184 VanDerWaalsContact O-N 3.08Å |
| 183 | P | 63.8 | Low | 62 | Low | 63 Ų | 63 | 109.6 Ų | 109.6 | 41% | 0.409 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -51.9 | 117.2 | 174.5 | -27.5 | 35.1 | 0 | 0 | 0 | 111.3 | I164 Y177 | I164-P183 HydrophobicContact CD1-CB 3.98Å; I164-P183 HydrophobicContact CD1-CG 3.75Å; Y177-P183 HydrophobicContact CE2-CG 4.22Å |
| 184 | R | 63 | Low | 61.1 | Low | 200 Ų | 200 | 116.6 Ų | 116.6 | 76% | 0.755 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 145 | 177.1 | -60.2 | -52.7 | -172.8 | 177.6 | 0.6 | 110.2 | W182 | W182-R184 WeakPolarHBondContact O-CG 3.28Å; W182-R184 PolarHBondContact O-N 3.43Å; W182-R184 VanDerWaalsContact O-N 3.08Å |
| 185 | D | 61.3 | Low | 59.9 | Low | 120 Ų | 120 | 122.4 Ų | 122.4 | 64% | 0.642 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 122.7 | -174.8 | -156.9 | -8.7 | 0 | 0 | 0 | 110.4 | H187 | D185-H187 PolarHBondContact O-N 3.14Š|
| 186 | P | 59 | Low | 58.9 | Low | 62 Ų | 62 | 126.7 Ų | 126.7 | 40% | 0.403 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.3 | -7 | -166.3 | -27.7 | 37.1 | 0 | 0 | 0 | 117.2 | T163 | T163-P186 HydrophobicContact CG2-CG 4.27Š|
| 187 | H | 50.4 | Low | 57.7 | Low | 167 Ų | 167 | 132.3 Ų | 132.3 | 77% | 0.773 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | 12.1 | -171 | -64.8 | -58.2 | 0 | 0 | 0 | 115 | D185 | D185-H187 PolarHBondContact O-N 3.14Š|
| 188 | V | 44.8 | Very low | 57 | Low | 97 Ų | 97 | 131.8 Ų | 131.8 | 59% | 0.588 | 69% | 0.688 | S | S | * | * | | | trans | -121.4 | 98.9 | 174.2 | -173.1 | 0 | 0 | 0 | 0 | 111 | Y190 | V188-Y190 VanDerWaalsContact C-N 3.3Å; V188-Y190 HydrophobicContact CG1-CD2 4.32Å; V188-Y190 PolarHBondContact O-N 3.3Å |
| 189 | H | 51.8 | Low | 55.8 | Low | 198 Ų | 198 | 130.7 Ų | 130.7 | 92% | 0.917 | 69% | 0.688 | S | S | * | * | | | trans | -69.5 | 87.2 | 164.7 | -90.6 | -90 | 0 | 0 | 0 | 109.7 | | |
| 190 | Y | 48.3 | Very low | 54.4 | Low | 201 Ų | 201 | 134.7 Ų | 134.7 | 79% | 0.788 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -88 | 126 | 170 | -146.1 | -91.7 | 0 | 0 | 0 | 109.5 | V188 | V188-Y190 VanDerWaalsContact C-N 3.3Å; V188-Y190 HydrophobicContact CG1-CD2 4.32Å; V188-Y190 PolarHBondContact O-N 3.3Å |
| 191 | P | 51.8 | Low | 53.1 | Low | 102 Ų | 102 | 137.5 Ų | 137.5 | 66% | 0.662 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 159.8 | 175.3 | 29 | -34.4 | 0 | 0 | 0 | 111.2 | | |
| 192 | S | 48.3 | Very low | 52.3 | Low | 120 Ų | 120 | 136.3 Ų | 136.3 | 84% | 0.839 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 141.8 | -171.6 | -164.2 | 0 | 0 | 0 | 0 | 113.4 | M194 | S192-M194 PolarHBondContact O-N 3.21Š|
| 193 | C | 50.8 | Low | 51.2 | Low | 111 Ų | 111 | 135.4 Ų | 135.4 | 75% | 0.75 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 124 | -176.5 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 194 | M | 51.6 | Low | 50.1 | Low | 186 Ų | 186 | 137.6 Ų | 137.6 | 92% | 0.916 | 74% | 0.74 | S | S | * | * | | | trans | -172.5 | 64.7 | 150.9 | -89.6 | -123.5 | 76.6 | 0 | 0 | 111.2 | S192 | S192-M194 PolarHBondContact O-N 3.21Š|
| 195 | K | 47.1 | Very low | 49.4 | Very low | 184 Ų | 184 | 140.6 Ų | 140.6 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | | | trans | -155.8 | 89.1 | 160.9 | -158.2 | 149 | -173.2 | 169.8 | 0 | 112.6 | K197 | K195-K197 HydrophobicContact CG-CG 4.4Å; K195-K197 PolarHBondContact O-N 2.65Å |
| 196 | D | 53.9 | Low | 48.3 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | trans | -68 | 128.1 | 168.6 | -170.9 | -3.1 | 0 | 0 | 0 | 110.5 | A198 | D196-A198 VanDerWaalsContact OD1-CB 3.23Å; D196-A198 WeakPolarHBondContact OD1-CB 3.36Å; D196-A198 PolarHBondContact OD1-N 3.12Å |
| 197 | K | 47.7 | Very low | 47.6 | Very low | 167 Ų | 167 | 145.7 Ų | 145.7 | 73% | 0.726 | 78% | 0.784 | S | S | * | * | | | trans | -138.3 | 36.5 | 170.9 | -75.3 | -66.5 | 140.7 | -162.5 | 0 | 111.7 | K195 T199 | K195-K197 HydrophobicContact CG-CG 4.4Å; K195-K197 PolarHBondContact O-N 2.65Å; K197-T199 PolarHBondContact O-N 2.98Å |
| 198 | A | 50.4 | Low | 47.3 | Very low | 84 Ų | 84 | 147.1 Ų | 147.1 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | | | trans | -75.7 | 47.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D196 | D196-A198 VanDerWaalsContact OD1-CB 3.23Å; D196-A198 WeakPolarHBondContact OD1-CB 3.36Å; D196-A198 PolarHBondContact OD1-N 3.12Å |
| 199 | T | 50.3 | Low | 47.1 | Very low | 126 Ų | 126 | 146 Ų | 146 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -141.6 | 54.3 | 162.7 | 54 | 0 | 0 | 0 | 0 | 111.2 | K197 T201 | K197-T199 PolarHBondContact O-N 2.98Å; T199-T201 VanDerWaalsContact C-N 3.31Å; T199-T201 PolarHBondContact O-N 3.3Å; T199-T201 VanDerWaalsContact O-N 3.15Å |
| 200 | Q | 44.6 | Very low | 46.7 | Very low | 187 Ų | 187 | 141.4 Ų | 141.4 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -82 | 79.5 | 166.8 | -170.6 | 176.4 | 4.6 | 0 | 0 | 109.8 | | |
| 201 | T | 46.2 | Very low | 46.3 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 68% | 0.681 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 129.6 | 164 | -48.1 | 0 | 0 | 0 | 0 | 108.1 | T199 S203 | T199-T201 VanDerWaalsContact C-N 3.31Å; T199-T201 PolarHBondContact O-N 3.3Å; T199-T201 VanDerWaalsContact O-N 3.15Å; T201-S203 PolarHBondContact O-N 2.97Å |
| 202 | P | 46.7 | Very low | 46.4 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 70% | 0.695 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 131.6 | 171.1 | 26.6 | -33.1 | 0 | 0 | 0 | 108.5 | C204 | P202-C204 PolarHBondContact O-N 3.24Å; P202-C204 VanDerWaalsContact O-N 3.09Å |
| 203 | S | 43.9 | Very low | 46.4 | Very low | 120 Ų | 120 | 151.9 Ų | 151.9 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 116.6 | -179 | 49.2 | 0 | 0 | 0 | 0 | 110.1 | T201 | T201-S203 PolarHBondContact O-N 2.97Š|
| 204 | C | 39.8 | Very low | 46.4 | Very low | 108 Ų | 108 | 152 Ų | 152 | 73% | 0.73 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 156.4 | 174.5 | -61 | 0 | 0 | 0 | 0 | 111 | P202 A206 | P202-C204 PolarHBondContact O-N 3.24Å; P202-C204 VanDerWaalsContact O-N 3.09Å; C204-A206 PolarHBondContact O-N 3.2Å |
| 205 | W | 48.6 | Very low | 45.9 | Very low | 264 Ų | 264 | 150 Ų | 150 | 100% | 1 | 81% | 0.806 | S | S | * | * | | | trans | -41.1 | 107.5 | 177.7 | -57.7 | 86.6 | 0 | 0 | 0 | 112.9 | | |
| 206 | A | 38.6 | Very low | 46.2 | Very low | 102 Ų | 102 | 150 Ų | 150 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -92.3 | 103.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | C204 | C204-A206 PolarHBondContact O-N 3.2Š|
| 207 | E | 44.3 | Very low | 46 | Very low | 186 Ų | 186 | 153 Ų | 153 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | | | trans | -81.8 | 160.9 | 165.3 | -175.6 | 167 | -177 | 0 | 0 | 109.4 | | |
| 208 | E | 43.8 | Very low | 46.2 | Very low | 198 Ų | 198 | 150.4 Ų | 150.4 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | | | trans | 79.7 | 150.2 | 173.9 | -160.8 | 161.2 | -129.2 | 0 | 0 | 117.6 | | |
| 209 | G | 40.3 | Very low | 46.1 | Very low | 73 Ų | 73 | 150 Ų | 150 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | | | trans | 90.1 | 91.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 210 | A | 44.3 | Very low | 46.3 | Very low | 102 Ų | 102 | 149.5 Ų | 149.5 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | | | trans | -81.3 | 132.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 211 | E | 38.3 | Very low | 46.4 | Very low | 198 Ų | 198 | 152 Ų | 152 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | | | trans | -163.9 | 171.4 | 135.1 | -115.8 | 178.7 | 177.3 | 0 | 0 | 114.2 | | |
| 212 | K | 55.1 | Low | 46.8 | Very low | 203 Ų | 203 | 149.5 Ų | 149.5 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | | | trans | -100.2 | 113.5 | -159.2 | -58.8 | 167.2 | -173.1 | 166.6 | 0 | 112.4 | | |
| 213 | R | 48.1 | Very low | 47.3 | Very low | 241 Ų | 241 | 147.4 Ų | 147.4 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | | | trans | -145.5 | 127.6 | 153 | -152.1 | 163.3 | -176.4 | 90.9 | -1.3 | 113.2 | H215 | R213-H215 PolarHBondContact O-N 3.25Š|
| 214 | S | 50.1 | Low | 48.2 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -76.4 | 98.4 | -175.3 | 36.8 | 0 | 0 | 0 | 0 | 112.1 | Q216 | S214-Q216 PolarHBondContact O-N 3.35Š|
| 215 | H | 42.7 | Very low | 49.6 | Very low | 142 Ų | 142 | 144.1 Ų | 144.1 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | | | trans | -87.8 | 88.7 | 171.8 | -158.3 | 68.1 | 0 | 0 | 0 | 111 | R213 R217 | R213-H215 PolarHBondContact O-N 3.25Å; H215-R217 VanDerWaalsContact C-N 3.3Å; H215-R217 PolarHBondContact CD2-NE 2.96Å; H215-R217 VanDerWaalsContact CD2-NE 3.29Å; H215-R217 PolarHBondContact NE2-NE 2.79Å; H215-R217 PolarHBondContact NE2-NH2 2.74Å; H215-R217 PolarHBondContact O-N 3.37Å |
| 216 | Q | 51.9 | Low | 50.7 | Low | 185 Ų | 185 | 136.7 Ų | 136.7 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | | | trans | -71.9 | 75.3 | -173.4 | -170.7 | 172.4 | -17.1 | 0 | 0 | 112.8 | S214 | S214-Q216 PolarHBondContact O-N 3.35Š|
| 217 | R | 50.4 | Low | 52.7 | Low | 193 Ų | 193 | 136.9 Ų | 136.9 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | | | trans | -94.1 | 124.7 | 164.5 | -70.7 | -178.5 | -176.1 | -95.3 | -4.5 | 109.2 | H215 A219 | H215-R217 VanDerWaalsContact C-N 3.3Å; H215-R217 PolarHBondContact CD2-NE 2.96Å; H215-R217 VanDerWaalsContact CD2-NE 3.29Å; H215-R217 PolarHBondContact NE2-NE 2.79Å; H215-R217 PolarHBondContact NE2-NH2 2.74Å; H215-R217 PolarHBondContact O-N 3.37Å; R217-A219 VanDerWaalsContact C-N 3.25Å; R217-A219 PolarHBondContact O-N 2.68Å |
| 218 | S | 52.7 | Low | 54.6 | Low | 114 Ų | 114 | 134.1 Ų | 134.1 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | | | trans | -70.1 | 70.7 | -173.1 | -53.3 | 0 | 0 | 0 | 0 | 113.7 | S220 | S218-S220 VanDerWaalsContact C-N 3.25Å; S218-S220 PolarHBondContact O-N 2.87Å |
| 219 | A | 47.4 | Very low | 56.6 | Low | 74 Ų | 74 | 129.4 Ų | 129.4 | 61% | 0.612 | 70% | 0.698 | S | S | * | * | | | trans | -86.8 | 56.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R217 W221 | R217-A219 VanDerWaalsContact C-N 3.25Å; R217-A219 PolarHBondContact O-N 2.68Å; A219-W221 PolarHBondContact O-N 3.23Å |
| 220 | S | 54 | Low | 58.8 | Low | 117 Ų | 117 | 131.2 Ų | 131.2 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | | | trans | -72 | 68.4 | 171.4 | -69.5 | 0 | 0 | 0 | 0 | 111.2 | S218 G222 | S218-S220 VanDerWaalsContact C-N 3.25Å; S218-S220 PolarHBondContact O-N 2.87Å; S220-G222 PolarHBondContact O-N 3.3Å |
| 221 | W | 47.8 | Very low | 61 | Low | 240 Ų | 240 | 129.8 Ų | 129.8 | 91% | 0.909 | 66% | 0.664 | S | S | * | * | | | trans | -67.9 | 85.8 | 158.4 | -73.8 | 75.9 | 0 | 0 | 0 | 106.8 | A219 S223 | A219-W221 PolarHBondContact O-N 3.23Å; W221-S223 PolarHBondContact O-N 3.06Å |
| 222 | G | 53.1 | Low | 63.5 | Low | 58 Ų | 58 | 123 Ų | 123 | 60% | 0.598 | 64% | 0.642 | S | S | * | * | | | trans | -57.6 | 120.5 | -162.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S220 | S220-G222 PolarHBondContact O-N 3.3Š|
| 223 | S | 58.1 | Low | 65.2 | Low | 63 Ų | 63 | 119 Ų | 119 | 44% | 0.441 | 63% | 0.625 | S | S | . | * | | | trans | 40.5 | 98.7 | 167.4 | -172 | 0 | 0 | 0 | 0 | 115.7 | W221 D225 Q226 L227 | W221-S223 PolarHBondContact O-N 3.06Å; S223-D225 PolarHBondContact O-N 2.96Å; S223-D225 WeakPolarHBondContact OG-CB 3.48Å; S223-D225 PolarHBondContact OG-N 3.44Å; S223-Q226 WeakPolarHBondContact O-CB 3.46Å; S223-Q226 PolarHBondContact O-N 2.96Å; S223-Q226 PolarHBondContact OG-N 3.45Å; S223-L227 PolarHBondContact O-N 3.26Å |
| 224 | A | 62.6 | Low | 67.3 | Low | 64 Ų | 64 | 112.1 Ų | 112.1 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -53.8 | -23.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L227 K228 | A224-L227 PolarHBondContact O-N 2.7Å; A224-K228 VanDerWaalsContact O-CG 3.31Å; A224-K228 WeakPolarHBondContact O-CG 3.16Å; A224-K228 PolarHBondContact O-N 3.44Å |
| 225 | D | 70.5 | Confident | 69.2 | Low | 94 Ų | 94 | 114.6 Ų | 114.6 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -76.8 | -32.4 | 175.6 | -52.6 | -65.3 | 0 | 0 | 0 | 113 | S223 L227 K228 E229 | S223-D225 PolarHBondContact O-N 2.96Å; S223-D225 WeakPolarHBondContact OG-CB 3.48Å; S223-D225 PolarHBondContact OG-N 3.44Å; D225-L227 VanDerWaalsContact C-N 3.29Å; D225-L227 PolarHBondContact O-N 2.81Å; D225-K228 PolarHBondContact O-N 3.07Å; D225-K228 WeakPolarHBondContact OD1-CD 3.31Å; D225-K228 WeakPolarHBondContact OD1-CE 3.39Å; D225-K228 IonicContact OD1-NZ 3.92Å; D225-K228 PolarHBondContact OD1-NZ 3.08Å; D225-E229 VanDerWaalsContact O-CB 3.28Å; D225-E229 WeakPolarHBondContact O-CB 3.36Å; D225-E229 PolarHBondContact O-N 2.76Å |
| 226 | Q | 71.3 | Confident | 71.5 | Confident | 109 Ų | 109 | 113.3 Ų | 113.3 | 51% | 0.509 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.5 | -38.8 | 168.3 | -174.4 | -178.3 | 96.7 | 0 | 0 | 110.8 | S223 E229 Q230 | S223-Q226 WeakPolarHBondContact O-CB 3.46Å; S223-Q226 PolarHBondContact O-N 2.96Å; S223-Q226 PolarHBondContact OG-N 3.45Å; Q226-E229 PolarHBondContact O-N 2.97Å; Q226-Q230 WeakPolarHBondContact O-CB 3.36Å; Q226-Q230 WeakPolarHBondContact O-CG 3.05Å; Q226-Q230 PolarHBondContact O-N 3.3Å |
| 227 | L | 79.9 | Confident | 73.2 | Confident | 105 Ų | 105 | 111 Ų | 111 | 55% | 0.55 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.8 | -43.7 | 173.5 | 179.8 | 60.2 | 0 | 0 | 0 | 111.7 | S223 A224 D225 E229 Q230 I231 | S223-L227 PolarHBondContact O-N 3.26Å; A224-L227 PolarHBondContact O-N 2.7Å; D225-L227 VanDerWaalsContact C-N 3.29Å; D225-L227 PolarHBondContact O-N 2.81Å; L227-E229 VanDerWaalsContact C-N 3.31Å; L227-E229 PolarHBondContact O-N 2.76Å; L227-Q230 PolarHBondContact O-N 2.74Å; L227-I231 HydrophobicContact CD1-CD1 3.95Å; L227-I231 HydrophobicContact CD1-CG1 4.28Å; L227-I231 HydrophobicContact CG-CD1 3.92Å; L227-I231 WeakPolarHBondContact O-CB 3.46Å; L227-I231 VanDerWaalsContact O-CG1 3.24Å; L227-I231 WeakPolarHBondContact O-CG1 3.15Å; L227-I231 PolarHBondContact O-N 2.73Å |
| 228 | K | 83.9 | Confident | 74.8 | Confident | 129 Ų | 129 | 106.6 Ų | 106.6 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.1 | -42 | 173 | -68.3 | 167 | -155.9 | 165 | 0 | 111.5 | A224 D225 I231 A232 | A224-K228 VanDerWaalsContact O-CG 3.31Å; A224-K228 WeakPolarHBondContact O-CG 3.16Å; A224-K228 PolarHBondContact O-N 3.44Å; D225-K228 PolarHBondContact O-N 3.07Å; D225-K228 WeakPolarHBondContact OD1-CD 3.31Å; D225-K228 WeakPolarHBondContact OD1-CE 3.39Å; D225-K228 IonicContact OD1-NZ 3.92Å; D225-K228 PolarHBondContact OD1-NZ 3.08Å; K228-I231 PolarHBondContact O-N 3.08Å; K228-A232 WeakPolarHBondContact O-CB 3.5Å; K228-A232 PolarHBondContact O-N 2.79Å |
| 229 | E | 87.3 | Confident | 76.1 | Confident | 98 Ų | 98 | 107.7 Ų | 107.7 | 46% | 0.458 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.9 | -43 | -179.9 | -164.3 | -162.6 | 153.7 | 0 | 0 | 111.7 | D225 Q226 L227 A232 K233 | D225-E229 VanDerWaalsContact O-CB 3.28Å; D225-E229 WeakPolarHBondContact O-CB 3.36Å; D225-E229 PolarHBondContact O-N 2.76Å; Q226-E229 PolarHBondContact O-N 2.97Å; L227-E229 VanDerWaalsContact C-N 3.31Å; L227-E229 PolarHBondContact O-N 2.76Å; E229-A232 PolarHBondContact O-N 2.87Å; E229-K233 HydrophobicContact CG-CD 4.33Å; E229-K233 WeakPolarHBondContact O-CB 3.41Å; E229-K233 WeakPolarHBondContact O-CG 3.03Å; E229-K233 PolarHBondContact O-N 3.05Å; E229-K233 WeakPolarHBondContact OE1-CE 3.23Å; E229-K233 IonicContact OE1-NZ 3.29Å; E229-K233 PolarHBondContact OE1-NZ 2.93Å |
| 230 | Q | 85.9 | Confident | 77.3 | Confident | 111 Ų | 111 | 112.8 Ų | 112.8 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.6 | -42.2 | 172.6 | -75.1 | -178.6 | 3.7 | 0 | 0 | 111.6 | Q226 L227 A232 K233 L234 | Q226-Q230 WeakPolarHBondContact O-CB 3.36Å; Q226-Q230 WeakPolarHBondContact O-CG 3.05Å; Q226-Q230 PolarHBondContact O-N 3.3Å; L227-Q230 PolarHBondContact O-N 2.74Å; Q230-A232 VanDerWaalsContact C-N 3.34Å; Q230-A232 PolarHBondContact O-N 2.81Å; Q230-K233 PolarHBondContact O-N 3.1Å; Q230-L234 VanDerWaalsContact O-CB 3.25Å; Q230-L234 WeakPolarHBondContact O-CB 3.4Å; Q230-L234 PolarHBondContact O-N 3.28Å |
| 231 | I | 89.8 | Confident | 77.8 | Confident | 73 Ų | 73 | 110.7 Ų | 110.7 | 37% | 0.374 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.8 | -39.2 | 174.4 | -70.2 | 167.2 | 0 | 0 | 0 | 111.1 | L227 K228 R235 | L227-I231 HydrophobicContact CD1-CD1 3.95Å; L227-I231 HydrophobicContact CD1-CG1 4.28Å; L227-I231 HydrophobicContact CG-CD1 3.92Å; L227-I231 WeakPolarHBondContact O-CB 3.46Å; L227-I231 VanDerWaalsContact O-CG1 3.24Å; L227-I231 WeakPolarHBondContact O-CG1 3.15Å; L227-I231 PolarHBondContact O-N 2.73Å; K228-I231 PolarHBondContact O-N 3.08Å; I231-R235 WeakPolarHBondContact O-CB 3.4Å; I231-R235 WeakPolarHBondContact O-CG 3.25Å; I231-R235 PolarHBondContact O-N 3.26Å |
| 232 | A | 90.6 | Very high | 78.4 | Confident | 56 Ų | 56 | 108.1 Ų | 108.1 | 46% | 0.463 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.5 | -46.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K228 E229 Q230 R235 Q236 | K228-A232 WeakPolarHBondContact O-CB 3.5Å; K228-A232 PolarHBondContact O-N 2.79Å; E229-A232 PolarHBondContact O-N 2.87Å; Q230-A232 VanDerWaalsContact C-N 3.34Å; Q230-A232 PolarHBondContact O-N 2.81Å; A232-R235 PolarHBondContact O-N 3.04Å; A232-Q236 WeakPolarHBondContact O-CB 3.31Å; A232-Q236 PolarHBondContact O-N 2.88Å |
| 233 | K | 91 | Very high | 78.6 | Confident | 119 Ų | 119 | 113.5 Ų | 113.5 | 52% | 0.517 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.1 | -44.2 | 175.2 | -77.7 | 171.8 | 167.4 | 172.3 | 0 | 111.7 | E229 Q230 Q236 Q237 | E229-K233 HydrophobicContact CG-CD 4.33Å; E229-K233 WeakPolarHBondContact O-CB 3.41Å; E229-K233 WeakPolarHBondContact O-CG 3.03Å; E229-K233 PolarHBondContact O-N 3.05Å; E229-K233 WeakPolarHBondContact OE1-CE 3.23Å; E229-K233 IonicContact OE1-NZ 3.29Å; E229-K233 PolarHBondContact OE1-NZ 2.93Å; Q230-K233 PolarHBondContact O-N 3.1Å; K233-Q236 PolarHBondContact O-N 2.89Å; K233-Q237 WeakPolarHBondContact O-CB 3.46Å; K233-Q237 PolarHBondContact O-N 2.96Å |
| 234 | L | 92.5 | Very high | 78.2 | Confident | 95 Ų | 95 | 114.4 Ų | 114.4 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.4 | -44.4 | 175.3 | -179 | 58.4 | 0 | 0 | 0 | 112 | Q230 Q236 Q237 L238 | Q230-L234 VanDerWaalsContact O-CB 3.25Å; Q230-L234 WeakPolarHBondContact O-CB 3.4Å; Q230-L234 PolarHBondContact O-N 3.28Å; L234-Q236 PolarHBondContact O-N 3.41Å; L234-Q237 PolarHBondContact O-N 3.45Å; L234-L238 HydrophobicContact CD1-CD1 4.16Å; L234-L238 HydrophobicContact CD1-CG 4.35Å; L234-L238 HydrophobicContact CG-CD1 4.12Å; L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 VanDerWaalsContact O-CG 3.31Å; L234-L238 WeakPolarHBondContact O-CG 3.43Å; L234-L238 PolarHBondContact O-N 2.93Å |
| 235 | R | 89.8 | Confident | 77.9 | Confident | 168 Ų | 168 | 116.3 Ų | 116.3 | 63% | 0.634 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.4 | -44.3 | 174.2 | -76.4 | 171.6 | 177.6 | -162.4 | -0.2 | 111.7 | I231 A232 L238 Q239 | I231-R235 WeakPolarHBondContact O-CB 3.4Å; I231-R235 WeakPolarHBondContact O-CG 3.25Å; I231-R235 PolarHBondContact O-N 3.26Å; A232-R235 PolarHBondContact O-N 3.04Å; R235-L238 PolarHBondContact O-N 2.9Å; R235-Q239 WeakPolarHBondContact O-CB 3.28Å; R235-Q239 VanDerWaalsContact O-CG 3.28Å; R235-Q239 WeakPolarHBondContact O-CG 3.43Å; R235-Q239 PolarHBondContact O-N 3.25Å |
| 236 | Q | 90.9 | Very high | 77.1 | Confident | 115 Ų | 115 | 122.9 Ų | 122.9 | 54% | 0.537 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.2 | -40.8 | 178 | -169.5 | -177.7 | 69.6 | 0 | 0 | 111.9 | A232 K233 L234 Q239 R240 | A232-Q236 WeakPolarHBondContact O-CB 3.31Å; A232-Q236 PolarHBondContact O-N 2.88Å; K233-Q236 PolarHBondContact O-N 2.89Å; L234-Q236 PolarHBondContact O-N 3.41Å; Q236-Q239 PolarHBondContact O-N 2.82Å; Q236-R240 WeakPolarHBondContact O-CB 3.47Å; Q236-R240 WeakPolarHBondContact O-CG 3.2Å; Q236-R240 PolarHBondContact O-N 2.94Å |
| 237 | Q | 88.4 | Confident | 76.2 | Confident | 136 Ų | 136 | 125.1 Ų | 125.1 | 64% | 0.636 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.2 | -45 | 174.3 | -178.7 | 176.4 | -14.5 | 0 | 0 | 111.5 | K233 L234 R240 S241 | K233-Q237 WeakPolarHBondContact O-CB 3.46Å; K233-Q237 PolarHBondContact O-N 2.96Å; L234-Q237 PolarHBondContact O-N 3.45Å; Q237-R240 PolarHBondContact O-N 3.17Å; Q237-S241 WeakPolarHBondContact O-CB 3.37Å; Q237-S241 PolarHBondContact O-N 2.96Å |
| 238 | L | 83.1 | Confident | 74.4 | Confident | 100 Ų | 100 | 125.8 Ų | 125.8 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.2 | -35.8 | 177.4 | -70.2 | 168.8 | 0 | 0 | 0 | 112.6 | L234 R235 K242 | L234-L238 HydrophobicContact CD1-CD1 4.16Å; L234-L238 HydrophobicContact CD1-CG 4.35Å; L234-L238 HydrophobicContact CG-CD1 4.12Å; L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 VanDerWaalsContact O-CG 3.31Å; L234-L238 WeakPolarHBondContact O-CG 3.43Å; L234-L238 PolarHBondContact O-N 2.93Å; R235-L238 PolarHBondContact O-N 2.9Å; L238-K242 PolarHBondContact O-N 2.8Å; L238-K242 VanDerWaalsContact O-N 3.17Å |
| 239 | Q | 79.9 | Confident | 73 | Confident | 137 Ų | 137 | 129 Ų | 129 | 64% | 0.64 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.8 | -48.4 | 173.5 | -76.5 | 170.8 | -24.5 | 0 | 0 | 111.7 | R235 Q236 S241 K242 | R235-Q239 WeakPolarHBondContact O-CB 3.28Å; R235-Q239 VanDerWaalsContact O-CG 3.28Å; R235-Q239 WeakPolarHBondContact O-CG 3.43Å; R235-Q239 PolarHBondContact O-N 3.25Å; Q236-Q239 PolarHBondContact O-N 2.82Å; Q239-S241 PolarHBondContact O-N 3.46Å; Q239-K242 PolarHBondContact O-N 2.92Å |
| 240 | R | 72.2 | Confident | 71 | Confident | 182 Ų | 182 | 132.3 Ų | 132.3 | 69% | 0.687 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -62.6 | -41.5 | 175.8 | -71.3 | 179.7 | 69.5 | 145.3 | 1.2 | 111.5 | Q236 Q237 K242 Q243 S244 | Q236-R240 WeakPolarHBondContact O-CB 3.47Å; Q236-R240 WeakPolarHBondContact O-CG 3.2Å; Q236-R240 PolarHBondContact O-N 2.94Å; Q237-R240 PolarHBondContact O-N 3.17Å; R240-K242 VanDerWaalsContact C-N 3.35Å; R240-K242 PolarHBondContact O-N 3.42Å; R240-Q243 PolarHBondContact O-N 3.15Å; R240-S244 VanDerWaalsContact O-CB 3.25Å; R240-S244 WeakPolarHBondContact O-CB 3.22Å; R240-S244 PolarHBondContact O-N 3.07Å |
| 241 | S | 64.5 | Low | 69.4 | Low | 73 Ų | 73 | 136.5 Ų | 136.5 | 51% | 0.51 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -55.5 | -45.2 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 112.5 | Q237 Q239 Q243 S244 | Q237-S241 WeakPolarHBondContact O-CB 3.37Å; Q237-S241 PolarHBondContact O-N 2.96Å; Q239-S241 PolarHBondContact O-N 3.46Å; S241-Q243 PolarHBondContact O-N 2.93Å; S241-S244 PolarHBondContact O-N 3.1Å |
| 242 | K | 61.2 | Low | 67.1 | Low | 185 Ų | 185 | 139.6 Ų | 139.6 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -63.6 | -21.8 | 179.7 | -77.5 | -169.3 | 176.9 | -169.3 | 0 | 114.8 | L238 Q239 R240 | L238-K242 PolarHBondContact O-N 2.8Å; L238-K242 VanDerWaalsContact O-N 3.17Å; Q239-K242 PolarHBondContact O-N 2.92Å; R240-K242 VanDerWaalsContact C-N 3.35Å; R240-K242 PolarHBondContact O-N 3.42Å |
| 243 | Q | 57.8 | Low | 65.2 | Low | 171 Ų | 171 | 148 Ų | 148 | 80% | 0.799 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -103.7 | -26.1 | 176 | -66.7 | -173.6 | -14.4 | 0 | 0 | 113 | R240 S241 S245 | R240-Q243 PolarHBondContact O-N 3.15Å; S241-Q243 PolarHBondContact O-N 2.93Å; Q243-S245 PolarHBondContact O-N 3.13Å |
| 244 | S | 50.1 | Low | 62.9 | Low | 82 Ų | 82 | 150.9 Ų | 150.9 | 57% | 0.573 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -66.4 | -4.1 | 177.5 | -167.3 | 0 | 0 | 0 | 0 | 114.6 | R240 S241 R246 | R240-S244 VanDerWaalsContact O-CB 3.25Å; R240-S244 WeakPolarHBondContact O-CB 3.22Å; R240-S244 PolarHBondContact O-N 3.07Å; S241-S244 PolarHBondContact O-N 3.1Å; S244-R246 PolarHBondContact O-N 2.92Å; S244-R246 VanDerWaalsContact O-N 3.14Å |
| 245 | S | 56.3 | Low | 60.5 | Low | 104 Ų | 104 | 150.7 Ų | 150.7 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -69.8 | -0.9 | -179.1 | -171.4 | 0 | 0 | 0 | 0 | 115.2 | Q243 | Q243-S245 PolarHBondContact O-N 3.13Š|
| 246 | R | 53.2 | Low | 58.8 | Low | 233 Ų | 233 | 148.9 Ų | 148.9 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -131.4 | 12.1 | -174.4 | -69.1 | -165.3 | 177.8 | -150.3 | 0.2 | 116.6 | S244 | S244-R246 PolarHBondContact O-N 2.92Å; S244-R246 VanDerWaalsContact O-N 3.14Å |
| 247 | H | 52.5 | Low | 56.5 | Low | 156 Ų | 156 | 150.5 Ų | 150.5 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | | | trans | -151.3 | 100.4 | 162.7 | -145.4 | -100.1 | 0 | 0 | 0 | 113 | | |
| 248 | S | 40.6 | Very low | 54.4 | Low | 118 Ų | 118 | 152.6 Ų | 152.6 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | | | trans | -154.8 | 79.8 | 165.4 | -165.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 249 | K | 55.7 | Low | 52.4 | Low | 198 Ų | 198 | 151.3 Ų | 151.3 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | | | trans | -135.1 | 22.4 | 178.9 | -102.9 | -77.4 | -177.5 | 169.2 | 0 | 112.1 | | |
| 250 | E | 44.3 | Very low | 50.7 | Low | 167 Ų | 167 | 151 Ų | 151 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | | | trans | -127.3 | 95.4 | 179.6 | -168.6 | 146.2 | -137.8 | 0 | 0 | 111.7 | D252 | E250-D252 PolarHBondContact O-N 3.15Š|
| 251 | K | 53.2 | Low | 49.4 | Very low | 198 Ų | 198 | 150.6 Ų | 150.6 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | | | trans | 9.1 | 91 | 135.8 | -174.5 | -167.2 | 174.1 | -170.2 | 0 | 116.6 | | |
| 252 | D | 41.7 | Very low | 48.4 | Very low | 139 Ų | 139 | 154.2 Ų | 154.2 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | trans | -135 | 151.5 | 149.1 | -148 | -48.2 | 0 | 0 | 0 | 110.8 | E250 | E250-D252 PolarHBondContact O-N 3.15Š|
| 253 | R | 51.3 | Low | 47.5 | Very low | 231 Ų | 231 | 150.7 Ų | 150.7 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | | | trans | -118.9 | 68.4 | -166.4 | -66 | 176.3 | 109.4 | -104.8 | 9 | 111.4 | | |
| 254 | Q | 40.7 | Very low | 46.8 | Very low | 180 Ų | 180 | 149.9 Ų | 149.9 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | | | trans | -122.4 | 84.8 | 173.1 | -62.4 | -164.3 | 5.9 | 0 | 0 | 112 | | |
| 255 | S | 44.1 | Very low | 46.2 | Very low | 91 Ų | 91 | 151.6 Ų | 151.6 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | trans | -104.8 | 128.7 | 162 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | L257 | S255-L257 PolarHBondContact O-N 3.07Š|
| 256 | P | 52.1 | Low | 45.3 | Very low | 131 Ų | 131 | 153.7 Ų | 153.7 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -69.3 | 10.1 | -173.6 | -22.9 | 34.9 | 0 | 0 | 0 | 116.9 | | |
| 257 | L | 42.9 | Very low | 44.4 | Very low | 149 Ų | 149 | 149.1 Ų | 149.1 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | | | trans | -105.5 | 115.3 | -172.9 | -61.5 | -179.3 | 0 | 0 | 0 | 111.5 | S255 G259 | S255-L257 PolarHBondContact O-N 3.07Å; L257-G259 PolarHBondContact O-N 2.94Å; L257-G259 VanDerWaalsContact O-N 3.15Å |
| 258 | H | 44.5 | Very low | 43.6 | Very low | 179 Ų | 179 | 149.6 Ų | 149.6 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | | | trans | -75.3 | 99 | -176.9 | -150.8 | 99.4 | 0 | 0 | 0 | 110.4 | | |
| 259 | G | 40.6 | Very low | 43.2 | Very low | 73 Ų | 73 | 149 Ų | 149 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | -122 | 104.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L257 | L257-G259 PolarHBondContact O-N 2.94Å; L257-G259 VanDerWaalsContact O-N 3.15Å |
| 260 | N | 44.2 | Very low | 42 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | -77.9 | 122.5 | -177.9 | -71.9 | -50 | 0 | 0 | 0 | 112.1 | | |
| 261 | H | 45 | Very low | 41.5 | Very low | 174 Ų | 174 | 141.7 Ų | 141.7 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | | | trans | -149.9 | 129.8 | 148.9 | -139.9 | -77.1 | 0 | 0 | 0 | 111.3 | | |
| 262 | I | 44.3 | Very low | 40.4 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | -118 | 118.3 | -179.5 | -28.8 | 172.8 | 0 | 0 | 0 | 108 | | |
| 263 | T | 41.5 | Very low | 40.3 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | | | trans | 178.6 | 96.4 | 162.7 | 28.6 | 0 | 0 | 0 | 0 | 106 | | |
| 264 | I | 43.5 | Very low | 39.6 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | | 59.8 | 99.3 | 85.2 | -58.6 | 171.1 | 0 | 0 | 0 | 111.2 | | |
| 265 | S | 38.9 | Very low | 39.5 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -104 | 114.6 | 170.5 | 54.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 266 | H | 36.8 | Very low | 39.2 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | | | trans | -141 | 115.5 | 165.9 | -161.5 | 71.8 | 0 | 0 | 0 | 110.6 | Q268 | H266-Q268 PolarHBondContact NE2-NE2 3.17Š|
| 267 | T | 34.1 | Very low | 38.8 | Very low | 137 Ų | 137 | 138 Ų | 138 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | | | trans | -119.4 | 97.5 | -176.8 | 47.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 268 | Q | 35.2 | Very low | 38.6 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -149.4 | 112.2 | 165.6 | -71.6 | -164.7 | 97.3 | 0 | 0 | 110.6 | H266 | H266-Q268 PolarHBondContact NE2-NE2 3.17Š|
| 269 | A | 31.6 | Very low | 38.4 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | | | trans | -173.5 | 150.8 | 155.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 270 | T | 31.3 | Very low | 38.1 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | | | trans | -120.1 | 126.5 | -168.1 | -55.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 271 | G | 33.7 | Very low | 37.8 | Very low | 67 Ų | 67 | 139 Ų | 139 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | trans | 76.3 | 129.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 272 | S | 30.6 | Very low | 37.6 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | | | trans | -162 | 156 | 143.9 | -88.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 273 | R | 39.8 | Very low | 37.3 | Very low | 242 Ų | 242 | 136.5 Ų | 136.5 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | | | trans | -116.6 | 126.3 | -163.8 | 178.1 | -176.7 | -177.4 | -122.7 | 8.8 | 110.7 | | |
| 274 | S | 35.1 | Very low | 37.3 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -134.3 | 160.4 | 171.6 | 57.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 275 | V | 39.9 | Very low | 37.1 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 70% | 0.703 | 80% | 0.804 | S | S | * | * | | | trans | -104.2 | 141.1 | -162.2 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 276 | P | 38.3 | Very low | 37.2 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | | | trans | -71.6 | 150.9 | 179.3 | 30 | -36.8 | 0 | 0 | 0 | 113.2 | | |
| 277 | M | 42.1 | Very low | 37.1 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 82% | 0.823 | 81% | 0.812 | S | S | * | * | | | trans | -131.6 | 156.7 | 170.9 | -82.6 | -67.6 | 140.5 | 0 | 0 | 110.1 | | |
| 278 | P | 40.4 | Very low | 37.5 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | | | trans | -84.4 | 159.5 | -148.9 | 31.2 | -37.1 | 0 | 0 | 0 | 116.5 | | |
| 279 | L | 40.1 | Very low | 37.9 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | | | trans | -83.2 | 125.3 | 179.7 | -68.9 | 166.4 | 0 | 0 | 0 | 113 | | |
| 280 | S | 33.4 | Very low | 38 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | -176.3 | 145.7 | 153 | -82.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 281 | N | 37.5 | Very low | 38.7 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | | | cis | -152.1 | 145.5 | -14.2 | 47.2 | 8.4 | 0 | 0 | 0 | 107.7 | S283 | N281-S283 PolarHBondContact O-N 3.12Š|
| 282 | I | 40.6 | Very low | 39 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | | | trans | -87.7 | 115.4 | -167.7 | -64 | 177.7 | 0 | 0 | 0 | 111.7 | | |
| 283 | S | 38.8 | Very low | 39.8 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | | | trans | -62.6 | 128.6 | 165.1 | -61.1 | 0 | 0 | 0 | 0 | 111 | N281 P285 | N281-S283 PolarHBondContact O-N 3.12Å; S283-P285 WeakPolarHBondContact O-CD 3.4Å |
| 284 | V | 41.9 | Very low | 39.9 | Very low | 138 Ų | 138 | 134 Ų | 134 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -65.5 | 114.2 | -175.2 | 179.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 285 | P | 38.9 | Very low | 40.6 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | | | trans | -87.4 | 129.7 | 166.6 | 1 | 21 | 0 | 0 | 0 | 108.8 | S283 S287 | S283-P285 WeakPolarHBondContact O-CD 3.4Å; P285-S287 PolarHBondContact O-N 3.24Å |
| 286 | K | 40.2 | Very low | 41.2 | Very low | 205 Ų | 205 | 135.6 Ų | 135.6 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | | | trans | -60.1 | 126 | 172 | -72.8 | 172.2 | 176.3 | 172.1 | 0 | 109.2 | S288 | K286-S288 PolarHBondContact O-N 3.43Å; K286-S288 VanDerWaalsContact O-N 3.08Å |
| 287 | S | 35.5 | Very low | 42.4 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -61.1 | 113.3 | -177.6 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | P285 V289 | P285-S287 PolarHBondContact O-N 3.24Å; S287-V289 PolarHBondContact O-N 3.33Å |
| 288 | S | 43 | Very low | 43.3 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -79.4 | 107.4 | 169.6 | -175 | 0 | 0 | 0 | 0 | 108.3 | K286 S290 | K286-S288 PolarHBondContact O-N 3.43Å; K286-S288 VanDerWaalsContact O-N 3.08Å; S288-S290 PolarHBondContact O-N 3.32Å |
| 289 | V | 42 | Very low | 44.5 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | | | trans | -71.2 | 103.4 | 179.6 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | S287 R291 | S287-V289 PolarHBondContact O-N 3.33Å; V289-R291 PolarHBondContact O-N 2.97Å |
| 290 | S | 35.6 | Very low | 46 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | | | trans | -61.2 | 121.3 | 175.5 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | S288 V292 | S288-S290 PolarHBondContact O-N 3.32Å; S290-V292 VanDerWaalsContact C-N 3.31Å; S290-V292 PolarHBondContact O-N 3.17Å |
| 291 | R | 45.6 | Very low | 47.6 | Very low | 243 Ų | 243 | 126.6 Ų | 126.6 | 92% | 0.917 | 74% | 0.735 | S | S | * | * | | | trans | -81.3 | 75.3 | 179.7 | -71.2 | -169.7 | -71.7 | -171.6 | -3.7 | 111.5 | V289 | V289-R291 PolarHBondContact O-N 2.97Š|
| 292 | V | 39.8 | Very low | 48.9 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 70% | 0.703 | 73% | 0.734 | S | S | * | * | | | trans | -81.9 | 127.6 | 161.5 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | S290 C294 | S290-V292 VanDerWaalsContact C-N 3.31Å; S290-V292 PolarHBondContact O-N 3.17Å; V292-C294 PolarHBondContact O-N 3.2Å |
| 293 | P | 47.8 | Very low | 50.1 | Low | 100 Ų | 100 | 123.6 Ų | 123.6 | 65% | 0.649 | 72% | 0.715 | S | S | * | * | | | trans | -76.5 | 107.9 | -177.5 | 29.9 | -34.2 | 0 | 0 | 0 | 111.5 | N295 | P293-N295 PolarHBondContact O-N 3.17Š|
| 294 | C | 41.4 | Very low | 51.4 | Low | 126 Ų | 126 | 122.5 Ų | 122.5 | 85% | 0.851 | 70% | 0.698 | S | S | * | * | | | trans | -85 | 105 | 172.3 | -137.7 | 0 | 0 | 0 | 0 | 109.7 | V292 | V292-C294 PolarHBondContact O-N 3.2Š|
| 295 | N | 49.8 | Very low | 52.3 | Low | 145 Ų | 145 | 124.1 Ų | 124.1 | 78% | 0.775 | 69% | 0.694 | S | S | * | * | | | trans | -103.8 | 59.8 | -176.3 | -69.9 | -67.3 | 0 | 0 | 0 | 112.3 | P293 | P293-N295 PolarHBondContact O-N 3.17Š|
| 296 | V | 52.2 | Low | 53.4 | Low | 123 Ų | 123 | 123.9 Ų | 123.9 | 75% | 0.745 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -145.2 | 122.2 | 164.7 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | G298 | V296-G298 VanDerWaalsContact C-N 3.32Å; V296-G298 PolarHBondContact O-N 3.39Å |
| 297 | E | 64.3 | Low | 54.1 | Low | 197 Ų | 197 | 121 Ų | 121 | 92% | 0.921 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 40.6 | 40.4 | 158.2 | -130 | 68.2 | -167.9 | 0 | 0 | 119 | | |
| 298 | G | 60.5 | Low | 55.1 | Low | 69 Ų | 69 | 121.7 Ų | 121.7 | 71% | 0.711 | 67% | 0.672 | S | S | * | * | | | trans | -111.9 | 118.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V296 | V296-G298 VanDerWaalsContact C-N 3.32Å; V296-G298 PolarHBondContact O-N 3.39Å |
| 299 | I | 64.7 | Low | 55.4 | Low | 96 Ų | 96 | 125 Ų | 125 | 49% | 0.492 | 67% | 0.672 | S | S | . | * | | | trans | -62.6 | 152.2 | 162.1 | 54.5 | 170.9 | 0 | 0 | 0 | 109.4 | E304 F307 | I299-E304 HydrophobicContact CD1-CB 4.4Å; I299-E304 HydrophobicContact CD1-CG 3.79Å; I299-E304 HydrophobicContact CG1-CG 3.84Å; I299-F307 HydrophobicContact CD1-CD2 4.2Å |
| 300 | S | 72.5 | Confident | 55.7 | Low | 50 Ų | 50 | 126 Ų | 126 | 35% | 0.35 | 67% | 0.669 | S | S | . | * | | | trans | -67.5 | 145.8 | 179.2 | 58.7 | 0 | 0 | 0 | 0 | 111 | E302 L303 E304 | S300-E302 PolarHBondContact O-N 3.34Å; S300-L303 WeakPolarHBondContact O-CA 3.24Å; S300-L303 PolarHBondContact O-N 3.34Å; S300-L303 WeakPolarHBondContact OG-CD1 3.48Å; S300-L303 WeakPolarHBondContact OG-CG 3.41Å; S300-E304 PolarHBondContact O-N 2.84Å |
| 301 | P | 66.4 | Low | 56.2 | Low | 90 Ų | 90 | 128.4 Ų | 128.4 | 58% | 0.584 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -3.2 | -178 | 26.7 | -35.8 | 0 | 0 | 0 | 114.8 | E304 | P301-E304 VanDerWaalsContact CA-OE1 3.28Å; P301-E304 WeakPolarHBondContact CA-OE1 3.25Å |
| 302 | E | 65.8 | Low | 56 | Low | 160 Ų | 160 | 122.1 Ų | 122.1 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -35.9 | 167.8 | -63.1 | 176.3 | 160.6 | 0 | 0 | 111.3 | S300 | S300-E302 PolarHBondContact O-N 3.34Š|
| 303 | L | 66.1 | Low | 56 | Low | 83 Ų | 83 | 120.5 Ų | 120.5 | 44% | 0.435 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.5 | -25 | 177.1 | -67.6 | 177.6 | 0 | 0 | 0 | 113.4 | S300 K305 V306 F307 | S300-L303 WeakPolarHBondContact O-CA 3.24Å; S300-L303 PolarHBondContact O-N 3.34Å; S300-L303 WeakPolarHBondContact OG-CD1 3.48Å; S300-L303 WeakPolarHBondContact OG-CG 3.41Å; L303-K305 PolarHBondContact O-N 3.04Å; L303-K305 VanDerWaalsContact O-N 3.13Å; L303-V306 HydrophobicContact CD2-CG2 4.33Å; L303-V306 WeakPolarHBondContact O-CB 3.42Å; L303-V306 PolarHBondContact O-N 2.84Å; L303-F307 HydrophobicContact CB-CE2 4.33Å; L303-F307 VanDerWaalsContact O-CD2 3.26Å; L303-F307 WeakPolarHBondContact O-CD2 3.38Å; L303-F307 PolarHBondContact O-N 3.12Å |
| 304 | E | 65.1 | Low | 55.6 | Low | 84 Ų | 84 | 124.6 Ų | 124.6 | 39% | 0.393 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -48.9 | -40 | 171.6 | -72.6 | 175.3 | -138.3 | 0 | 0 | 111.8 | I299 S300 P301 V306 F307 I308 | I299-E304 HydrophobicContact CD1-CB 4.4Å; I299-E304 HydrophobicContact CD1-CG 3.79Å; I299-E304 HydrophobicContact CG1-CG 3.84Å; S300-E304 PolarHBondContact O-N 2.84Å; P301-E304 VanDerWaalsContact CA-OE1 3.28Å; P301-E304 WeakPolarHBondContact CA-OE1 3.25Å; E304-V306 PolarHBondContact O-N 3.23Å; E304-F307 PolarHBondContact O-N 3.14Å; E304-I308 VanDerWaalsContact O-CG1 3.31Å; E304-I308 WeakPolarHBondContact O-CG1 3.37Å; E304-I308 PolarHBondContact O-N 3.26Å |
| 305 | K | 61.2 | Low | 55.7 | Low | 171 Ų | 171 | 127.6 Ų | 127.6 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -73 | -11.7 | 179.9 | -56.3 | -179.8 | -172.2 | 177.3 | 0 | 114.4 | L303 | L303-K305 PolarHBondContact O-N 3.04Å; L303-K305 VanDerWaalsContact O-N 3.13Å |
| 306 | V | 61.3 | Low | 55.1 | Low | 101 Ų | 101 | 129.3 Ų | 129.3 | 61% | 0.612 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -90 | -27.9 | 175.1 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | L303 E304 | L303-V306 HydrophobicContact CD2-CG2 4.33Å; L303-V306 WeakPolarHBondContact O-CB 3.42Å; L303-V306 PolarHBondContact O-N 2.84Å; E304-V306 PolarHBondContact O-N 3.23Å |
| 307 | F | 56 | Low | 54.8 | Low | 143 Ų | 143 | 129.7 Ų | 129.7 | 63% | 0.627 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -100.4 | -19.9 | -177.8 | -63.5 | -66.9 | 0 | 0 | 0 | 114.2 | I299 L303 E304 K309 | I299-F307 HydrophobicContact CD1-CD2 4.2Å; L303-F307 HydrophobicContact CB-CE2 4.33Å; L303-F307 VanDerWaalsContact O-CD2 3.26Å; L303-F307 WeakPolarHBondContact O-CD2 3.38Å; L303-F307 PolarHBondContact O-N 3.12Å; E304-F307 PolarHBondContact O-N 3.14Å; F307-K309 VanDerWaalsContact C-N 3.25Å; F307-K309 PolarHBondContact O-N 2.88Å |
| 308 | I | 56.3 | Low | 53.7 | Low | 126 Ų | 126 | 125.9 Ų | 125.9 | 65% | 0.646 | 68% | 0.675 | S | S | * | * | | | trans | -74.7 | 82.5 | 166.5 | -60.9 | 164.6 | 0 | 0 | 0 | 108.6 | E304 E310 | E304-I308 VanDerWaalsContact O-CG1 3.31Å; E304-I308 WeakPolarHBondContact O-CG1 3.37Å; E304-I308 PolarHBondContact O-N 3.26Å; I308-E310 PolarHBondContact O-N 2.98Å |
| 309 | K | 49.4 | Very low | 52.6 | Low | 182 Ų | 182 | 131.5 Ų | 131.5 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | | | trans | -68.1 | 108.5 | 163.9 | 177.4 | 171.4 | 178.2 | 173.6 | 0 | 108.3 | F307 N311 | F307-K309 VanDerWaalsContact C-N 3.25Å; F307-K309 PolarHBondContact O-N 2.88Å; K309-N311 PolarHBondContact O-N 2.97Å; K309-N311 VanDerWaalsContact O-N 3.07Å |
| 310 | E | 48.8 | Very low | 52.1 | Low | 144 Ų | 144 | 132.3 Ų | 132.3 | 67% | 0.673 | 69% | 0.691 | S | S | * | * | | | trans | -52.9 | 112.5 | 171.5 | -176.4 | 170.6 | -144.2 | 0 | 0 | 109.9 | I308 N312 | I308-E310 PolarHBondContact O-N 2.98Å; E310-N312 HydrophobicContact CG-CB 4.19Å; E310-N312 VanDerWaalsContact CG-CG 3.42Å; E310-N312 WeakPolarHBondContact CG-ND2 3.36Å; E310-N312 WeakPolarHBondContact CG-OD1 3.45Å; E310-N312 PolarHBondContact OE1-ND2 2.93Å |
| 311 | N | 45.9 | Very low | 50.7 | Low | 148 Ų | 148 | 137.8 Ų | 137.8 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | | | trans | -103.8 | 44.1 | -174.9 | 60 | -13.7 | 0 | 0 | 0 | 111.4 | K309 G313 | K309-N311 PolarHBondContact O-N 2.97Å; K309-N311 VanDerWaalsContact O-N 3.07Å; N311-G313 VanDerWaalsContact C-N 3.26Å; N311-G313 PolarHBondContact O-N 3.34Å |
| 312 | N | 39.9 | Very low | 49.5 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 59% | 0.594 | 73% | 0.725 | S | S | * | * | | | trans | -71.7 | 78.5 | 178.1 | -67.4 | 0.2 | 0 | 0 | 0 | 110.8 | E310 K314 | E310-N312 HydrophobicContact CG-CB 4.19Å; E310-N312 VanDerWaalsContact CG-CG 3.42Å; E310-N312 WeakPolarHBondContact CG-ND2 3.36Å; E310-N312 WeakPolarHBondContact CG-OD1 3.45Å; E310-N312 PolarHBondContact OE1-ND2 2.93Å; N312-K314 PolarHBondContact O-N 3.32Å |
| 313 | G | 41 | Very low | 48.7 | Very low | 81 Ų | 81 | 140 Ų | 140 | 84% | 0.835 | 73% | 0.727 | S | S | * | * | | | trans | -64.5 | 103.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N311 | N311-G313 VanDerWaalsContact C-N 3.26Å; N311-G313 PolarHBondContact O-N 3.34Å |
| 314 | K | 37.8 | Very low | 48.2 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 81% | 0.809 | 74% | 0.741 | S | S | * | * | | | trans | -157.9 | 91.7 | 154.5 | 44.4 | -178.5 | 176.3 | 179.1 | 0 | 110.3 | N312 | N312-K314 PolarHBondContact O-N 3.32Š|
| 315 | E | 45.2 | Very low | 48.1 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | | | trans | 25 | 103.4 | 133 | -172.8 | 172.7 | -151.6 | 0 | 0 | 117.3 | | |
| 316 | E | 37.3 | Very low | 47.8 | Very low | 181 Ų | 181 | 139 Ų | 139 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | | | | -144.4 | 140.4 | 129.8 | -164 | 169.5 | -160.6 | 0 | 0 | 109 | | |
| 317 | V | 45.6 | Very low | 47.7 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | trans | -83.6 | 120.4 | -175.9 | 173 | 0 | 0 | 0 | 0 | 110.1 | | |
| 318 | S | 40.5 | Very low | 48.1 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | | | trans | -123.9 | 141.7 | 168.3 | -77.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 319 | K | 37.9 | Very low | 48 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | | | trans | -81.8 | 160.1 | -165.2 | -64.8 | 172.7 | -176.7 | 175.2 | 0 | 112.1 | | |
| 320 | P | 53.7 | Low | 48.6 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | trans | -67.5 | 176.2 | 163.5 | 32.4 | -37 | 0 | 0 | 0 | 111.6 | | |
| 321 | L | 43.1 | Very low | 48.6 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | 74.1 | 138.2 | -160 | -64.5 | 70.5 | 0 | 0 | 0 | 111.4 | | |
| 322 | D | 41.4 | Very low | 49.3 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | | | cis | -133.7 | 161.9 | 3.1 | -170.4 | 18.9 | 0 | 0 | 0 | 110.6 | P324 | D322-P324 WeakPolarHBondContact O-CD 3.26Š|
| 323 | I | 48.8 | Very low | 49.5 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | trans | -82.7 | 114.5 | -180 | -58.7 | 175.6 | 0 | 0 | 0 | 109.1 | D325 | I323-D325 PolarHBondContact O-N 3.4Š|
| 324 | P | 55.3 | Low | 49.5 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | | | trans | -68.6 | 124.6 | 177.8 | 28.1 | -33.7 | 0 | 0 | 0 | 110.6 | D322 G326 | D322-P324 WeakPolarHBondContact O-CD 3.26Å; P324-G326 PolarHBondContact O-N 3.31Å; P324-G326 VanDerWaalsContact O-N 3.14Å |
| 325 | D | 62.8 | Low | 49.5 | Very low | 121 Ų | 121 | 147 Ų | 147 | 65% | 0.647 | 79% | 0.79 | S | S | * | * | | | trans | -53.5 | 118.5 | 174.7 | 175 | 29.3 | 0 | 0 | 0 | 110.8 | I323 R327 | I323-D325 PolarHBondContact O-N 3.4Å; D325-R327 PolarHBondContact O-N 2.9Å; D325-R327 WeakPolarHBondContact OD1-CD 3.31Å; D325-R327 VanDerWaalsContact OD1-CG 3.29Å; D325-R327 WeakPolarHBondContact OD1-CG 3.42Å; D325-R327 IonicContact OD1-NE 2.6Å |
| 326 | G | 55.6 | Low | 49.1 | Very low | 81 Ų | 81 | 148.2 Ų | 148.2 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 29.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115 | P324 | P324-G326 PolarHBondContact O-N 3.31Å; P324-G326 VanDerWaalsContact O-N 3.14Å |
| 327 | R | 60.1 | Low | 48.9 | Very low | 215 Ų | 215 | 144.2 Ų | 144.2 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | 4.9 | -169.6 | -66.3 | -179.9 | 173.8 | -79.2 | -2 | 114.7 | D325 | D325-R327 PolarHBondContact O-N 2.9Å; D325-R327 WeakPolarHBondContact OD1-CD 3.31Å; D325-R327 VanDerWaalsContact OD1-CG 3.29Å; D325-R327 WeakPolarHBondContact OD1-CG 3.42Å; D325-R327 IonicContact OD1-NE 2.6Å |
| 328 | R | 64.3 | Low | 48.5 | Very low | 223 Ų | 223 | 142.9 Ų | 142.9 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -118.9 | 118.7 | 170.9 | -157.8 | 170.5 | -167.8 | 163.7 | 3.9 | 111.1 | | |
| 329 | A | 53.6 | Low | 48.4 | Very low | 80 Ų | 80 | 142.8 Ų | 142.8 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 144.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | L331 | A329-L331 PolarHBondContact O-N 3.45Š|
| 330 | P | 61.3 | Low | 48.8 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 133.5 | 173.4 | -24.5 | 34.4 | 0 | 0 | 0 | 111.4 | | |
| 331 | L | 48.4 | Very low | 48.4 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66 | 137.5 | 172.8 | -65.7 | 175.4 | 0 | 0 | 0 | 109.5 | A329 A333 | A329-L331 PolarHBondContact O-N 3.45Å; L331-A333 PolarHBondContact O-N 2.92Å |
| 332 | P | 61.6 | Low | 48.5 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 126.1 | 178.5 | -26.8 | 35.2 | 0 | 0 | 0 | 112 | H334 | P332-H334 PolarHBondContact O-N 2.95Š|
| 333 | A | 45.2 | Very low | 48.6 | Very low | 86 Ų | 86 | 144.3 Ų | 144.3 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | trans | -61 | 113 | 178 | 0 | 0 | 0 | 0 | 0 | 110.1 | L331 Y335 | L331-A333 PolarHBondContact O-N 2.92Å; A333-Y335 PolarHBondContact O-N 3.48Å |
| 334 | H | 40.1 | Very low | 48 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 82% | 0.819 | 78% | 0.778 | S | S | * | * | | | trans | -75.9 | 87.1 | -171.1 | -164.1 | 87.2 | 0 | 0 | 0 | 110.8 | P332 R336 | P332-H334 PolarHBondContact O-N 2.95Å; H334-R336 VanDerWaalsContact C-N 3.28Å; H334-R336 PolarHBondContact O-N 3.32Å |
| 335 | Y | 38 | Very low | 47.2 | Very low | 212 Ų | 212 | 143 Ų | 143 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | | | trans | -66.9 | 82.4 | 179.8 | -104.7 | -82.3 | 0 | 0 | 0 | 112.1 | A333 S337 | A333-Y335 PolarHBondContact O-N 3.48Å; Y335-S337 VanDerWaalsContact C-N 3.31Å; Y335-S337 PolarHBondContact O-N 3.36Å |
| 336 | R | 35.9 | Very low | 45.9 | Very low | 215 Ų | 215 | 145.3 Ų | 145.3 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | trans | -70.6 | 81.6 | 171.8 | -175.6 | -166.1 | -117.2 | -84 | 1.4 | 110.5 | H334 | H334-R336 VanDerWaalsContact C-N 3.28Å; H334-R336 PolarHBondContact O-N 3.32Å |
| 337 | S | 33.9 | Very low | 45 | Very low | 98 Ų | 98 | 147.5 Ų | 147.5 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | | | trans | -118.6 | 101.1 | 167.4 | -70.9 | 0 | 0 | 0 | 0 | 109.9 | Y335 S339 | Y335-S337 VanDerWaalsContact C-N 3.31Å; Y335-S337 PolarHBondContact O-N 3.36Å; S337-S339 PolarHBondContact O-N 2.96Å |
| 338 | S | 37.4 | Very low | 44 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | | | trans | -62.4 | 122.2 | -179.6 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 339 | S | 38.5 | Very low | 42.8 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | -117.9 | 93 | 169.9 | -170.7 | 0 | 0 | 0 | 0 | 109.7 | S337 R341 | S337-S339 PolarHBondContact O-N 2.96Å; S339-R341 PolarHBondContact O-N 3.37Å |
| 340 | T | 46.2 | Very low | 41.8 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | | | trans | -81.4 | 98.7 | -179.6 | 48.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 341 | R | 45.2 | Very low | 40.5 | Very low | 240 Ų | 240 | 142.3 Ų | 142.3 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | | | trans | -135.7 | 137.4 | 161.9 | -59.9 | -159.5 | 80 | -172.8 | 2.9 | 110.8 | S339 | S339-R341 PolarHBondContact O-N 3.37Š|
| 342 | S | 44.4 | Very low | 39.7 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | -116.3 | 135.3 | -168.4 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 343 | I | 43.2 | Very low | 38.4 | Very low | 159 Ų | 159 | 147 Ų | 147 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | | | trans | -177.8 | 114.4 | 152.4 | -121.6 | 66.8 | 0 | 0 | 0 | 103.5 | | |
| 344 | D | 37.5 | Very low | 38.3 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | | 65.8 | 109.1 | 58.9 | -156.7 | 32.5 | 0 | 0 | 0 | 111.2 | | |
| 345 | T | 38.9 | Very low | 38.2 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 64% | 0.644 | 78% | 0.781 | S | S | * | * | | | | -164.4 | 164.5 | 59.1 | 45.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 346 | Q | 33.8 | Very low | 38.2 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | 69.3 | 96.4 | 156.8 | -45 | -140.3 | 25.5 | 0 | 0 | 122.1 | | |
| 347 | T | 38.2 | Very low | 38 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | | 20.5 | 156.2 | 121.8 | 40.1 | 0 | 0 | 0 | 0 | 123.1 | | |
| 348 | P | 39 | Very low | 38 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | cis | -129.7 | 174.2 | 24.1 | 40.9 | -24.8 | 0 | 0 | 0 | 117.4 | | |
| 349 | S | 38.7 | Very low | 38.1 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | -96.1 | 152.7 | -176.2 | 66.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 350 | V | 31.6 | Very low | 37.9 | Very low | 128 Ų | 128 | 139 Ų | 139 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | -141.6 | 117.2 | 159.6 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 351 | Q | 35.8 | Very low | 37.7 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | trans | 45.9 | 130.5 | 139 | -157.5 | 171.7 | -4.2 | 0 | 0 | 120 | | |
| 352 | E | 31.1 | Very low | 38.2 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | | | cis | -166.9 | 176.3 | -8.8 | -136.4 | -160.7 | 167.2 | 0 | 0 | 110.7 | | |
| 353 | R | 33.8 | Very low | 37.6 | Very low | 224 Ų | 224 | 132 Ų | 132 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | | | trans | 70.6 | 135.9 | 150.8 | -76.3 | 163.6 | 171.7 | -124.8 | -14.3 | 121.3 | | |
| 354 | S | 42.1 | Very low | 37 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | | | trans | -121.2 | 148.5 | 179.2 | -44.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 355 | S | 38.5 | Very low | 37 | Very low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | trans | -161.9 | 137.9 | 153.8 | 47.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 356 | S | 38.2 | Very low | 37.3 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | cis | 83.4 | 142.8 | 19.6 | -58.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 357 | C | 31 | Very low | 37.2 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | | | trans | 76.1 | 116.8 | -168.3 | -142.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 358 | S | 35 | Very low | 37.1 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | cis | 101.9 | 144.7 | 30.7 | -66 | 0 | 0 | 0 | 0 | 113.3 | | |
| 359 | S | 38.9 | Very low | 37.5 | Very low | 90 Ų | 90 | 128.4 Ų | 128.4 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | | | trans | 136.2 | 125.7 | 131.6 | -67.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 360 | H | 35.5 | Very low | 38 | Very low | 173 Ų | 173 | 128 Ų | 128 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | | | trans | 61.1 | 151.3 | 144.7 | -60.8 | -48.6 | 0 | 0 | 0 | 121 | | |
| 361 | S | 41.8 | Very low | 37.9 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | cis | -163.7 | 172.7 | -14.8 | -101.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 362 | P | 56.1 | Low | 38.1 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | trans | -113.6 | -167.4 | -162.9 | 43.7 | -36.7 | 0 | 0 | 0 | 116.8 | | |
| 363 | C | 31.5 | Very low | 38.5 | Very low | 123 Ų | 123 | 130 Ų | 130 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | trans | 77.4 | 150.9 | 173.1 | 88.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 364 | V | 30.1 | Very low | 38.6 | Very low | 131 Ų | 131 | 127 Ų | 127 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | cis | -135.1 | 161.5 | 42.3 | 169 | 0 | 0 | 0 | 0 | 113.5 | | |
| 365 | S | 36.5 | Very low | 38.3 | Very low | 101 Ų | 101 | 125.2 Ų | 125.2 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | trans | -142.5 | 149.5 | 165.2 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 366 | P | 46.5 | Very low | 38 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | | | trans | -140.6 | 130.6 | 142.9 | 36.1 | -21 | 0 | 0 | 0 | 115.7 | | |
| 367 | F | 31.1 | Very low | 38.9 | Very low | 191 Ų | 191 | 125.2 Ų | 125.2 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | | -0.8 | 150.5 | 122.6 | -78.3 | -105.9 | 0 | 0 | 0 | 117.1 | | |
| 368 | C | 36.5 | Very low | 38.8 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | | | cis | 177.5 | -168.5 | -3.5 | -123 | 0 | 0 | 0 | 0 | 107.8 | | |
| 369 | P | 47.2 | Very low | 39 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | | | cis | -126.6 | -124.4 | -21.8 | 37.1 | -12.7 | 0 | 0 | 0 | 111.9 | | |
| 370 | P | 48.8 | Very low | 38.9 | Very low | 103 Ų | 103 | 127 Ų | 127 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | | | trans | -133 | -154.5 | -143 | 36.6 | -8.2 | 0 | 0 | 0 | 116 | | |
| 371 | E | 30.5 | Very low | 39.2 | Very low | 184 Ų | 184 | 127.2 Ų | 127.2 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | 77.2 | 109.3 | 162.1 | -67.3 | 178.1 | 93.8 | 0 | 0 | 120.9 | | |
| 372 | S | 38.9 | Very low | 39.2 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | | -159.4 | 139.2 | 122.2 | 59.6 | 0 | 0 | 0 | 0 | 111 | | |
| 373 | Q | 40.8 | Very low | 38.5 | Very low | 175 Ų | 175 | 129.2 Ų | 129.2 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -100.2 | 177.4 | 172.1 | -81.9 | -169.4 | -73.7 | 0 | 0 | 111.3 | | |
| 374 | D | 36.1 | Very low | 39.2 | Very low | 161 Ų | 161 | 131 Ų | 131 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | | | trans | 76 | 146.8 | 159.4 | -56.3 | -38.5 | 0 | 0 | 0 | 119.4 | | |
| 375 | G | 34.2 | Very low | 39.5 | Very low | 81 Ų | 81 | 133.5 Ų | 133.5 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | | | trans | 136.4 | 86.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 376 | S | 33.2 | Very low | 39.6 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -98.9 | -178.6 | 169 | -134.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 377 | P | 56 | Low | 39.3 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | | -124.8 | -160.6 | -122.9 | 33.1 | -10.4 | 0 | 0 | 0 | 114.7 | | |
| 378 | C | 30.4 | Very low | 39.7 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | 101.1 | 162.2 | 158.4 | -60.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 379 | S | 38.4 | Very low | 40 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | 94.1 | 137.6 | -178.8 | -69.2 | 0 | 0 | 0 | 0 | 117 | | |
| 380 | T | 37.3 | Very low | 39.4 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | cis | -162.8 | 165.3 | -10.9 | -93.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 381 | E | 40.9 | Very low | 39.3 | Very low | 178 Ų | 178 | 141.7 Ų | 141.7 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | 94.9 | 124.3 | 173.6 | 102.9 | -171.2 | 175 | 0 | 0 | 114.8 | | |
| 382 | D | 41.7 | Very low | 39.8 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | cis | 69.4 | 125.5 | -3.2 | -142.9 | 40.5 | 0 | 0 | 0 | 116.5 | | |
| 383 | L | 42.4 | Very low | 39.8 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 63% | 0.628 | 77% | 0.773 | S | S | * | * | | | cis | -124.6 | 166.5 | 16.4 | -71.4 | 157.4 | 0 | 0 | 0 | 110.1 | Y385 | L383-Y385 HydrophobicContact CD2-CE2 4.27Š|
| 384 | L | 46.5 | Very low | 40.1 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | | | cis | -154.6 | 163.7 | 49.6 | -83.4 | 165.8 | 0 | 0 | 0 | 112.6 | | |
| 385 | Y | 35.4 | Very low | 40.5 | Very low | 182 Ų | 182 | 130.4 Ų | 130.4 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | | | trans | -81.1 | 138.2 | -180 | -60.3 | -97.6 | 0 | 0 | 0 | 113.5 | L383 | L383-Y385 HydrophobicContact CD2-CE2 4.27Š|
| 386 | D | 39.2 | Very low | 41 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | | | | -130.4 | 148.7 | 110.9 | -166.8 | 14 | 0 | 0 | 0 | 109.2 | | |
| 387 | R | 38.8 | Very low | 41.8 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | | | trans | -146.7 | 69.8 | -169.6 | -177.7 | -146.2 | 57.8 | -155.9 | -14 | 109.8 | K389 | R387-K389 HydrophobicContact CG-CG 4.1Š|
| 388 | D | 39.7 | Very low | 41.6 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | | | trans | -74.9 | 143.3 | 150.7 | -154.9 | -73.1 | 0 | 0 | 0 | 109.5 | | |
| 389 | K | 42.8 | Very low | 43 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 64% | 0.635 | 76% | 0.764 | S | S | * | * | | | trans | -135 | 38 | -146.3 | -136.1 | -58.6 | -177.9 | -173.2 | 0 | 114.8 | R387 | R387-K389 HydrophobicContact CG-CG 4.1Š|
| 390 | D | 36.4 | Very low | 43.8 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | | | trans | -84.3 | 137.6 | 169.5 | -97.4 | -39 | 0 | 0 | 0 | 113.6 | | |
| 391 | S | 45.6 | Very low | 44.6 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -98.6 | 115.3 | -166.8 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 392 | G | 40.3 | Very low | 45.2 | Very low | 68 Ų | 68 | 137.7 Ų | 137.7 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | trans | -129.7 | 12.3 | -161.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 393 | S | 39.6 | Very low | 45.7 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | | | trans | 66.6 | 146.2 | 178.5 | 79.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 394 | S | 46.7 | Very low | 46.4 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -102.1 | 119.9 | 175.8 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 395 | S | 44.9 | Very low | 47.2 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | | | trans | -170.4 | 147.2 | 148.1 | 50 | 0 | 0 | 0 | 0 | 111.2 | L397 | S395-L397 PolarHBondContact O-N 2.86Š|
| 396 | P | 45.9 | Very low | 48.4 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | trans | -76.1 | 111.3 | 177.8 | 29.6 | -33 | 0 | 0 | 0 | 111 | | |
| 397 | L | 48.8 | Very low | 49.2 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | -58.7 | 131.2 | 172.5 | -83.9 | 162.7 | 0 | 0 | 0 | 111.4 | S395 K399 | S395-L397 PolarHBondContact O-N 2.86Å; L397-K399 PolarHBondContact O-N 2.89Å |
| 398 | P | 52.6 | Low | 50 | Low | 107 Ų | 107 | 130.9 Ų | 130.9 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | trans | -59.2 | 122 | 172.6 | -24.5 | 34.5 | 0 | 0 | 0 | 111.2 | Y400 | P398-Y400 PolarHBondContact O-N 3.49Š|
| 399 | K | 58.5 | Low | 51.1 | Low | 189 Ų | 189 | 129 Ų | 129 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -69.3 | 12.4 | -171.6 | -64.8 | -174.4 | 177.9 | 178.7 | 0 | 115.7 | L397 | L397-K399 PolarHBondContact O-N 2.89Š|
| 400 | Y | 55.8 | Low | 52.1 | Low | 216 Ų | 216 | 129.8 Ų | 129.8 | 85% | 0.847 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -136 | 46.5 | -170.9 | -60.1 | -72.9 | 0 | 0 | 0 | 113.3 | P398 | P398-Y400 PolarHBondContact O-N 3.49Š|
| 401 | A | 54.5 | Low | 53.4 | Low | 90 Ų | 90 | 129.4 Ų | 129.4 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | | | trans | -138.4 | 27.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 402 | S | 52.2 | Low | 54.1 | Low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | trans | -116.4 | 96.2 | 172.2 | 58.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 403 | S | 52.2 | Low | 55.4 | Low | 114 Ų | 114 | 137.3 Ų | 137.3 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 132.3 | 171.9 | -58.5 | 0 | 0 | 0 | 0 | 110.1 | K405 | S403-K405 PolarHBondContact O-N 3.29Š|
| 404 | P | 59.1 | Low | 56.8 | Low | 82 Ų | 82 | 142.3 Ų | 142.3 | 53% | 0.532 | 76% | 0.762 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 130.9 | 178.1 | 22.6 | -31.8 | 0 | 0 | 0 | 109.7 | | |
| 405 | K | 62.3 | Low | 58 | Low | 172 Ų | 172 | 144.6 Ų | 144.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 143.1 | 175.8 | -73.5 | 165.9 | 179 | 167.8 | 0 | 108.4 | S403 N407 N408 | S403-K405 PolarHBondContact O-N 3.29Å; K405-N407 PolarHBondContact O-N 2.85Å; K405-N408 PolarHBondContact O-N 3.39Å |
| 406 | P | 59.9 | Low | 59.6 | Low | 146 Ų | 146 | 144.1 Ų | 144.1 | 95% | 0.948 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 1.9 | -166.5 | 25.4 | -36 | 0 | 0 | 0 | 116 | | |
| 407 | N | 57.3 | Low | 61.1 | Low | 165 Ų | 165 | 142.7 Ų | 142.7 | 88% | 0.882 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.6 | 34.4 | 171.9 | -160.5 | 7.4 | 0 | 0 | 0 | 111.9 | K405 | K405-N407 PolarHBondContact O-N 2.85Š|
| 408 | N | 54.5 | Low | 62.4 | Low | 114 Ų | 114 | 145 Ų | 145 | 61% | 0.61 | 75% | 0.751 | S | S | * | * | | | trans | -148.1 | 83 | 167 | -164.7 | -28.8 | 0 | 0 | 0 | 109.4 | K405 Y410 | K405-N408 PolarHBondContact O-N 3.39Å; N408-Y410 VanDerWaalsContact C-N 3.27Å; N408-Y410 PolarHBondContact O-N 2.92Å |
| 409 | S | 63.2 | Low | 63 | Low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | trans | -74.4 | 78.7 | 177.8 | 57.8 | 0 | 0 | 0 | 0 | 110.5 | M411 | S409-M411 VanDerWaalsContact C-N 3.34Å; S409-M411 PolarHBondContact O-N 3.43Å |
| 410 | Y | 63.3 | Low | 63.3 | Low | 162 Ų | 162 | 138.4 Ų | 138.4 | 64% | 0.635 | 74% | 0.742 | S | S | * | * | | | trans | -60.2 | 100.5 | 164.9 | -175.9 | -98.3 | 0 | 0 | 0 | 108.1 | N408 F412 | N408-Y410 VanDerWaalsContact C-N 3.27Å; N408-Y410 PolarHBondContact O-N 2.92Å; Y410-F412 HydrophobicContact CD1-CD2 4.09Å; Y410-F412 HydrophobicContact CD1-CE2 4.18Å; Y410-F412 HydrophobicContact CD1-CG 4.37Å; Y410-F412 HydrophobicContact CE1-CD1 4.44Å; Y410-F412 HydrophobicContact CE1-CG 4.46Å; Y410-F412 PolarHBondContact O-N 3.49Å |
| 411 | M | 64.5 | Low | 64.3 | Low | 150 Ų | 150 | 135.9 Ų | 135.9 | 74% | 0.739 | 74% | 0.738 | S | S | * | * | | | trans | -63.6 | 107.3 | 171.7 | -68.9 | -165.3 | -65.8 | 0 | 0 | 107.1 | S409 K413 | S409-M411 VanDerWaalsContact C-N 3.34Å; S409-M411 PolarHBondContact O-N 3.43Å; M411-K413 PolarHBondContact O-N 3.08Å |
| 412 | F | 60.7 | Low | 64.9 | Low | 150 Ų | 150 | 143.1 Ų | 143.1 | 66% | 0.658 | 75% | 0.746 | S | S | * | * | | | trans | -59.7 | 92.7 | 162.6 | -83.3 | -92 | 0 | 0 | 0 | 107.6 | Y410 R414 | Y410-F412 HydrophobicContact CD1-CD2 4.09Å; Y410-F412 HydrophobicContact CD1-CE2 4.18Å; Y410-F412 HydrophobicContact CD1-CG 4.37Å; Y410-F412 HydrophobicContact CE1-CD1 4.44Å; Y410-F412 HydrophobicContact CE1-CG 4.46Å; Y410-F412 PolarHBondContact O-N 3.49Å; F412-R414 HydrophobicContact CB-CG 4.46Å; F412-R414 PolarHBondContact O-N 3.09Å |
| 413 | K | 66.4 | Low | 65.5 | Low | 189 Ų | 189 | 143.5 Ų | 143.5 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | | | trans | -62.7 | 87.9 | 156.3 | -71.9 | -165 | 180 | -172.1 | 0 | 105.6 | M411 E415 | M411-K413 PolarHBondContact O-N 3.08Å; K413-E415 PolarHBondContact O-N 2.87Å |
| 414 | R | 69.6 | Low | 66.1 | Low | 228 Ų | 228 | 145.1 Ų | 145.1 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | | | trans | -61.8 | 111.1 | 165.4 | -56 | -174.4 | 79.8 | 149.9 | 4.3 | 104.4 | F412 | F412-R414 HydrophobicContact CB-CG 4.46Å; F412-R414 PolarHBondContact O-N 3.09Å |
| 415 | E | 72.1 | Confident | 66 | Low | 166 Ų | 166 | 147.5 Ų | 147.5 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 138 | 162.5 | -171.4 | 162.3 | -155.3 | 0 | 0 | 107.7 | K413 | K413-E415 PolarHBondContact O-N 2.87Š|
| 416 | P | 77.4 | Confident | 65.1 | Low | 88 Ų | 88 | 147.4 Ų | 147.4 | 57% | 0.571 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 132.7 | 172.1 | -25.3 | 35.3 | 0 | 0 | 0 | 108.7 | E418 C420 | P416-E418 PolarHBondContact O-N 2.93Å; P416-C420 HydrophobicContact CB-CB 3.57Å |
| 417 | P | 78.1 | Confident | 64.9 | Low | 96 Ų | 96 | 148.1 Ų | 148.1 | 62% | 0.623 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 139 | -178.3 | -29.3 | 34.8 | 0 | 0 | 0 | 111.8 | G419 C420 | P417-G419 PolarHBondContact O-N 3.2Å; P417-G419 VanDerWaalsContact O-N 3.16Å; P417-C420 VanDerWaalsContact O-CB 3.31Å; P417-C420 WeakPolarHBondContact O-CB 3.35Å; P417-C420 PolarHBondContact O-N 2.9Å |
| 418 | E | 76.4 | Confident | 64.6 | Low | 206 Ų | 206 | 147.2 Ų | 147.2 | 96% | 0.963 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | 124.4 | 176 | -66.2 | -178.1 | 124.7 | 0 | 0 | 109.4 | P416 | P416-E418 PolarHBondContact O-N 2.93Š|
| 419 | G | 64.8 | Low | 64.2 | Low | 75 Ų | 75 | 149.4 Ų | 149.4 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107.4 | -11.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115 | P417 E421 | P417-G419 PolarHBondContact O-N 3.2Å; P417-G419 VanDerWaalsContact O-N 3.16Å; G419-E421 PolarHBondContact O-N 3.26Å |
| 420 | C | 64.4 | Low | 63.4 | Low | 82 Ų | 82 | 149.4 Ų | 149.4 | 55% | 0.554 | 75% | 0.745 | S | S | * | * | | | trans | -76.2 | 48.1 | 166 | -74.3 | 0 | 0 | 0 | 0 | 112.3 | P416 P417 | P416-C420 HydrophobicContact CB-CB 3.57Å; P417-C420 VanDerWaalsContact O-CB 3.31Å; P417-C420 WeakPolarHBondContact O-CB 3.35Å; P417-C420 PolarHBondContact O-N 2.9Å |
| 421 | E | 76.5 | Confident | 62.8 | Low | 164 Ų | 164 | 145.9 Ų | 145.9 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | | | trans | -65.1 | 143 | 172.9 | 62.7 | 176.6 | -173.3 | 0 | 0 | 111.1 | G419 V423 | G419-E421 PolarHBondContact O-N 3.26Å; E421-V423 PolarHBondContact O-N 3.01Å; E421-V423 VanDerWaalsContact O-N 3.1Å |
| 422 | R | 68.6 | Low | 61.7 | Low | 241 Ų | 241 | 149.6 Ų | 149.6 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | | | trans | -75.8 | 101.2 | 173.9 | -71 | 172.7 | 59.2 | -161.5 | -3 | 107.8 | K424 | R422-K424 PolarHBondContact O-N 3.44Š|
| 423 | V | 64.9 | Low | 60.7 | Low | 115 Ų | 115 | 150.5 Ų | 150.5 | 70% | 0.697 | 76% | 0.757 | S | S | * | * | | | trans | -44.7 | 110.4 | 172.8 | 179.7 | 0 | 0 | 0 | 0 | 109 | E421 V425 | E421-V423 PolarHBondContact O-N 3.01Å; E421-V423 VanDerWaalsContact O-N 3.1Å; V423-V425 PolarHBondContact O-N 3.43Å |
| 424 | K | 64.1 | Low | 59.6 | Low | 148 Ų | 148 | 147.5 Ų | 147.5 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | | | trans | -70.4 | 99.7 | 177.9 | -172.5 | -174.9 | 176.6 | -166.1 | 0 | 106.8 | R422 F426 E427 | R422-K424 PolarHBondContact O-N 3.44Å; K424-F426 PolarHBondContact O-N 2.83Å; K424-E427 IonicContact NZ-OE2 2.66Å; K424-E427 PolarHBondContact NZ-OE2 2.83Å |
| 425 | V | 56.2 | Low | 58.5 | Low | 132 Ų | 132 | 143.9 Ų | 143.9 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | | | trans | -50.5 | 127.6 | 172.1 | 178.3 | 0 | 0 | 0 | 0 | 107.8 | V423 E427 | V423-V425 PolarHBondContact O-N 3.43Å; V425-E427 PolarHBondContact O-N 3.26Å |
| 426 | F | 44.8 | Very low | 57.9 | Low | 170 Ų | 170 | 141.4 Ų | 141.4 | 75% | 0.746 | 75% | 0.754 | S | S | * | * | | | trans | -63.8 | 129.8 | -160.7 | -78.7 | -107.1 | 0 | 0 | 0 | 111.8 | K424 E428 | K424-F426 PolarHBondContact O-N 2.83Å; F426-E428 HydrophobicContact CB-CB 4.34Å; F426-E428 PolarHBondContact O-N 3.37Å |
| 427 | E | 56.1 | Low | 56.3 | Low | 161 Ų | 161 | 141.5 Ų | 141.5 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | trans | -82.2 | 62.5 | 173.4 | -169.1 | 175.5 | 173.2 | 0 | 0 | 108.9 | K424 V425 | K424-E427 IonicContact NZ-OE2 2.66Å; K424-E427 PolarHBondContact NZ-OE2 2.83Å; V425-E427 PolarHBondContact O-N 3.26Å |
| 428 | E | 50.7 | Low | 54.9 | Low | 147 Ų | 147 | 142.7 Ų | 142.7 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | | | trans | -116.6 | 76.9 | -174.5 | -168.1 | -173.6 | 159.6 | 0 | 0 | 110.9 | F426 | F426-E428 HydrophobicContact CB-CB 4.34Å; F426-E428 PolarHBondContact O-N 3.37Å |
| 429 | M | 44.8 | Very low | 53.7 | Low | 159 Ų | 159 | 140.6 Ų | 140.6 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | | | trans | -170.1 | 89.5 | 133.7 | -138.5 | 61.9 | 73 | 0 | 0 | 111.2 | | |
| 430 | A | 47.9 | Very low | 53 | Low | 108 Ų | 108 | 146.8 Ų | 146.8 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | | | trans | -106.3 | 51.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 431 | S | 48.9 | Very low | 52.3 | Low | 89 Ų | 89 | 147.6 Ų | 147.6 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | | | trans | -166 | 159.3 | 157 | 63.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 432 | R | 42.2 | Very low | 51.2 | Low | 228 Ų | 228 | 145.5 Ų | 145.5 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 79.7 | 93.5 | 168.9 | -55 | -177.8 | -177 | -82.4 | -5.1 | 118.1 | | |
| 433 | Q | 39.3 | Very low | 51 | Low | 168 Ų | 168 | 138.3 Ų | 138.3 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | 49.9 | 123.2 | 141.5 | -59.2 | -60.9 | -12.7 | 0 | 0 | 120.4 | I435 | Q433-I435 PolarHBondContact O-N 2.79Š|
| 434 | P | 43.6 | Very low | 50.6 | Low | 127 Ų | 127 | 136.7 Ų | 136.7 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | | | trans | -80 | 106.6 | 177.7 | 32.9 | -33.2 | 0 | 0 | 0 | 112.1 | | |
| 435 | I | 47.2 | Very low | 50.6 | Low | 151 Ų | 151 | 138.3 Ų | 138.3 | 77% | 0.774 | 76% | 0.758 | S | S | * | * | | | trans | -122 | 114.3 | 166.5 | -61.8 | -178.9 | 0 | 0 | 0 | 109 | Q433 | Q433-I435 PolarHBondContact O-N 2.79Š|
| 436 | S | 58.5 | Low | 51 | Low | 115 Ų | 115 | 138.8 Ų | 138.8 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | 5.8 | 104.1 | 172.8 | 59.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 437 | A | 43.3 | Very low | 52 | Low | 89 Ų | 89 | 139.1 Ų | 139.1 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | | | trans | -99.2 | 148.3 | 147.6 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 438 | P | 49.4 | Very low | 52.3 | Low | 121 Ų | 121 | 134.3 Ų | 134.3 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | | | trans | -69.9 | 136.4 | -170 | 27.3 | -34.8 | 0 | 0 | 0 | 112.8 | F440 | P438-F440 PolarHBondContact O-N 3.03Å; P438-F440 VanDerWaalsContact O-N 3.1Å |
| 439 | L | 52.3 | Low | 52.5 | Low | 162 Ų | 162 | 134.8 Ų | 134.8 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | | | trans | -64.5 | 108.8 | 170.3 | -69.2 | 171 | 0 | 0 | 0 | 109.6 | S441 | L439-S441 VanDerWaalsContact C-N 3.27Å; L439-S441 PolarHBondContact O-N 3.45Å |
| 440 | F | 49.5 | Very low | 53.2 | Low | 205 Ų | 205 | 134.9 Ų | 134.9 | 90% | 0.899 | 74% | 0.742 | S | S | * | * | | | trans | -75.8 | 85.6 | 167.9 | -133.3 | -82.1 | 0 | 0 | 0 | 108.4 | P438 C442 | P438-F440 PolarHBondContact O-N 3.03Å; P438-F440 VanDerWaalsContact O-N 3.1Å; F440-C442 PolarHBondContact O-N 3.47Å |
| 441 | S | 50.4 | Low | 53.5 | Low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | | | trans | -60.9 | 96 | -171.6 | -60.4 | 0 | 0 | 0 | 0 | 112.6 | L439 P443 | L439-S441 VanDerWaalsContact C-N 3.27Å; L439-S441 PolarHBondContact O-N 3.45Å; S441-P443 WeakPolarHBondContact O-CD 3.39Å |
| 442 | C | 53.1 | Low | 53.9 | Low | 120 Ų | 120 | 137.9 Ų | 137.9 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | | | trans | -57.3 | 122.9 | 162.9 | -61.1 | 0 | 0 | 0 | 0 | 108.6 | F440 | F440-C442 PolarHBondContact O-N 3.47Š|
| 443 | P | 63.1 | Low | 54.6 | Low | 89 Ų | 89 | 133.3 Ų | 133.3 | 58% | 0.578 | 74% | 0.739 | S | S | * | * | | | trans | -60.4 | 143.4 | -177.9 | -24.7 | 34.4 | 0 | 0 | 0 | 112.2 | S441 K445 V448 | S441-P443 WeakPolarHBondContact O-CD 3.39Å; P443-K445 PolarHBondContact O-N 2.87Å; P443-K445 VanDerWaalsContact O-N 3.1Å; P443-V448 HydrophobicContact CB-CG2 3.72Å |
| 444 | D | 58.1 | Low | 55.5 | Low | 82 Ų | 82 | 128.3 Ų | 128.3 | 44% | 0.439 | 73% | 0.732 | S | S | . | * | | | trans | -59.9 | 115.7 | 176.4 | 176.3 | 10.8 | 0 | 0 | 0 | 110.4 | N446 K447 V448 | D444-N446 PolarHBondContact O-N 2.95Å; D444-N446 VanDerWaalsContact O-N 3.12Å; D444-N446 PolarHBondContact OD1-N 3.32Å; D444-K447 HydrophobicContact CB-CB 4.28Å; D444-K447 PolarHBondContact O-N 3.02Å; D444-K447 WeakPolarHBondContact OD2-CG 3.28Å; D444-V448 PolarHBondContact O-N 3.02Å |
| 445 | K | 63.6 | Low | 56.3 | Low | 182 Ų | 182 | 126.1 Ų | 126.1 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -20.1 | 178.7 | 65.2 | -170.9 | 178.6 | -174.9 | 0 | 113.7 | P443 | P443-K445 PolarHBondContact O-N 2.87Å; P443-K445 VanDerWaalsContact O-N 3.1Å |
| 446 | N | 63.7 | Low | 56.9 | Low | 142 Ų | 142 | 123.8 Ų | 123.8 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 0.8 | 174.3 | -76.5 | 19.2 | 0 | 0 | 0 | 113.5 | D444 | D444-N446 PolarHBondContact O-N 2.95Å; D444-N446 VanDerWaalsContact O-N 3.12Å; D444-N446 PolarHBondContact OD1-N 3.32Å |
| 447 | K | 65.5 | Low | 56.7 | Low | 177 Ų | 177 | 127.3 Ų | 127.3 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | -4.3 | -179.8 | -70.3 | -169.7 | 178.3 | -170 | 0 | 115.6 | D444 | D444-K447 HydrophobicContact CB-CB 4.28Å; D444-K447 PolarHBondContact O-N 3.02Å; D444-K447 WeakPolarHBondContact OD2-CG 3.28Å |
| 448 | V | 62.8 | Low | 57.2 | Low | 60 Ų | 60 | 127.6 Ų | 127.6 | 36% | 0.364 | 72% | 0.72 | S | S | . | * | | | trans | -117.6 | 104.8 | 176.7 | -174.2 | 0 | 0 | 0 | 0 | 110.7 | P443 D444 F450 | P443-V448 HydrophobicContact CB-CG2 3.72Å; D444-V448 PolarHBondContact O-N 3.02Å; V448-F450 HydrophobicContact CB-CD2 4.14Å; V448-F450 HydrophobicContact CB-CE2 3.8Å; V448-F450 HydrophobicContact CB-CZ 4.49Å; V448-F450 HydrophobicContact CG1-CD2 3.76Å; V448-F450 HydrophobicContact CG1-CE1 4.37Å; V448-F450 HydrophobicContact CG1-CE2 3.5Å; V448-F450 HydrophobicContact CG1-CG 4.31Å; V448-F450 HydrophobicContact CG1-CZ 3.83Å; V448-F450 WeakPolarHBondContact O-CD2 3.21Å; V448-F450 PolarHBondContact O-N 3.23Å |
| 449 | N | 55.8 | Low | 57.1 | Low | 156 Ų | 156 | 127.2 Ų | 127.2 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | | | trans | -71.2 | 89.8 | 169.6 | -74.9 | -53.3 | 0 | 0 | 0 | 109.8 | I451 | N449-I451 PolarHBondContact O-N 2.6Å; N449-I451 VanDerWaalsContact O-N 3.08Å |
| 450 | F | 58.6 | Low | 57.3 | Low | 162 Ų | 162 | 125.4 Ų | 125.4 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | | | trans | -69.7 | 100.2 | 170.1 | -76.1 | -85.4 | 0 | 0 | 0 | 110.1 | V448 P452 | V448-F450 HydrophobicContact CB-CD2 4.14Å; V448-F450 HydrophobicContact CB-CE2 3.8Å; V448-F450 HydrophobicContact CB-CZ 4.49Å; V448-F450 HydrophobicContact CG1-CD2 3.76Å; V448-F450 HydrophobicContact CG1-CE1 4.37Å; V448-F450 HydrophobicContact CG1-CE2 3.5Å; V448-F450 HydrophobicContact CG1-CG 4.31Å; V448-F450 HydrophobicContact CG1-CZ 3.83Å; V448-F450 WeakPolarHBondContact O-CD2 3.21Å; V448-F450 PolarHBondContact O-N 3.23Å; F450-P452 WeakPolarHBondContact O-CD 3.45Å |
| 451 | I | 54.8 | Low | 57.6 | Low | 137 Ų | 137 | 125.2 Ų | 125.2 | 70% | 0.703 | 71% | 0.712 | S | S | * | * | | | trans | -87.9 | 110.8 | 164.4 | -47.4 | 176.3 | 0 | 0 | 0 | 106.7 | N449 T453 | N449-I451 PolarHBondContact O-N 2.6Å; N449-I451 VanDerWaalsContact O-N 3.08Å; I451-T453 VanDerWaalsContact CG2-OG1 3.26Å; I451-T453 WeakPolarHBondContact CG2-OG1 3.45Å; I451-T453 PolarHBondContact O-N 2.9Å |
| 452 | P | 56.8 | Low | 57.6 | Low | 123 Ų | 123 | 127.9 Ų | 127.9 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | | | trans | -81.5 | 59.7 | -172.3 | 34.3 | -36.7 | 0 | 0 | 0 | 111.9 | F450 G454 | F450-P452 WeakPolarHBondContact O-CD 3.45Å; P452-G454 VanDerWaalsContact C-N 3.28Å; P452-G454 PolarHBondContact O-N 3.17Å |
| 453 | T | 57.4 | Low | 57.6 | Low | 131 Ų | 131 | 130.6 Ų | 130.6 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | | | trans | -80.2 | 67.6 | -172.3 | -38.7 | 0 | 0 | 0 | 0 | 112.7 | I451 | I451-T453 VanDerWaalsContact CG2-OG1 3.26Å; I451-T453 WeakPolarHBondContact CG2-OG1 3.45Å; I451-T453 PolarHBondContact O-N 2.9Å |
| 454 | G | 58.3 | Low | 57.2 | Low | 63 Ų | 63 | 128.8 Ų | 128.8 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 128 | 168.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | P452 | P452-G454 VanDerWaalsContact C-N 3.28Å; P452-G454 PolarHBondContact O-N 3.17Å |
| 455 | S | 59.4 | Low | 56.4 | Low | 82 Ų | 82 | 130.9 Ų | 130.9 | 57% | 0.573 | 74% | 0.739 | S | S | * | * | | | trans | -60.4 | 144.7 | -177.3 | 177.9 | 0 | 0 | 0 | 0 | 113.1 | F457 C458 | S455-F457 PolarHBondContact O-N 2.8Å; S455-F457 PolarHBondContact OG-N 3.32Å; S455-C458 WeakPolarHBondContact O-CB 3.47Å; S455-C458 PolarHBondContact O-N 2.77Å |
| 456 | A | 60.7 | Low | 55.6 | Low | 101 Ų | 101 | 130 Ų | 130 | 84% | 0.835 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -3.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 457 | F | 54.8 | Low | 54.9 | Low | 189 Ų | 189 | 130.3 Ų | 130.3 | 83% | 0.829 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | 15.3 | 174.3 | -59.8 | -76.7 | 0 | 0 | 0 | 113.6 | S455 P459 | S455-F457 PolarHBondContact O-N 2.8Å; S455-F457 PolarHBondContact OG-N 3.32Å; F457-P459 WeakPolarHBondContact O-CD 3.5Å |
| 458 | C | 54 | Low | 53.9 | Low | 95 Ų | 95 | 127.8 Ų | 127.8 | 64% | 0.642 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -68 | 118.5 | 166.3 | -167.3 | 0 | 0 | 0 | 0 | 109.1 | S455 V460 | S455-C458 WeakPolarHBondContact O-CB 3.47Å; S455-C458 PolarHBondContact O-N 2.77Å; C458-V460 PolarHBondContact O-N 2.93Å; C458-V460 VanDerWaalsContact O-N 3.13Å |
| 459 | P | 47.2 | Very low | 52.7 | Low | 113 Ų | 113 | 129.6 Ų | 129.6 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | trans | -67.9 | 115.7 | -177.3 | 26.7 | -33.3 | 0 | 0 | 0 | 110.2 | F457 K461 | F457-P459 WeakPolarHBondContact O-CD 3.5Å; P459-K461 PolarHBondContact O-N 2.83Å; P459-K461 VanDerWaalsContact O-N 3.07Å |
| 460 | V | 55.1 | Low | 51.8 | Low | 124 Ų | 124 | 127.6 Ų | 127.6 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | trans | -58.8 | 114.6 | 175.5 | 176.8 | 0 | 0 | 0 | 0 | 108.8 | C458 L462 | C458-V460 PolarHBondContact O-N 2.93Å; C458-V460 VanDerWaalsContact O-N 3.13Å; V460-L462 VanDerWaalsContact C-N 3.33Å; V460-L462 HydrophobicContact CG1-CD2 4.35Å; V460-L462 PolarHBondContact O-N 3.29Å |
| 461 | K | 56.6 | Low | 50.8 | Low | 201 Ų | 201 | 127.3 Ų | 127.3 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | | | trans | -68.5 | 94 | 169.3 | -70 | -177.3 | 178.3 | -179.7 | 0 | 108.1 | P459 L463 | P459-K461 PolarHBondContact O-N 2.83Å; P459-K461 VanDerWaalsContact O-N 3.07Å; K461-L463 PolarHBondContact O-N 2.9Å; K461-L463 VanDerWaalsContact O-N 3.17Å |
| 462 | L | 50.8 | Low | 50.4 | Low | 157 Ų | 157 | 128.7 Ų | 128.7 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 118.6 | 169.7 | -65.6 | 176.2 | 0 | 0 | 0 | 108.4 | V460 | V460-L462 VanDerWaalsContact C-N 3.33Å; V460-L462 HydrophobicContact CG1-CD2 4.35Å; V460-L462 PolarHBondContact O-N 3.29Å |
| 463 | L | 52.5 | Low | 49.8 | Very low | 176 Ų | 176 | 131 Ų | 131 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 143.2 | 168.6 | -168.1 | 62.3 | 0 | 0 | 0 | 108.1 | K461 | K461-L463 PolarHBondContact O-N 2.9Å; K461-L463 VanDerWaalsContact O-N 3.17Å |
| 464 | G | 54.5 | Low | 49 | Very low | 52 Ų | 52 | 133.1 Ų | 133.1 | 54% | 0.536 | 79% | 0.786 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 160.2 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115 | L466 | G464-L466 PolarHBondContact O-N 2.83Å; G464-L466 VanDerWaalsContact O-N 3.12Å |
| 465 | P | 42 | Very low | 48.1 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 117.5 | -177.9 | 25.2 | -34.2 | 0 | 0 | 0 | 111.1 | L467 | P465-L467 PolarHBondContact O-N 3.46Š|
| 466 | L | 47 | Very low | 46.8 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | trans | -78.9 | 99 | -179.4 | -162.8 | 154.6 | 0 | 0 | 0 | 108.8 | G464 | G464-L466 PolarHBondContact O-N 2.83Å; G464-L466 VanDerWaalsContact O-N 3.12Å |
| 467 | L | 48.3 | Very low | 45.5 | Very low | 149 Ų | 149 | 143 Ų | 143 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | | | trans | -75.6 | 130.7 | 173.6 | -65.6 | -179.8 | 0 | 0 | 0 | 109.9 | P465 A469 | P465-L467 PolarHBondContact O-N 3.46Å; L467-A469 PolarHBondContact O-N 2.66Å |
| 468 | P | 44.5 | Very low | 44.9 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | | | trans | -75.4 | 115.4 | 172 | 28.1 | -28.4 | 0 | 0 | 0 | 109.7 | | |
| 469 | A | 37.6 | Very low | 43.8 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | -111.2 | 131.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | L467 | L467-A469 PolarHBondContact O-N 2.66Š|
| 470 | S | 36.9 | Very low | 43.2 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | trans | -67.5 | 151.7 | -165.1 | -49.7 | 0 | 0 | 0 | 0 | 114.7 | L472 | S470-L472 PolarHBondContact O-N 3.27Š|
| 471 | D | 38.3 | Very low | 42.1 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | | | trans | -52.2 | 120.3 | 158 | -96.6 | -55.7 | 0 | 0 | 0 | 110.8 | | |
| 472 | L | 45.5 | Very low | 41.1 | Very low | 166 Ų | 166 | 139.7 Ų | 139.7 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | | | trans | -134.8 | 108.1 | 155.2 | -79.9 | -178.8 | 0 | 0 | 0 | 108.9 | S470 L474 | S470-L472 PolarHBondContact O-N 3.27Å; L472-L474 PolarHBondContact O-N 3.21Å |
| 473 | M | 44.3 | Very low | 40.2 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | | | trans | -64.4 | 120.6 | -178.1 | -61.5 | -160.9 | 78.2 | 0 | 0 | 112.1 | | |
| 474 | L | 40.3 | Very low | 39.4 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 93% | 0.927 | 80% | 0.801 | S | S | * | * | | | trans | -135 | 113.9 | 150 | -76.6 | -177.9 | 0 | 0 | 0 | 110.9 | L472 | L472-L474 PolarHBondContact O-N 3.21Š|
| 475 | K | 40.2 | Very low | 38.5 | Very low | 188 Ų | 188 | 136.5 Ų | 136.5 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | | | trans | -73.2 | 129.5 | 179.5 | 160 | -172.8 | 172.1 | -176.4 | 0 | 111 | | |
| 476 | N | 32.4 | Very low | 38.2 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 83% | 0.829 | 82% | 0.819 | S | S | * | * | | | trans | -169.5 | 157.3 | 144.2 | -91.4 | -26.5 | 0 | 0 | 0 | 111.2 | | |
| 477 | S | 32.3 | Very low | 37.8 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | | | trans | -146.3 | 178.6 | -178.1 | -40.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 478 | P | 43.3 | Very low | 37.2 | Very low | 104 Ų | 104 | 133 Ų | 133 | 68% | 0.675 | 82% | 0.817 | S | S | * | * | | | cis | -136.2 | -162.9 | -5 | 41.2 | -22.2 | 0 | 0 | 0 | 114.1 | | |
| 479 | N | 29.5 | Very low | 36.8 | Very low | 152 Ų | 152 | 135 Ų | 135 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | | | trans | 85.6 | 142.8 | 153 | -69.4 | -2.1 | 0 | 0 | 0 | 122.4 | | |
| 480 | S | 35.1 | Very low | 37 | Very low | 131 Ų | 131 | 136 Ų | 136 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | | | trans | 67.9 | 142.5 | 170.1 | -141.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 481 | G | 31.8 | Very low | 37.2 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 82% | 0.823 | S | S | * | * | | | cis | -163.5 | 167.8 | 0.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 482 | Q | 35.2 | Very low | 37.3 | Very low | 198 Ų | 198 | 138.9 Ų | 138.9 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | | | trans | -68.9 | 139.9 | -172.5 | -60.5 | 168.6 | -8.1 | 0 | 0 | 113.5 | | |
| 483 | S | 32.8 | Very low | 37.3 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | | | | 153.2 | 145.4 | 113.7 | -169.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 484 | S | 35.3 | Very low | 36.9 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | | | trans | -62.6 | 144.6 | 161.4 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 485 | A | 35.2 | Very low | 36.7 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | trans | -148.5 | 128.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 486 | L | 37.4 | Very low | 36.3 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | | | trans | -89.3 | 132 | 174.7 | -64.3 | 168.8 | 0 | 0 | 0 | 109.6 | | |
| 487 | A | 36.9 | Very low | 36.4 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | | | trans | -149.2 | 120.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 488 | A | 35.5 | Very low | 36.3 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -82.5 | 130.9 | 167 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 489 | L | 37.3 | Very low | 35.6 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | | | trans | -108.1 | 132.1 | 169.5 | -66 | 178.6 | 0 | 0 | 0 | 109.4 | | |
| 490 | T | 42.4 | Very low | 35.8 | Very low | 118 Ų | 118 | 138 Ų | 138 | 72% | 0.724 | 82% | 0.816 | S | S | * | * | | | trans | -81.9 | 153.4 | -171.4 | 46.9 | 0 | 0 | 0 | 0 | 112.3 | E492 | T490-E492 PolarHBondContact O-N 3.26Š|
| 491 | V | 39.9 | Very low | 35.7 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 57.8 | -178 | -167 | 0 | 0 | 0 | 0 | 110.7 | | |
| 492 | E | 41.5 | Very low | 35.7 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | 3 | 179 | -148 | 178.2 | 139.9 | 0 | 0 | 113.2 | T490 | T490-E492 PolarHBondContact O-N 3.26Š|
| 493 | Q | 44.8 | Very low | 35.6 | Very low | 184 Ų | 184 | 139 Ų | 139 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -123.2 | 67.5 | 176.2 | -70.9 | -174 | -15.6 | 0 | 0 | 112.1 | | |
| 494 | L | 36.4 | Very low | 35.6 | Very low | 169 Ų | 169 | 139 Ų | 139 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | | | trans | -167.1 | 48.3 | 158.7 | -109.8 | 174.7 | 0 | 0 | 0 | 112.9 | | |
| 495 | S | 36.3 | Very low | 35.4 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | | | trans | -129.5 | 46 | 176.8 | -169.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 496 | S | 31.2 | Very low | 35.2 | Very low | 84 Ų | 84 | 143.8 Ų | 143.8 | 59% | 0.587 | 82% | 0.819 | S | S | * | * | | | trans | -143.7 | 145 | 153.1 | 67.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 497 | R | 35.4 | Very low | 35.2 | Very low | 218 Ų | 218 | 141.9 Ų | 141.9 | 82% | 0.823 | 82% | 0.815 | S | S | * | * | | | cis | -147.8 | 140.2 | 13.4 | 24 | -93.1 | 175 | 155.9 | -6.7 | 110.9 | | |
| 498 | V | 30 | Very low | 34.9 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | | | trans | -142.3 | 122.2 | 146.3 | -171.8 | 0 | 0 | 0 | 0 | 107.4 | F500 | V498-F500 HydrophobicContact CB-CE1 4.31Å; V498-F500 HydrophobicContact CG1-CD1 3.74Å; V498-F500 HydrophobicContact CG1-CE1 3.67Å |
| 499 | S | 28.5 | Very low | 34.8 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -108.3 | 135.2 | 168.7 | -58.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 500 | F | 34 | Very low | 34.8 | Very low | 184 Ų | 184 | 140.6 Ų | 140.6 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | | | trans | -119.6 | 132.9 | 165.5 | 9.6 | -89.2 | 0 | 0 | 0 | 108.7 | V498 | V498-F500 HydrophobicContact CB-CE1 4.31Å; V498-F500 HydrophobicContact CG1-CD1 3.74Å; V498-F500 HydrophobicContact CG1-CE1 3.67Å |
| 501 | T | 31.8 | Very low | 34.2 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 128.8 | -174.1 | 46.4 | 0 | 0 | 0 | 0 | 111.3 | L503 | T501-L503 PolarHBondContact O-N 3.22Š|
| 502 | S | 31.2 | Very low | 33.7 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70 | 125 | 166.7 | -162.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 503 | L | 33.9 | Very low | 33.3 | Very low | 163 Ų | 163 | 136 Ų | 136 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 134.4 | 165 | -84.9 | 160.8 | 0 | 0 | 0 | 108.8 | T501 | T501-L503 PolarHBondContact O-N 3.22Š|
| 504 | S | 33.3 | Very low | 32.7 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85 | 137.3 | 170 | -54.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 505 | D | 30.9 | Very low | 32.4 | Very low | 169 Ų | 169 | 131.1 Ų | 131.1 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | | | trans | -113.3 | 127 | 163 | -116.2 | -40 | 0 | 0 | 0 | 108.1 | | |
| 506 | D | 31 | Very low | 32.1 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -119.5 | 121.7 | -179.7 | -176.2 | -5.3 | 0 | 0 | 0 | 108.7 | | |
| 507 | T | 37.2 | Very low | 31.9 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | trans | -153.3 | 99.3 | 167 | -68.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 508 | S | 30.6 | Very low | 31.7 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | | | trans | -93.2 | 148 | 170.2 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 509 | T | 32.8 | Very low | 31.6 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | | | trans | -162.3 | 137.2 | 167.9 | -76.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 510 | A | 38.7 | Very low | 32.3 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | 66 | 134.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 511 | G | 28.3 | Very low | 32 | Very low | 75 Ų | 75 | 126.1 Ų | 126.1 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | cis | 91.5 | 125.2 | 5.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 512 | S | 30.8 | Very low | 32 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | cis | -158.7 | 175.7 | 2 | -167.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 513 | M | 33.3 | Very low | 32 | Very low | 162 Ų | 162 | 127.5 Ų | 127.5 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | | | trans | 69 | 148.1 | 167.5 | -59.4 | 171.2 | 71.3 | 0 | 0 | 117.4 | | |
| 514 | E | 30.7 | Very low | 31.9 | Very low | 168 Ų | 168 | 126 Ų | 126 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | cis | -161.8 | 165.6 | -31 | -148.1 | -172 | 126.6 | 0 | 0 | 109.6 | | |
| 515 | A | 30.1 | Very low | 31.9 | Very low | 84 Ų | 84 | 127.5 Ų | 127.5 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | | | trans | 41.6 | 119.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 516 | S | 29.9 | Very low | 31.8 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | | | | 179.2 | 171 | 91.1 | -160.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 517 | A | 28.5 | Very low | 31.9 | Very low | 77 Ų | 77 | 125.4 Ų | 125.4 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | | | trans | -78.3 | 156.9 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 518 | Q | 30.9 | Very low | 31.6 | Very low | 192 Ų | 192 | 127 Ų | 127 | 90% | 0.897 | 73% | 0.732 | S | S | * | * | | | | -172.9 | 155.7 | 95 | -117.7 | 152 | -97.9 | 0 | 0 | 115 | | |
| 519 | Q | 26.8 | Very low | 31.5 | Very low | 171 Ų | 171 | 130.5 Ų | 130.5 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | | | trans | -117.3 | -170.7 | 168.7 | -128.8 | -149.8 | -8.9 | 0 | 0 | 107.2 | | |
| 520 | P | 43.3 | Very low | 31.6 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 60% | 0.597 | 73% | 0.727 | S | S | * | * | | | cis | -134 | 162.3 | -8.6 | 41.7 | -22.7 | 0 | 0 | 0 | 115 | | |
| 521 | S | 28.3 | Very low | 31.2 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | | | | 83.4 | 167.8 | 108 | 69.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 522 | Q | 31.7 | Very low | 31.3 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | | | trans | 89.3 | 114.7 | 160.2 | -56.4 | -96.7 | 82.2 | 0 | 0 | 116 | | |
| 523 | Q | 30.6 | Very low | 31.2 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | | | | 81.9 | 151.4 | 89.2 | -75.7 | -169.3 | -18.5 | 0 | 0 | 113.7 | | |
| 524 | Q | 33.1 | Very low | 31.3 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 61% | 0.607 | 73% | 0.728 | S | S | * | * | | | cis | -163.8 | 155.1 | 3.3 | -125.2 | 170.3 | -10.2 | 0 | 0 | 110.6 | | |
| 525 | Q | 33.5 | Very low | 31.5 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | | | trans | 50.1 | 168.5 | 140.6 | -74.4 | 174.4 | -72.4 | 0 | 0 | 122.3 | | |
| 526 | L | 28.3 | Very low | 31.8 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | | | cis | -179.4 | 129.1 | -29.8 | 173.5 | 69.4 | 0 | 0 | 0 | 110.4 | | |
| 527 | L | 32.3 | Very low | 32 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | | | trans | 60.1 | 168.4 | 164.7 | -65.9 | 169.5 | 0 | 0 | 0 | 117.2 | | |
| 528 | Q | 31.7 | Very low | 32.4 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | | | cis | -162.8 | -166.3 | -34.9 | -177.2 | 148.9 | 65.7 | 0 | 0 | 108.1 | | |
| 529 | E | 27.9 | Very low | 32.7 | Very low | 172 Ų | 172 | 137.7 Ų | 137.7 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | | | trans | 72.6 | 149.6 | -178.6 | -96.4 | 161.7 | 67.3 | 0 | 0 | 115.3 | | |
| 530 | L | 34.3 | Very low | 33.1 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 61% | 0.613 | 72% | 0.723 | S | S | * | * | | | cis | -154.5 | 143.2 | 19.4 | -155.6 | 133.9 | 0 | 0 | 0 | 111.9 | | |
| 531 | Q | 30.7 | Very low | 33.1 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | | | trans | 54.3 | 147.7 | 168.2 | -74 | 166.3 | -20.2 | 0 | 0 | 120.2 | | |
| 532 | G | 29.7 | Very low | 34 | Very low | 70 Ų | 70 | 143.4 Ų | 143.4 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | | | cis | 114.7 | 97.7 | -17.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 533 | E | 30.5 | Very low | 34.6 | Very low | 196 Ų | 196 | 143.1 Ų | 143.1 | 92% | 0.916 | 74% | 0.739 | S | S | * | * | | | trans | -159.3 | 93.8 | 153.9 | -153.9 | 153.4 | 88.5 | 0 | 0 | 113.9 | | |
| 534 | D | 34.3 | Very low | 35.6 | Very low | 133 Ų | 133 | 147.4 Ų | 147.4 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | trans | 38.7 | 152.2 | 137.7 | -103 | -61 | 0 | 0 | 0 | 130.1 | | |
| 535 | H | 35.6 | Very low | 35.7 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | trans | 68.4 | 146.1 | 162.1 | -49.4 | -17.2 | 0 | 0 | 0 | 117.8 | | |
| 536 | I | 35.6 | Very low | 35.9 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 82% | 0.821 | 78% | 0.776 | S | S | * | * | | | cis | -145.8 | 131 | 32.2 | -67 | 167.6 | 0 | 0 | 0 | 113.1 | | |
| 537 | S | 33.6 | Very low | 36.3 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | 41.6 | 137.2 | 142.9 | -148 | 0 | 0 | 0 | 0 | 125.8 | | |
| 538 | A | 37.5 | Very low | 36.5 | Very low | 82 Ų | 82 | 150.6 Ų | 150.6 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | 68.5 | 151.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 539 | Q | 36.6 | Very low | 36.8 | Very low | 166 Ų | 166 | 149.5 Ų | 149.5 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | cis | 179.2 | 144.1 | -38.7 | -115.9 | 169.6 | -12.1 | 0 | 0 | 108.7 | | |
| 540 | N | 35.9 | Very low | 37.4 | Very low | 147 Ų | 147 | 148 Ų | 148 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | trans | 64.8 | 139.2 | 177.7 | -54 | -60.7 | 0 | 0 | 0 | 114.4 | | |
| 541 | Y | 43 | Very low | 37.6 | Very low | 209 Ų | 209 | 150.2 Ų | 150.2 | 82% | 0.82 | 80% | 0.8 | S | S | * | * | | | cis | -141.8 | 156.9 | 42.1 | -134.8 | -95.8 | 0 | 0 | 0 | 113.1 | I543 | Y541-I543 HydrophobicContact CD1-CG1 4.26Š|
| 542 | V | 48.2 | Very low | 38.2 | Very low | 121 Ų | 121 | 148 Ų | 148 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | | | trans | -108.8 | 134.5 | 170.5 | 171.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 543 | I | 43.1 | Very low | 38.9 | Very low | 142 Ų | 142 | 154.5 Ų | 154.5 | 73% | 0.728 | 80% | 0.803 | S | S | * | * | | | trans | -137 | 106.1 | 158.2 | -62.2 | -173.9 | 0 | 0 | 0 | 108.7 | Y541 | Y541-I543 HydrophobicContact CD1-CG1 4.26Š|
| 544 | I | 52.8 | Low | 39.6 | Very low | 226 Ų | 226 | 150.7 Ų | 150.7 | 100% | 1.159 | 79% | 0.793 | S | S | * | * | | | trans | 58.6 | 0 | 160.8 | -49 | 169.2 | 0 | 0 | 0 | 115.4 | | |