| 1 | M | 34.9 | Very low | 33.3 | Very low | 238 Ų | 238 | 149 Ų | 149 | 100% | 1.172 | 82% | 0.822 | S | S | * | * | | | | 0 | 146.9 | 0 | -68.8 | 173.1 | 67.8 | 0 | 0 | 107.4 | | |
| 2 | S | 33.3 | Very low | 33.3 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | | | trans | 55.9 | 108.5 | -170.3 | -121.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 3 | T | 32.4 | Very low | 32.9 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | | | cis | 61.4 | 100.3 | 37.3 | 81 | 0 | 0 | 0 | 0 | 114.9 | | |
| 4 | V | 38.8 | Very low | 33.3 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | | | trans | -137.7 | 120.4 | 130.6 | -177.3 | 0 | 0 | 0 | 0 | 107 | | |
| 5 | E | 31.8 | Very low | 33.2 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | | | trans | -110.9 | -174.7 | 164.5 | -72.1 | -173.5 | 115.1 | 0 | 0 | 108.8 | | |
| 6 | S | 35 | Very low | 33.2 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | | | trans | 88.3 | 141.5 | -177.7 | -146.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 7 | V | 38.3 | Very low | 33.5 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | | | cis | -120.9 | 148.3 | 19 | -178.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 8 | D | 31.6 | Very low | 33.5 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 60% | 0.599 | 82% | 0.822 | S | S | * | * | | | trans | -130.1 | 160.2 | 178.2 | -178.6 | 23.6 | 0 | 0 | 0 | 111 | | |
| 9 | K | 30.8 | Very low | 33.7 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | | | trans | 58 | 119.7 | 171.8 | -70 | 137.6 | -177.1 | 141.5 | 0 | 119 | | |
| 10 | M | 30.2 | Very low | 33.9 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | | | | -144.4 | 98.6 | 127 | -161.3 | 176.9 | -63.6 | 0 | 0 | 111.3 | | |
| 11 | V | 28.9 | Very low | 33.9 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | -112.4 | 121.4 | 164.6 | 174.1 | 0 | 0 | 0 | 0 | 107 | T13 | V11-T13 HydrophobicContact CG1-CG2 4.33Š|
| 12 | M | 33.6 | Very low | 34 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | | | trans | -112.8 | 108.7 | 174.9 | -95.1 | -73 | -175.6 | 0 | 0 | 109.3 | | |
| 13 | T | 28.5 | Very low | 34 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | -117.1 | 120 | 167.1 | 49.8 | 0 | 0 | 0 | 0 | 108.3 | V11 | V11-T13 HydrophobicContact CG1-CG2 4.33Š|
| 14 | T | 37.6 | Very low | 34.3 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | -126.8 | 152.7 | 173.2 | 45.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 15 | T | 32.9 | Very low | 34.1 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | trans | -110.7 | 160 | -156.6 | 17.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 16 | E | 33 | Very low | 34.5 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | | | trans | 53.7 | 119.3 | 145.7 | -67 | 168.1 | -159.9 | 0 | 0 | 121.1 | | |
| 17 | A | 37.6 | Very low | 34.4 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | | | trans | -163.3 | 137.9 | 134.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 18 | N | 34.1 | Very low | 34.2 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 94% | 0.941 | 78% | 0.777 | S | S | * | * | | | trans | -68.1 | 158.7 | -171.7 | -61.3 | -53.7 | 0 | 0 | 0 | 117.4 | | |
| 19 | G | 37.7 | Very low | 34.6 | Very low | 77 Ų | 77 | 143.3 Ų | 143.3 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | 140.6 | 132.2 | 150.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 20 | H | 36.4 | Very low | 34.5 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | cis | 167.3 | 114.5 | -27 | 162.5 | 88.2 | 0 | 0 | 0 | 105.9 | | |
| 21 | L | 34.4 | Very low | 35 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 67% | 0.665 | 79% | 0.792 | S | S | * | * | | | trans | 60.4 | 162.7 | 168.8 | -90.7 | 58.1 | 0 | 0 | 0 | 117.4 | | |
| 22 | D | 38.2 | Very low | 35.1 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | | | cis | -141.1 | 170.3 | 9.4 | -140.4 | -22.5 | 0 | 0 | 0 | 114.5 | | |
| 23 | E | 32.7 | Very low | 35.3 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 65% | 0.645 | 79% | 0.793 | S | S | * | * | | | trans | -89.2 | 136.9 | -179.1 | -174.9 | -169.3 | 151.1 | 0 | 0 | 113.3 | T25 | E23-T25 PolarHBondContact OE1-OG1 3.35Š|
| 24 | V | 39.1 | Very low | 35.5 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | | | trans | -137.9 | 108.1 | 153.6 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 25 | T | 33.2 | Very low | 35.4 | Very low | 101 Ų | 101 | 141 Ų | 141 | 62% | 0.62 | 80% | 0.798 | S | S | * | * | | | trans | -88.9 | 144.8 | 169.1 | 30.3 | 0 | 0 | 0 | 0 | 111.5 | E23 | E23-T25 PolarHBondContact OE1-OG1 3.35Š|
| 26 | H | 41.2 | Very low | 35.3 | Very low | 193 Ų | 193 | 140 Ų | 140 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | | | trans | -152.1 | 158.2 | 155.2 | -103.6 | -71.9 | 0 | 0 | 0 | 112.2 | | |
| 27 | R | 32.8 | Very low | 35.4 | Very low | 248 Ų | 248 | 138 Ų | 138 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | | | trans | -107.8 | 158.8 | -160.3 | -69.8 | 170.8 | 151.2 | -148.8 | -2.4 | 114.7 | | |
| 28 | G | 34.8 | Very low | 35 | Very low | 67 Ų | 67 | 138.7 Ų | 138.7 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | trans | 111.2 | 148.3 | 146.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 29 | T | 38.4 | Very low | 34.6 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | | | cis | -161.8 | 155.8 | -5.6 | -2.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 30 | D | 30.3 | Very low | 34.4 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | trans | -66 | 140.9 | 178.1 | -53.3 | -88.6 | 0 | 0 | 0 | 113.9 | | |
| 31 | V | 38.9 | Very low | 33.9 | Very low | 141 Ų | 141 | 141 Ų | 141 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | | | trans | -142.4 | 123.7 | 145.3 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 32 | T | 30.9 | Very low | 33.9 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | -91.6 | 143.4 | 172.4 | 50.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 33 | S | 38.8 | Very low | 33.4 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | -163 | 141.2 | 147.9 | -76.5 | 0 | 0 | 0 | 0 | 110 | | |
| 34 | D | 32.6 | Very low | 33.3 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | | | trans | -67 | 154 | 168.8 | -50.8 | -96 | 0 | 0 | 0 | 111 | | |
| 35 | D | 36.4 | Very low | 32.7 | Very low | 157 Ų | 157 | 146 Ų | 146 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | | | | -165.3 | 164.6 | 104 | -131.5 | -39.5 | 0 | 0 | 0 | 112.8 | | |
| 36 | S | 29.6 | Very low | 32.6 | Very low | 98 Ų | 98 | 146.5 Ų | 146.5 | 69% | 0.685 | 82% | 0.818 | S | S | * | * | | | trans | -87.3 | 152.7 | -179.6 | 67.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 37 | V | 34.2 | Very low | 31.8 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | | | trans | -167.1 | 159.5 | 140.2 | 131.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 38 | C | 29.2 | Very low | 31.5 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | | | trans | -75.7 | 169 | -159.5 | -55.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 39 | N | 27.6 | Very low | 31 | Very low | 159 Ų | 159 | 147 Ų | 147 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | | | trans | -42.8 | 141 | 163.6 | -58 | -74.9 | 0 | 0 | 0 | 114.6 | | |
| 40 | E | 32.3 | Very low | 30.6 | Very low | 196 Ų | 196 | 148.5 Ų | 148.5 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | | | trans | -140 | 152.6 | 145.1 | -113.9 | -172.9 | 172.7 | 0 | 0 | 110.7 | | |
| 41 | S | 26.9 | Very low | 30.3 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | | | trans | -119.6 | 131.1 | -178 | -67.6 | 0 | 0 | 0 | 0 | 111 | R43 | S41-R43 PolarHBondContact O-N 3.42Š|
| 42 | P | 34.5 | Very low | 29.9 | Very low | 124 Ų | 124 | 146 Ų | 146 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | | | trans | -72.9 | 103.4 | -179.6 | 29 | -33.7 | 0 | 0 | 0 | 111.2 | | |
| 43 | R | 26.8 | Very low | 30 | Very low | 238 Ų | 238 | 146.6 Ų | 146.6 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | | | trans | -72.6 | 119.7 | 158.9 | -81.2 | 178.3 | 162.9 | 174.9 | -4.9 | 108.8 | S41 | S41-R43 PolarHBondContact O-N 3.42Š|
| 44 | L | 31.2 | Very low | 29.4 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | | | trans | -122.7 | 108 | 168.8 | -96.8 | 161.7 | 0 | 0 | 0 | 109.9 | | |
| 45 | T | 25.9 | Very low | 29.3 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | | | trans | -106.5 | 108.5 | -178.8 | -46.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 46 | T | 31.3 | Very low | 28.9 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 68% | 0.681 | 80% | 0.8 | S | S | * | * | | | trans | -143.9 | 108.4 | 172.5 | -1.2 | 0 | 0 | 0 | 0 | 109.8 | Y48 | T46-Y48 HydrophobicContact CG2-CE2 4.38Š|
| 47 | G | 23.7 | Very low | 28.9 | Very low | 72 Ų | 72 | 148 Ų | 148 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | | | trans | -96.8 | 136.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 48 | Y | 27.4 | Very low | 28.9 | Very low | 216 Ų | 216 | 146.7 Ų | 146.7 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | | | trans | -132.5 | 124.2 | 165.6 | -80.5 | -82.7 | 0 | 0 | 0 | 109.6 | T46 | T46-Y48 HydrophobicContact CG2-CE2 4.38Š|
| 49 | Y | 23.5 | Very low | 28.8 | Very low | 231 Ų | 231 | 146.1 Ų | 146.1 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | | | trans | -74.7 | 142.6 | 167.9 | -84.6 | -108.3 | 0 | 0 | 0 | 109.9 | | |
| 50 | L | 29.5 | Very low | 28.9 | Very low | 173 Ų | 173 | 149.1 Ų | 149.1 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | | | trans | -167.2 | 149 | 134.4 | -104 | 156.3 | 0 | 0 | 0 | 110.1 | | |
| 51 | S | 25.5 | Very low | 28.8 | Very low | 84 Ų | 84 | 144.6 Ų | 144.6 | 59% | 0.587 | 79% | 0.786 | S | S | * | * | | | trans | -110.7 | -175 | -166.4 | 45.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 52 | H | 30.4 | Very low | 28.8 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | 83 | 131.2 | 173.3 | -45 | -72.1 | 0 | 0 | 0 | 115.1 | | |
| 53 | T | 32.3 | Very low | 28.6 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | | | cis | -157.9 | 143.9 | -2.8 | 2.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 54 | G | 27.5 | Very low | 28.8 | Very low | 60 Ų | 60 | 142 Ų | 142 | 62% | 0.619 | 78% | 0.778 | S | S | * | * | | | trans | 68.8 | 88.3 | 142.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 55 | Y | 30 | Very low | 28.6 | Very low | 234 Ų | 234 | 143.5 Ų | 143.5 | 92% | 0.918 | 78% | 0.78 | S | S | * | * | | | trans | -145.3 | 150.7 | 130.1 | -87.7 | -68.3 | 0 | 0 | 0 | 108.9 | | |
| 56 | T | 28.2 | Very low | 28.9 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | | | trans | -79.9 | 138.5 | -173.4 | 36.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 57 | V | 29.6 | Very low | 28.8 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | -119.4 | 123.3 | 179.1 | 177.5 | 0 | 0 | 0 | 0 | 109.4 | S59 | V57-S59 PolarHBondContact O-N 3.35Š|
| 58 | P | 33.2 | Very low | 29 | Very low | 114 Ų | 114 | 153.3 Ų | 153.3 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | | | trans | -65.7 | 114.9 | 167.4 | -18.4 | 32 | 0 | 0 | 0 | 109.9 | Y60 | P58-Y60 PolarHBondContact O-N 2.99Š|
| 59 | S | 27.8 | Very low | 29.1 | Very low | 104 Ų | 104 | 148.8 Ų | 148.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -78.9 | 106.9 | -175.9 | 56.1 | 0 | 0 | 0 | 0 | 112.1 | V57 | V57-S59 PolarHBondContact O-N 3.35Š|
| 60 | Y | 29.9 | Very low | 29.2 | Very low | 223 Ų | 223 | 145.8 Ų | 145.8 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | | | trans | -115 | 110 | 163.4 | -90.2 | -83.3 | 0 | 0 | 0 | 110.7 | P58 | P58-Y60 PolarHBondContact O-N 2.99Š|
| 61 | S | 28.9 | Very low | 29.2 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | | | trans | -84 | 120.8 | -173.9 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | I63 | S61-I63 PolarHBondContact O-N 2.88Å; S61-I63 VanDerWaalsContact O-N 3.15Å |
| 62 | P | 27.7 | Very low | 29.2 | Very low | 131 Ų | 131 | 147.6 Ų | 147.6 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | -87.9 | 78.6 | -179.6 | 34.5 | -33.9 | 0 | 0 | 0 | 111.3 | | |
| 63 | I | 30 | Very low | 29.1 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | | | trans | -130.5 | 123 | -172.1 | -68.1 | -173.7 | 0 | 0 | 0 | 113.1 | S61 | S61-I63 PolarHBondContact O-N 2.88Å; S61-I63 VanDerWaalsContact O-N 3.15Å |
| 64 | M | 31.2 | Very low | 28.9 | Very low | 145 Ų | 145 | 148.6 Ų | 148.6 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | | | trans | 75.2 | 119.1 | 160.2 | -65.9 | -76 | -85.4 | 0 | 0 | 120.4 | | |
| 65 | H | 28.4 | Very low | 29 | Very low | 184 Ų | 184 | 151.6 Ų | 151.6 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | | | trans | -59.5 | 141.5 | 151.2 | -56.3 | -101.3 | 0 | 0 | 0 | 110.5 | | |
| 66 | H | 32.1 | Very low | 28.7 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | | | trans | -146 | 154.5 | 146.3 | -92.6 | -69.8 | 0 | 0 | 0 | 111.6 | | |
| 67 | R | 29.4 | Very low | 28.7 | Very low | 224 Ų | 224 | 146.2 Ų | 146.2 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | | | trans | -76.2 | 158.2 | 176.9 | -82.2 | 178.4 | 173 | 162.1 | -2.9 | 110.9 | V69 | R67-V69 PolarHBondContact O-N 3.4Š|
| 68 | P | 27.4 | Very low | 28.6 | Very low | 131 Ų | 131 | 150 Ų | 150 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | | | trans | -61.8 | 134.3 | 177.5 | 26.5 | -35.5 | 0 | 0 | 0 | 111.4 | | |
| 69 | V | 29.8 | Very low | 28.5 | Very low | 121 Ų | 121 | 150.8 Ų | 150.8 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | trans | -128 | 125.1 | 169.3 | -171.4 | 0 | 0 | 0 | 0 | 107.3 | R67 I71 | R67-V69 PolarHBondContact O-N 3.4Å; V69-I71 HydrophobicContact CG1-CD1 4.02Å; V69-I71 HydrophobicContact CG1-CG1 3.97Å |
| 70 | N | 25.8 | Very low | 28.6 | Very low | 167 Ų | 167 | 149.3 Ų | 149.3 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | | | trans | -89.2 | 108.3 | -175.5 | -169.6 | 33.2 | 0 | 0 | 0 | 109.6 | | |
| 71 | I | 29.3 | Very low | 28.7 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 58% | 0.579 | 77% | 0.771 | S | S | * | * | | | trans | -141.6 | 120.3 | 177.3 | -48.8 | -179.5 | 0 | 0 | 0 | 109.9 | V69 Y73 | V69-I71 HydrophobicContact CG1-CD1 4.02Å; V69-I71 HydrophobicContact CG1-CG1 3.97Å; I71-Y73 HydrophobicContact CG2-CD2 3.77Å; I71-Y73 HydrophobicContact CG2-CE2 3.71Å |
| 72 | E | 25 | Very low | 28.6 | Very low | 182 Ų | 182 | 145.5 Ų | 145.5 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | | | trans | -69.1 | 130.8 | 165.9 | -62.3 | 172.6 | 106.7 | 0 | 0 | 110 | | |
| 73 | Y | 28.8 | Very low | 28.8 | Very low | 204 Ų | 204 | 147.6 Ų | 147.6 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | | | trans | -122.3 | 99.8 | 169.5 | -103.9 | -81.2 | 0 | 0 | 0 | 111.2 | I71 | I71-Y73 HydrophobicContact CG2-CD2 3.77Å; I71-Y73 HydrophobicContact CG2-CE2 3.71Å |
| 74 | V | 27 | Very low | 29 | Very low | 109 Ų | 109 | 148.5 Ų | 148.5 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | | | trans | -80.3 | 121.1 | 169.1 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | I76 | V74-I76 HydrophobicContact CG1-CD1 4.09Å; V74-I76 HydrophobicContact CG1-CG1 3.93Å; V74-I76 PolarHBondContact O-N 3.21Å |
| 75 | P | 29.3 | Very low | 28.8 | Very low | 124 Ų | 124 | 147.5 Ų | 147.5 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | | | trans | -83.7 | 99.3 | -174.8 | 31.7 | -33.8 | 0 | 0 | 0 | 111.9 | | |
| 76 | I | 25 | Very low | 28.9 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | | | trans | -140.7 | 104 | 171.1 | -29.1 | 179.4 | 0 | 0 | 0 | 112.5 | V74 | V74-I76 HydrophobicContact CG1-CD1 4.09Å; V74-I76 HydrophobicContact CG1-CG1 3.93Å; V74-I76 PolarHBondContact O-N 3.21Å |
| 77 | H | 27.6 | Very low | 28.9 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | | | | 171.8 | 140.7 | 107.3 | -101.9 | -34.3 | 0 | 0 | 0 | 116.1 | | |
| 78 | R | 27.3 | Very low | 29 | Very low | 204 Ų | 204 | 135.9 Ų | 135.9 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | 58.8 | 98 | 139.1 | -60.1 | 166.1 | -155.2 | -142.1 | 5.3 | 119 | | |
| 79 | S | 30.4 | Very low | 29 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | | | | -158 | 155.9 | 105.3 | 51.8 | 0 | 0 | 0 | 0 | 110 | | |
| 80 | G | 30.9 | Very low | 29.1 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 116.1 | 107.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 81 | S | 32.5 | Very low | 29.5 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | | | trans | -2.5 | 110.6 | 168.4 | 52.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 82 | C | 25.6 | Very low | 29.6 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -90.1 | 121.9 | 157.4 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 83 | Q | 32.3 | Very low | 29.9 | Very low | 175 Ų | 175 | 133.3 Ų | 133.3 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -135.9 | 148.9 | 162.2 | -72.7 | -164.5 | -0.1 | 0 | 0 | 109.4 | | |
| 84 | N | 34.4 | Very low | 29.9 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | | | trans | 67.7 | 142.8 | -169.7 | -60 | -17.3 | 0 | 0 | 0 | 115 | | |
| 85 | C | 26.8 | Very low | 29.8 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | -138.2 | -168.3 | -154.7 | -164.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 86 | C | 31 | Very low | 29.9 | Very low | 112 Ų | 112 | 131 Ų | 131 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | | | trans | 75.4 | 125.8 | -176.2 | -51 | 0 | 0 | 0 | 0 | 112.8 | | |
| 87 | C | 31.9 | Very low | 30 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | | | cis | -126.2 | 147 | 10.3 | -65.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 88 | S | 31 | Very low | 30.1 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | | 55.7 | 127.4 | 63.7 | -47.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 89 | S | 27.6 | Very low | 30.3 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | cis | 170.5 | 125.5 | -19 | 40.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 90 | S | 32.2 | Very low | 30.1 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | 171.8 | 133.8 | 143.3 | 52 | 0 | 0 | 0 | 0 | 114.5 | | |
| 91 | T | 32.9 | Very low | 30 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | | | trans | 34.8 | 158.4 | 138.3 | 61 | 0 | 0 | 0 | 0 | 124.5 | | |
| 92 | Q | 32.7 | Very low | 29.9 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | | | cis | 178.7 | 153.2 | -31.3 | -154.4 | 167.8 | 0.6 | 0 | 0 | 107.9 | | |
| 93 | F | 30.9 | Very low | 29.9 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | | | trans | 66 | 143.9 | 177.6 | -52.2 | -79.4 | 0 | 0 | 0 | 115.3 | | |
| 94 | C | 27.9 | Very low | 29.9 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | | | cis | 100.4 | 103.2 | 13.6 | -167.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 95 | G | 26 | Very low | 29.8 | Very low | 67 Ų | 67 | 137.9 Ų | 137.9 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | trans | 120.9 | 149.1 | 145.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 96 | Q | 31.3 | Very low | 29.9 | Very low | 199 Ų | 199 | 136.2 Ų | 136.2 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | | | trans | 81.9 | 146.5 | 158.5 | -53.1 | -173.4 | 4 | 0 | 0 | 120.1 | | |
| 97 | I | 26.9 | Very low | 29.9 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | -134.4 | 139.6 | 178.1 | -49.9 | 169.4 | 0 | 0 | 0 | 106.8 | | |
| 98 | P | 30.7 | Very low | 29.8 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | | | trans | -143.2 | 158.1 | 138.4 | 34.2 | -18.5 | 0 | 0 | 0 | 115 | | |
| 99 | Q | 29.9 | Very low | 29.6 | Very low | 197 Ų | 197 | 136.4 Ų | 136.4 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | | | trans | -89.4 | 142.2 | 169 | -58.7 | 170.9 | -56.5 | 0 | 0 | 110.9 | | |
| 100 | A | 26.1 | Very low | 29.9 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | trans | -163.4 | 119.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 101 | Y | 28.6 | Very low | 29.8 | Very low | 228 Ų | 228 | 137.4 Ų | 137.4 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | | | trans | 48.2 | 117.6 | 138.8 | -68.8 | -86.1 | 0 | 0 | 0 | 125.3 | | |
| 102 | A | 30.6 | Very low | 29.7 | Very low | 95 Ų | 95 | 138.6 Ų | 138.6 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | | 76.7 | 135.3 | 123 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 103 | H | 26.5 | Very low | 29.8 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | | | trans | -82.9 | 169.4 | 167.9 | -57.5 | -85.2 | 0 | 0 | 0 | 112.8 | | |
| 104 | P | 32.7 | Very low | 29.9 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | | | | -150.6 | 138.6 | 106.7 | 36.3 | -18.9 | 0 | 0 | 0 | 118.4 | | |
| 105 | M | 31.7 | Very low | 30.1 | Very low | 185 Ų | 185 | 131.4 Ų | 131.4 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | | | trans | 51.6 | 129.2 | 139.3 | -53.4 | -165.6 | 76.3 | 0 | 0 | 123.1 | | |
| 106 | A | 28.2 | Very low | 30.4 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 74% | 0.736 | 82% | 0.82 | S | S | * | * | | | trans | -103.6 | 166.9 | 172 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 107 | P | 31.1 | Very low | 30.1 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | | | trans | -126 | 152.9 | 170.9 | 39.3 | -26.6 | 0 | 0 | 0 | 116.9 | | |
| 108 | C | 30.1 | Very low | 30.4 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | | | trans | 69.4 | 103.6 | 152.5 | -64.6 | 0 | 0 | 0 | 0 | 122 | | |
| 109 | A | 27.5 | Very low | 30.2 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | | | trans | -77.7 | -175.2 | 144.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 110 | P | 33.7 | Very low | 30.2 | Very low | 110 Ų | 110 | 132 Ų | 132 | 71% | 0.714 | 82% | 0.815 | S | S | * | * | | | | -156.8 | 166 | 99.8 | 39.8 | -21.7 | 0 | 0 | 0 | 118.6 | | |
| 111 | T | 30.5 | Very low | 30.3 | Very low | 128 Ų | 128 | 132 Ų | 132 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | | | trans | 68.9 | 150 | 153.4 | 27.2 | 0 | 0 | 0 | 0 | 118.6 | | |
| 112 | I | 31.2 | Very low | 30.5 | Very low | 148 Ų | 148 | 126.8 Ų | 126.8 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | | | cis | -132.8 | 135.9 | 16.4 | -67.9 | -177.7 | 0 | 0 | 0 | 112.5 | | |
| 113 | V | 33.5 | Very low | 30.4 | Very low | 141 Ų | 141 | 130.2 Ų | 130.2 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | | | trans | 17.2 | 137.4 | 145.8 | -171.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 114 | G | 33.3 | Very low | 30.8 | Very low | 76 Ų | 76 | 127 Ų | 127 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | | | cis | 151.3 | 171.3 | 7.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 115 | G | 32.8 | Very low | 30.9 | Very low | 77 Ų | 77 | 127 Ų | 127 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | cis | -146.2 | -158.3 | -7.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 116 | L | 32.2 | Very low | 31.1 | Very low | 178 Ų | 178 | 125.6 Ų | 125.6 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | | | cis | -147.3 | 155.2 | 12.3 | -97.4 | 162.6 | 0 | 0 | 0 | 109.3 | | |
| 117 | C | 25.1 | Very low | 31.3 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | | | trans | -117.1 | 161.1 | 176.9 | -52.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 118 | T | 33.5 | Very low | 31.6 | Very low | 144 Ų | 144 | 129.3 Ų | 129.3 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | | | trans | -135.7 | 127.5 | 153.8 | 37.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 119 | Y | 25.8 | Very low | 31.7 | Very low | 219 Ų | 219 | 130.7 Ų | 130.7 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | | | trans | -76 | 153.2 | 176.7 | -91.4 | -128.8 | 0 | 0 | 0 | 112.3 | | |
| 120 | A | 30.3 | Very low | 32.2 | Very low | 106 Ų | 106 | 132 Ų | 132 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | | | trans | -152.9 | 107.6 | 137.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 121 | A | 26.8 | Very low | 32.3 | Very low | 93 Ų | 93 | 134 Ų | 134 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -136.4 | 125.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 122 | S | 33 | Very low | 32.6 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -159 | 124.1 | 178.1 | 51.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 123 | N | 29.1 | Very low | 32.7 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | | | trans | -74.7 | 147 | -178.2 | -56.9 | -36.9 | 0 | 0 | 0 | 111.7 | | |
| 124 | S | 35 | Very low | 32.9 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | -144.6 | 109.2 | 147.9 | 57.8 | 0 | 0 | 0 | 0 | 109 | | |
| 125 | V | 35.2 | Very low | 33.1 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | | | trans | -70.4 | 139.5 | 164.6 | 172.3 | 0 | 0 | 0 | 0 | 107.7 | Q127 | V125-Q127 HydrophobicContact CG1-CG 3.92Š|
| 126 | D | 35.3 | Very low | 32.9 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | | | trans | -136.4 | 143.6 | 155.4 | -148 | -24.5 | 0 | 0 | 0 | 109.5 | | |
| 127 | Q | 32.2 | Very low | 33.1 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | -128.5 | 114.3 | -170.2 | -71.9 | -175.4 | 0.6 | 0 | 0 | 111 | V125 | V125-Q127 HydrophobicContact CG1-CG 3.92Š|
| 128 | S | 37.4 | Very low | 33.4 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -149.9 | 100 | 161.2 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 129 | H | 33.1 | Very low | 33.5 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | | | trans | -72.4 | 153.7 | 156.7 | -115.9 | -38.6 | 0 | 0 | 0 | 108.7 | | |
| 130 | P | 37.9 | Very low | 33.9 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | | -124.9 | 168.8 | 97.1 | 0.7 | 20.1 | 0 | 0 | 0 | 113.4 | | |
| 131 | Q | 36 | Very low | 33.8 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | | | trans | -104.4 | 140.1 | 176.8 | -61.1 | 168.5 | -37.6 | 0 | 0 | 110.6 | | |
| 132 | H | 35 | Very low | 34 | Very low | 188 Ų | 188 | 140.3 Ų | 140.3 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | | | trans | -149.4 | 117.9 | 150.6 | -87.1 | -73.8 | 0 | 0 | 0 | 109.9 | | |
| 133 | P | 35.1 | Very low | 34 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | | | trans | -81.4 | 177.9 | 161.3 | 37.9 | -35.3 | 0 | 0 | 0 | 109.9 | | |
| 134 | P | 37.8 | Very low | 34.1 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | | | cis | -130.3 | 179 | 3.8 | 42.6 | -28.1 | 0 | 0 | 0 | 114.4 | | |
| 135 | T | 35.7 | Very low | 34.1 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | | -179.5 | 142.5 | 125.5 | 22.5 | 0 | 0 | 0 | 0 | 110.8 | I137 | T135-I137 PolarHBondContact O-N 3.45Š|
| 136 | S | 29.7 | Very low | 34 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | | | trans | -85.7 | 95.8 | 175.4 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | M138 | S136-M138 PolarHBondContact O-N 2.97Š|
| 137 | I | 36.3 | Very low | 33.8 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | | | trans | -87.1 | 103.6 | 171.8 | -59.9 | 179.8 | 0 | 0 | 0 | 108.7 | T135 Y139 | T135-I137 PolarHBondContact O-N 3.45Å; I137-Y139 HydrophobicContact CG2-CD2 3.99Å; I137-Y139 HydrophobicContact CG2-CE2 3.73Å; I137-Y139 PolarHBondContact O-N 3.32Å |
| 138 | M | 32 | Very low | 33.8 | Very low | 179 Ų | 179 | 135.1 Ų | 135.1 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 119.3 | 168.3 | -68.7 | 173.8 | 64.6 | 0 | 0 | 109.5 | S136 | S136-M138 PolarHBondContact O-N 2.97Š|
| 139 | Y | 35.4 | Very low | 33.6 | Very low | 202 Ų | 202 | 134 Ų | 134 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 149.6 | 156 | -88.5 | -94.2 | 0 | 0 | 0 | 109.4 | I137 | I137-Y139 HydrophobicContact CG2-CD2 3.99Å; I137-Y139 HydrophobicContact CG2-CE2 3.73Å; I137-Y139 PolarHBondContact O-N 3.32Å |
| 140 | P | 33.8 | Very low | 33.7 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 145.2 | -160.1 | 26 | -34.5 | 0 | 0 | 0 | 113.3 | | |
| 141 | S | 28.5 | Very low | 33.5 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 150.7 | 172.4 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 142 | M | 31.5 | Very low | 33.2 | Very low | 173 Ų | 173 | 135.7 Ų | 135.7 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 142.4 | 157.1 | -64 | -174.4 | -71.7 | 0 | 0 | 109.6 | P144 | M142-P144 WeakPolarHBondContact O-CD 3.13Š|
| 143 | V | 32.9 | Very low | 33.1 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | | | trans | -95.8 | 104.8 | -179.1 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 144 | P | 30.5 | Very low | 33 | Very low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | | | trans | -128.6 | 110.6 | 142.2 | 33.9 | -22.5 | 0 | 0 | 0 | 110.5 | M142 | M142-P144 WeakPolarHBondContact O-CD 3.13Š|
| 145 | S | 34.1 | Very low | 32.7 | Very low | 102 Ų | 102 | 131 Ų | 131 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | | | trans | -163.3 | 151.5 | 176.6 | -157.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 146 | V | 33.6 | Very low | 32.4 | Very low | 109 Ų | 109 | 131 Ų | 131 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | | | cis | -135.5 | 158.8 | 9.5 | -136.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 147 | F | 32.2 | Very low | 32.9 | Very low | 182 Ų | 182 | 130.5 Ų | 130.5 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | | | cis | -128 | 160.8 | 18 | -74.8 | -89.2 | 0 | 0 | 0 | 110.5 | | |
| 148 | A | 32.1 | Very low | 33 | Very low | 90 Ų | 90 | 131.6 Ų | 131.6 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | | | | 73.6 | 131.3 | 53 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 149 | A | 32.3 | Very low | 33.4 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | | | cis | -152.9 | 163.4 | -2.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 150 | P | 35.3 | Very low | 33.1 | Very low | 113 Ų | 113 | 125 Ų | 125 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | -106 | 161.3 | -173.4 | 39.7 | -33.9 | 0 | 0 | 0 | 115 | | |
| 151 | Y | 33.8 | Very low | 33.3 | Very low | 244 Ų | 244 | 124.8 Ų | 124.8 | 96% | 0.957 | 78% | 0.776 | S | S | * | * | | | trans | -153.5 | 164.4 | 151.3 | -94.1 | -65.6 | 0 | 0 | 0 | 111.2 | | |
| 152 | S | 30.1 | Very low | 33.5 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -129 | 145 | -157.9 | 58.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 153 | A | 32.9 | Very low | 33.6 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | | | trans | 42 | 113.8 | 149.5 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 154 | G | 32.8 | Very low | 33.6 | Very low | 72 Ų | 72 | 123.6 Ų | 123.6 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | | | trans | -159.5 | 114.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 155 | C | 32.3 | Very low | 33.6 | Very low | 130 Ų | 130 | 122.9 Ų | 122.9 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | | | trans | 35.2 | 116 | 155.4 | -54.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 156 | C | 27.9 | Very low | 33.6 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -65.8 | 164.6 | 142.5 | -48.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 157 | P | 41.2 | Very low | 33.5 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | | -157.5 | 175.6 | 86.9 | 44.3 | -26.2 | 0 | 0 | 0 | 118.3 | | |
| 158 | H | 38.4 | Very low | 33.4 | Very low | 151 Ų | 151 | 125.6 Ų | 125.6 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | | | trans | 73.5 | 115.5 | 148.5 | -76.2 | -60.5 | 0 | 0 | 0 | 123.3 | | |
| 159 | H | 40.3 | Very low | 33.4 | Very low | 173 Ų | 173 | 128.4 Ų | 128.4 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | | | trans | 69.3 | 115.5 | 143 | -57.7 | -56 | 0 | 0 | 0 | 122.1 | | |
| 160 | G | 28.6 | Very low | 33.6 | Very low | 69 Ų | 69 | 129 Ų | 129 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | -102.6 | -145.3 | 144.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 161 | P | 38.8 | Very low | 33.5 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | | | cis | -136.1 | -153.2 | -1.5 | 39.4 | -18 | 0 | 0 | 0 | 113.5 | | |
| 162 | F | 33.2 | Very low | 33.6 | Very low | 191 Ų | 191 | 126.2 Ų | 126.2 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | trans | 96.9 | 90.9 | 170.4 | -71.2 | -76.7 | 0 | 0 | 0 | 120.6 | | |
| 163 | A | 31.8 | Very low | 33.7 | Very low | 98 Ų | 98 | 124.6 Ų | 124.6 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | | 48.9 | 97.2 | 121.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 164 | A | 33.1 | Very low | 33.6 | Very low | 101 Ų | 101 | 126 Ų | 126 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | | | trans | -155.2 | 128 | 134.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 165 | S | 31.6 | Very low | 33.6 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | 6.9 | 135.5 | 144.6 | -141 | 0 | 0 | 0 | 0 | 121.9 | | |
| 166 | I | 33.3 | Very low | 33.7 | Very low | 148 Ų | 148 | 131.2 Ų | 131.2 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | | | trans | 74.2 | 114 | 152.8 | -62.3 | 157.6 | 0 | 0 | 0 | 118.7 | | |
| 167 | Q | 31.8 | Very low | 33.8 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | 34.5 | 135.3 | 152.9 | -63.7 | -168.6 | 2.1 | 0 | 0 | 122.2 | | |
| 168 | P | 30.7 | Very low | 33.7 | Very low | 130 Ų | 130 | 132 Ų | 132 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | | | trans | -134.1 | 144 | 134.2 | 36.9 | -25.3 | 0 | 0 | 0 | 115.5 | | |
| 169 | I | 31.5 | Very low | 33.5 | Very low | 148 Ų | 148 | 129.2 Ų | 129.2 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | -109.5 | 174.3 | 147.8 | 3.6 | 173.6 | 0 | 0 | 0 | 106.1 | | |
| 170 | P | 36.6 | Very low | 33.3 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | | | cis | -126.9 | -168.4 | -24.9 | 37.3 | -19.4 | 0 | 0 | 0 | 111.9 | | |
| 171 | F | 32.5 | Very low | 33.5 | Very low | 204 Ų | 204 | 131.5 Ų | 131.5 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | | | trans | -114.5 | 127.4 | 151.8 | -74.7 | -95.5 | 0 | 0 | 0 | 106.7 | | |
| 172 | A | 36 | Very low | 33.3 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | | 63.3 | 120.5 | 66.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 173 | G | 32.1 | Very low | 33.6 | Very low | 73 Ų | 73 | 129.1 Ų | 129.1 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | cis | 163.7 | 151.5 | -7.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 174 | C | 32.2 | Very low | 33.7 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 93% | 0.932 | 77% | 0.768 | S | S | * | * | | | trans | -161.3 | 155.9 | 166 | -119.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 175 | T | 32.2 | Very low | 33.8 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | | | trans | -123.2 | 139.2 | -160.7 | 52.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 176 | M | 34.5 | Very low | 34.2 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | | | trans | -159.2 | 142.2 | 131.3 | -88.6 | -45.2 | -177.6 | 0 | 0 | 110.4 | | |
| 177 | D | 30.4 | Very low | 34.2 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | -124.8 | 178.4 | 172.5 | -152.8 | 35.4 | 0 | 0 | 0 | 105.2 | | |
| 178 | P | 37.7 | Very low | 34.3 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 62% | 0.617 | 76% | 0.755 | S | S | * | * | | | cis | -145.5 | -177.6 | 8.9 | 44.1 | -24.3 | 0 | 0 | 0 | 118.5 | | |
| 179 | S | 35 | Very low | 34.3 | Very low | 93 Ų | 93 | 134.7 Ų | 134.7 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | | | trans | 100.1 | 135.8 | 139.5 | -66.1 | 0 | 0 | 0 | 0 | 122.5 | | |
| 180 | N | 36.8 | Very low | 34.3 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | | | trans | 81.9 | 143.8 | 161.8 | -63.1 | -61.1 | 0 | 0 | 0 | 119.8 | | |
| 181 | I | 32.4 | Very low | 34.3 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | | | cis | -179.6 | 158.5 | -47.9 | -101.7 | 167.3 | 0 | 0 | 0 | 107.9 | | |
| 182 | S | 34.9 | Very low | 34.3 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | | | trans | 83.2 | 125 | 176.6 | -153.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 183 | Q | 37.6 | Very low | 34.4 | Very low | 157 Ų | 157 | 131.6 Ų | 131.6 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | | | cis | 68.5 | 136.2 | 45.9 | -58.4 | -163.6 | 44.4 | 0 | 0 | 112.6 | | |
| 184 | Q | 34.7 | Very low | 34.4 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 66% | 0.659 | 74% | 0.744 | S | S | * | * | | | cis | -162.6 | 166.9 | 21.6 | -136.6 | 178 | 65.2 | 0 | 0 | 114.1 | | |
| 185 | K | 36.3 | Very low | 34.3 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | | | trans | 36.2 | 150 | 137.3 | -83.5 | 172.3 | 115.3 | -176.4 | 0 | 123.7 | | |
| 186 | T | 38.1 | Very low | 34.3 | Very low | 93 Ų | 93 | 133 Ų | 133 | 57% | 0.571 | 73% | 0.73 | S | S | * | * | | | cis | -176.9 | 158.3 | -20.9 | 19.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 187 | H | 35.2 | Very low | 34.1 | Very low | 186 Ų | 186 | 129.6 Ų | 129.6 | 86% | 0.861 | 72% | 0.719 | S | S | * | * | | | trans | 70.4 | 155 | 161.6 | -55.9 | -55.7 | 0 | 0 | 0 | 118.6 | | |
| 188 | G | 32.2 | Very low | 34.2 | Very low | 66 Ų | 66 | 126.7 Ų | 126.7 | 68% | 0.68 | 71% | 0.711 | S | S | * | * | | | cis | 164.7 | -178.4 | -6.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 189 | R | 30.8 | Very low | 34.1 | Very low | 215 Ų | 215 | 129.1 Ų | 129.1 | 81% | 0.811 | 72% | 0.719 | S | S | * | * | | | trans | 72.3 | 121.9 | 175.1 | -163.3 | 169.8 | -171.8 | 153.9 | 3.2 | 114.9 | E191 | R189-E191 IonicContact CZ-OE1 3.81Å; R189-E191 IonicContact NE-OE1 2.8Å; R189-E191 PolarHBondContact NE-OE1 2.87Å; R189-E191 IonicContact NH2-OE1 2.97Å; R189-E191 PolarHBondContact NH2-OE1 2.97Å |
| 190 | V | 31.4 | Very low | 33.8 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | | | cis | 83.7 | 108.8 | 34.9 | -178.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 191 | E | 38 | Very low | 33.4 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 68% | 0.682 | 72% | 0.722 | S | S | * | * | | | trans | -173.1 | 160.2 | 133.9 | -101.4 | 154.3 | -131.6 | 0 | 0 | 112.8 | R189 | R189-E191 IonicContact CZ-OE1 3.81Å; R189-E191 IonicContact NE-OE1 2.8Å; R189-E191 PolarHBondContact NE-OE1 2.87Å; R189-E191 IonicContact NH2-OE1 2.97Å; R189-E191 PolarHBondContact NH2-OE1 2.97Å |
| 192 | S | 31.2 | Very low | 33.3 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | | | trans | -161.1 | -170.4 | 176.1 | -57.6 | 0 | 0 | 0 | 0 | 105.2 | | |
| 193 | P | 38.1 | Very low | 33 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | | | cis | -143.6 | -152.5 | 1.6 | 29.1 | -0.3 | 0 | 0 | 0 | 113.4 | | |
| 194 | L | 32.6 | Very low | 32.6 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | | | trans | 83.3 | 134.6 | 147 | -70.7 | 164.8 | 0 | 0 | 0 | 123 | | |
| 195 | V | 31.1 | Very low | 32.4 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | | | trans | 78.7 | 136.4 | 134.4 | 162.7 | 0 | 0 | 0 | 0 | 118 | | |
| 196 | S | 32.2 | Very low | 32.6 | Very low | 89 Ų | 89 | 126.3 Ų | 126.3 | 62% | 0.622 | 74% | 0.74 | S | S | * | * | | | cis | -155.7 | 169 | 7.8 | -140 | 0 | 0 | 0 | 0 | 116.4 | | |
| 197 | T | 29.9 | Very low | 32.3 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | | | trans | -2.7 | 155.6 | 140.6 | 57.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 198 | S | 31.6 | Very low | 32.4 | Very low | 87 Ų | 87 | 123.8 Ų | 123.8 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | | | cis | -174.9 | -173 | -6.3 | -90.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 199 | D | 35.4 | Very low | 32.7 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | | | trans | 73.3 | 155.5 | 153.3 | -50.2 | -38.7 | 0 | 0 | 0 | 118.5 | | |
| 200 | T | 29 | Very low | 32.8 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 69% | 0.693 | 76% | 0.755 | S | S | * | * | | | cis | -159.5 | 150.9 | -37.6 | 33.6 | 0 | 0 | 0 | 0 | 108 | | |
| 201 | S | 28.3 | Very low | 33 | Very low | 113 Ų | 113 | 124.7 Ų | 124.7 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | | | trans | 38.4 | 130.7 | 151.7 | 63.8 | 0 | 0 | 0 | 0 | 122 | | |
| 202 | S | 29.9 | Very low | 32.7 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | | -173.6 | 170.3 | 115.9 | -158 | 0 | 0 | 0 | 0 | 112.3 | | |
| 203 | M | 28.8 | Very low | 33 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 83% | 0.833 | 77% | 0.766 | S | S | * | * | | | trans | -99.6 | -178 | -165.3 | -56.6 | 173.3 | 64.4 | 0 | 0 | 114.4 | | |
| 204 | S | 29.5 | Very low | 32.8 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | | | trans | 86.9 | 122.8 | 146.6 | 23.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 205 | D | 31.2 | Very low | 32.9 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | trans | 62.5 | 114.9 | 131 | -51.1 | -31.8 | 0 | 0 | 0 | 122.9 | | |
| 206 | T | 39.4 | Very low | 33 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | | | | 171.5 | 130.6 | 105.6 | 34.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 207 | S | 31.8 | Very low | 33.2 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | cis | 92.7 | 94.4 | 38.7 | -172 | 0 | 0 | 0 | 0 | 114 | | |
| 208 | S | 38.9 | Very low | 33.5 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | trans | 170.4 | 148.8 | 150.6 | -85.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 209 | K | 37.8 | Very low | 33.6 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | | | cis | -172.4 | 123.4 | -15.5 | 179.1 | 172.7 | -177.2 | 176.5 | 0 | 111.8 | | |
| 210 | M | 32 | Very low | 33.4 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 89% | 0.892 | 78% | 0.777 | S | S | * | * | | | trans | 59.7 | 149.6 | 155.3 | -58.8 | -77.4 | -89.3 | 0 | 0 | 119.3 | | |
| 211 | G | 35.8 | Very low | 33.9 | Very low | 67 Ų | 67 | 139 Ų | 139 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | | | cis | -168.3 | 178.2 | 1.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 212 | K | 33.1 | Very low | 34.1 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | | | trans | -111.1 | 158.1 | -178.4 | -53.8 | 177.4 | 177.7 | -174.4 | 0 | 111.7 | | |
| 213 | I | 36.8 | Very low | 34.6 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 91% | 0.908 | 77% | 0.774 | S | S | * | * | | | trans | -136.1 | 156 | 140.2 | -73.2 | 99.8 | 0 | 0 | 0 | 107.2 | | |
| 214 | S | 33.8 | Very low | 34.8 | Very low | 89 Ų | 89 | 142.4 Ų | 142.4 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | | | trans | -133 | 154.3 | -167.4 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 215 | E | 34.8 | Very low | 35 | Very low | 167 Ų | 167 | 144 Ų | 144 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | | | trans | 24.2 | 122.2 | 139.2 | -56.5 | 165.4 | 151.5 | 0 | 0 | 119.6 | | |
| 216 | N | 32.3 | Very low | 35.1 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | | | | 174.5 | 176.9 | 111 | -95.6 | -46.2 | 0 | 0 | 0 | 115 | | |
| 217 | E | 37.6 | Very low | 34.9 | Very low | 166 Ų | 166 | 141 Ų | 141 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | 86.2 | 107.6 | 169.9 | -55.5 | -156 | 75.6 | 0 | 0 | 116.3 | | |
| 218 | L | 35.6 | Very low | 34.9 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | | 77.9 | 135 | 68.8 | -71.8 | 175.6 | 0 | 0 | 0 | 112.1 | | |
| 219 | T | 32.9 | Very low | 34.6 | Very low | 103 Ų | 103 | 147.9 Ų | 147.9 | 63% | 0.632 | 77% | 0.774 | S | S | * | * | | | cis | -169.2 | 154.1 | -12.6 | 4.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 220 | T | 32.4 | Very low | 34.5 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | | | trans | 63.3 | 159.4 | 157.5 | 58.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 221 | K | 38.6 | Very low | 34.4 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | | | cis | -150.5 | 167.5 | 11.3 | -147 | 175 | 174.9 | -112.2 | 0 | 111.2 | E223 | K221-E223 IonicContact NZ-OE2 2.78Å; K221-E223 PolarHBondContact NZ-OE2 3.25Å |
| 222 | E | 33.9 | Very low | 34.5 | Very low | 180 Ų | 180 | 146 Ų | 146 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | | | trans | -89.1 | -163 | 178.4 | -58.3 | 170.1 | 106.5 | 0 | 0 | 113 | | |
| 223 | E | 39.4 | Very low | 34.4 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | | | trans | 90.2 | 139.9 | 168.5 | -50.2 | 173.8 | 97 | 0 | 0 | 117.7 | K221 | K221-E223 IonicContact NZ-OE2 2.78Å; K221-E223 PolarHBondContact NZ-OE2 3.25Å |
| 224 | D | 33.1 | Very low | 34.7 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | | | cis | -164.2 | 170.7 | -41.7 | -144.7 | -15.5 | 0 | 0 | 0 | 112.6 | | |
| 225 | L | 33.9 | Very low | 34.9 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | | | trans | 52.4 | 113.7 | 149.8 | -69.7 | 166.1 | 0 | 0 | 0 | 123.7 | | |
| 226 | T | 33.8 | Very low | 34.8 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | | | trans | 72.4 | 147.9 | 133 | 66.3 | 0 | 0 | 0 | 0 | 122.2 | | |
| 227 | G | 34.1 | Very low | 34.7 | Very low | 75 Ų | 75 | 138 Ų | 138 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | trans | -168.1 | -19.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 228 | N | 32.7 | Very low | 34.7 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | | | trans | 43.6 | 128.3 | 162.8 | -109.4 | -30.7 | 0 | 0 | 0 | 123.4 | | |
| 229 | R | 32.9 | Very low | 34.6 | Very low | 221 Ų | 221 | 137.8 Ų | 137.8 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | | | trans | 78.9 | 149.5 | 146.9 | -68 | 173 | 164 | -93.1 | -0.3 | 122.2 | | |
| 230 | G | 35 | Very low | 34.7 | Very low | 68 Ų | 68 | 138.1 Ų | 138.1 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | | | trans | 131.6 | 60.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 231 | D | 30.8 | Very low | 34.8 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | | 45.9 | 108.2 | 96.5 | -82.6 | -45.9 | 0 | 0 | 0 | 116.3 | | |
| 232 | L | 37.1 | Very low | 34.5 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 96% | 0.963 | 78% | 0.781 | S | S | * | * | | | | 176.7 | 155.2 | 123.2 | -94.4 | 154.2 | 0 | 0 | 0 | 112.7 | | |
| 233 | A | 30.4 | Very low | 34.3 | Very low | 86 Ų | 86 | 132.6 Ų | 132.6 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | trans | -106.9 | 158.8 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 234 | P | 42.8 | Very low | 34.1 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | | | trans | -91.6 | 161.5 | -178.6 | 37.3 | -36.5 | 0 | 0 | 0 | 113.9 | | |
| 235 | P | 38 | Very low | 33.9 | Very low | 111 Ų | 111 | 133 Ų | 133 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | | | trans | -139 | 132.5 | 152 | 35.8 | -19.8 | 0 | 0 | 0 | 116 | | |
| 236 | E | 34 | Very low | 33.9 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | | | | 65.5 | 135.8 | 127.6 | -65 | -158.8 | 168.5 | 0 | 0 | 125.5 | | |
| 237 | N | 30.5 | Very low | 33.8 | Very low | 130 Ų | 130 | 134 Ų | 134 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | | | trans | 62.8 | 104.6 | 134.1 | -66.2 | -34.7 | 0 | 0 | 0 | 121.6 | | |
| 238 | S | 37.8 | Very low | 33.5 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | trans | -156.7 | 140.8 | 134.9 | -82.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 239 | L | 31.9 | Very low | 33.4 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 160.7 | -177.8 | -79.2 | 169.6 | 0 | 0 | 0 | 112.1 | | |
| 240 | P | 36.8 | Very low | 33.2 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 155.7 | -164.4 | 37.4 | -36.3 | 0 | 0 | 0 | 114.9 | | |
| 241 | P | 34.6 | Very low | 33 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 164.6 | 147.5 | 37.1 | -30.7 | 0 | 0 | 0 | 110.4 | | |
| 242 | S | 30.6 | Very low | 33 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | | | cis | 159.3 | 95.6 | -23.9 | 170.2 | 0 | 0 | 0 | 0 | 105.2 | | |
| 243 | V | 29.6 | Very low | 32.5 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | | | trans | 31.6 | 109 | 157.3 | -169.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 244 | E | 35.7 | Very low | 32.4 | Very low | 198 Ų | 198 | 134 Ų | 134 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | | | trans | -128.3 | 151.3 | 137.8 | -76.6 | -164.7 | 124 | 0 | 0 | 109.7 | | |
| 245 | S | 29.1 | Very low | 31.6 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | | | trans | -153.9 | 141.1 | 178.2 | -164.3 | 0 | 0 | 0 | 0 | 107 | | |
| 246 | P | 34.3 | Very low | 31.1 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | | | | -149 | 171.2 | 92.9 | 39.9 | -24.2 | 0 | 0 | 0 | 114.7 | | |
| 247 | Q | 30.6 | Very low | 30.6 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | | | trans | 47.4 | 134.2 | 147.1 | -67.3 | 164.7 | 5.7 | 0 | 0 | 118.7 | | |
| 248 | D | 29.2 | Very low | 30.4 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | | | cis | -157.6 | 173.8 | 23.7 | -162.1 | -6.6 | 0 | 0 | 0 | 109.4 | | |
| 249 | G | 29.5 | Very low | 29.9 | Very low | 56 Ų | 56 | 143.1 Ų | 143.1 | 58% | 0.577 | 79% | 0.792 | S | S | * | * | | | trans | 121.9 | 83.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 250 | T | 29.4 | Very low | 29.5 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | | | trans | 41.8 | 91 | 137.3 | -44.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 251 | Q | 31.1 | Very low | 29 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -125.5 | 145 | 149.3 | -72.9 | -161.1 | 11.5 | 0 | 0 | 111.1 | I253 | Q251-I253 PolarHBondContact O-N 3.37Å; Q251-I253 VanDerWaalsContact O-N 3.1Å |
| 252 | P | 30.3 | Very low | 28.8 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -76.9 | 99.7 | -174.2 | 30.4 | -34.7 | 0 | 0 | 0 | 112.1 | S254 | P252-S254 PolarHBondContact O-N 3.45Š|
| 253 | I | 25.3 | Very low | 28.8 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -67 | 116.4 | 163.9 | -61.9 | 173.9 | 0 | 0 | 0 | 108.4 | Q251 Q255 | Q251-I253 PolarHBondContact O-N 3.37Å; Q251-I253 VanDerWaalsContact O-N 3.1Å; I253-Q255 HydrophobicContact CG2-CG 4.11Å |
| 254 | S | 29.7 | Very low | 28.9 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | | | trans | -116.6 | 92.4 | 162.7 | -161.5 | 0 | 0 | 0 | 0 | 109.6 | P252 R256 | P252-S254 PolarHBondContact O-N 3.45Å; S254-R256 PolarHBondContact O-N 2.9Å |
| 255 | Q | 25.6 | Very low | 28.6 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | | | trans | -62.4 | 125.9 | 162.8 | -68.4 | 175.7 | -13.4 | 0 | 0 | 108.4 | I253 | I253-Q255 HydrophobicContact CG2-CG 4.11Š|
| 256 | R | 28.1 | Very low | 28.8 | Very low | 230 Ų | 230 | 138 Ų | 138 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | | | trans | -121 | 132.2 | 158.1 | -79.1 | -168.6 | 171.5 | -174.7 | -1.6 | 109.5 | S254 | S254-R256 PolarHBondContact O-N 2.9Š|
| 257 | Y | 23.9 | Very low | 28.8 | Very low | 196 Ų | 196 | 140 Ų | 140 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | trans | -68.5 | 142 | -171.3 | -84.5 | -114 | 0 | 0 | 0 | 111.4 | T259 | Y257-T259 PolarHBondContact O-N 2.88Š|
| 258 | V | 25.9 | Very low | 29.2 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 90% | 0.903 | 75% | 0.754 | S | S | * | * | | | trans | -70.9 | 108.7 | 171.3 | 178.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 259 | T | 26.1 | Very low | 29.6 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | | | trans | -123.8 | 142.6 | 164.4 | 53.4 | 0 | 0 | 0 | 0 | 109.6 | Y257 A261 | Y257-T259 PolarHBondContact O-N 2.88Å; T259-A261 PolarHBondContact O-N 3.18Å |
| 260 | G | 24.5 | Very low | 30.2 | Very low | 91 Ų | 91 | 133.6 Ų | 133.6 | 94% | 0.938 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -73.1 | 96 | -161.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 261 | A | 26.1 | Very low | 30.8 | Very low | 62 Ų | 62 | 133 Ų | 133 | 51% | 0.512 | 72% | 0.723 | S | S | . | * | | | trans | -141.5 | 120.1 | 160 | 0 | 0 | 0 | 0 | 0 | 109.9 | T259 E263 | T259-A261 PolarHBondContact O-N 3.18Å; A261-E263 PolarHBondContact O-N 3.02Å |
| 262 | S | 29.5 | Very low | 31.5 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | | | trans | -76.4 | 89 | 178.5 | 54.5 | 0 | 0 | 0 | 0 | 111 | I264 | S262-I264 PolarHBondContact O-N 3.35Š|
| 263 | E | 31.7 | Very low | 32.1 | Very low | 165 Ų | 165 | 125.7 Ų | 125.7 | 77% | 0.771 | 69% | 0.689 | S | S | * | * | | | trans | -77.5 | 105.3 | 175.2 | -167 | 164.9 | -124.5 | 0 | 0 | 109.9 | A261 I265 | A261-E263 PolarHBondContact O-N 3.02Å; E263-I265 VanDerWaalsContact C-N 3.34Å; E263-I265 HydrophobicContact CG-CG1 4.09Å; E263-I265 PolarHBondContact O-N 3.27Å |
| 264 | I | 31 | Very low | 32.9 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 65% | 0.651 | 67% | 0.672 | S | S | * | * | | | trans | -81.3 | 84.4 | 179.4 | -51.8 | 179.3 | 0 | 0 | 0 | 108.7 | S262 F266 | S262-I264 PolarHBondContact O-N 3.35Å; I264-F266 VanDerWaalsContact C-N 3.34Å; I264-F266 HydrophobicContact CG2-CD2 3.72Å; I264-F266 HydrophobicContact CG2-CE2 3.48Å; I264-F266 VanDerWaalsContact CG2-CE2 3.48Å; I264-F266 HydrophobicContact CG2-CG 4.48Å; I264-F266 HydrophobicContact CG2-CZ 4.08Å; I264-F266 PolarHBondContact O-N 2.59Å |
| 265 | I | 29.8 | Very low | 33.7 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 62% | 0.615 | 66% | 0.663 | S | S | * | * | | | trans | -72.4 | 90.7 | 171.5 | -54.5 | 178.9 | 0 | 0 | 0 | 108.5 | E263 N267 | E263-I265 VanDerWaalsContact C-N 3.34Å; E263-I265 HydrophobicContact CG-CG1 4.09Å; E263-I265 PolarHBondContact O-N 3.27Å; I265-N267 PolarHBondContact O-N 2.95Å |
| 266 | F | 32.4 | Very low | 34.6 | Very low | 157 Ų | 157 | 116.6 Ų | 116.6 | 69% | 0.689 | 64% | 0.644 | S | S | * | * | | | trans | -70.4 | 104.7 | 159.4 | -77.7 | -77.1 | 0 | 0 | 0 | 108.4 | I264 L268 | I264-F266 VanDerWaalsContact C-N 3.34Å; I264-F266 HydrophobicContact CG2-CD2 3.72Å; I264-F266 HydrophobicContact CG2-CE2 3.48Å; I264-F266 VanDerWaalsContact CG2-CE2 3.48Å; I264-F266 HydrophobicContact CG2-CG 4.48Å; I264-F266 HydrophobicContact CG2-CZ 4.08Å; I264-F266 PolarHBondContact O-N 2.59Å; F266-L268 HydrophobicContact CB-CD1 4.49Å; F266-L268 WeakPolarHBondContact O-CD1 3.2Å; F266-L268 PolarHBondContact O-N 3.05Å |
| 267 | N | 34.1 | Very low | 35.2 | Very low | 145 Ų | 145 | 112 Ų | 112 | 78% | 0.775 | 63% | 0.631 | S | S | * | * | | | trans | -63.9 | 104.9 | 163.2 | -72.5 | -15.5 | 0 | 0 | 0 | 107.8 | I265 | I265-N267 PolarHBondContact O-N 2.95Š|
| 268 | L | 39.3 | Very low | 35.9 | Very low | 111 Ų | 111 | 107.3 Ų | 107.3 | 58% | 0.581 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 135.2 | 171.1 | -86.9 | 67.7 | 0 | 0 | 0 | 108.5 | F266 T270 | F266-L268 HydrophobicContact CB-CD1 4.49Å; F266-L268 WeakPolarHBondContact O-CD1 3.2Å; F266-L268 PolarHBondContact O-N 3.05Å; L268-T270 PolarHBondContact O-N 2.74Å |
| 269 | P | 38.8 | Very low | 36.7 | Very low | 81 Ų | 81 | 106 Ų | 106 | 53% | 0.526 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 133.3 | 166.4 | 28.1 | -33.7 | 0 | 0 | 0 | 109 | D273 V274 | P269-D273 HydrophobicContact CB-CB 3.73Å; P269-V274 HydrophobicContact CB-CG2 4.03Å; P269-V274 HydrophobicContact CG-CG2 4.1Å |
| 270 | T | 40.7 | Very low | 37.2 | Very low | 78 Ų | 78 | 104 Ų | 104 | 48% | 0.479 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -69.3 | 169.1 | 169.9 | 69.6 | 0 | 0 | 0 | 0 | 110.4 | L268 S272 D273 V274 | L268-T270 PolarHBondContact O-N 2.74Å; T270-S272 PolarHBondContact O-N 2.8Å; T270-S272 WeakPolarHBondContact OG1-CB 3.39Å; T270-S272 PolarHBondContact OG1-N 3.39Å; T270-D273 WeakPolarHBondContact CA-OD2 3.48Å; T270-D273 VanDerWaalsContact CB-OD2 3.26Å; T270-D273 WeakPolarHBondContact CB-OD2 3.37Å; T270-D273 WeakPolarHBondContact CG2-OD2 3.18Å; T270-D273 PolarHBondContact N-OD2 3.48Å; T270-D273 PolarHBondContact O-N 2.73Å; T270-D273 VanDerWaalsContact O-N 3.11Å; T270-D273 PolarHBondContact OG1-N 2.74Å; T270-D273 PolarHBondContact OG1-OD2 3.06Å; T270-V274 WeakPolarHBondContact O-CG2 3.29Å; T270-V274 PolarHBondContact O-N 3.23Å |
| 271 | L | 43.5 | Very low | 38 | Very low | 131 Ų | 131 | 107 Ų | 107 | 69% | 0.686 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -58.8 | -30 | 171.4 | -98.8 | 162.8 | 0 | 0 | 0 | 112.4 | I275 | L271-I275 WeakPolarHBondContact O-CD1 3.37Å; L271-I275 VanDerWaalsContact O-CG1 3.29Å; L271-I275 WeakPolarHBondContact O-CG1 3.44Å; L271-I275 PolarHBondContact O-N 3.13Å |
| 272 | S | 44.4 | Very low | 38.7 | Very low | 78 Ų | 78 | 114.7 Ų | 114.7 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.8 | -50.6 | 172.1 | -163.3 | 0 | 0 | 0 | 0 | 110.7 | T270 V274 I275 S276 | T270-S272 PolarHBondContact O-N 2.8Å; T270-S272 WeakPolarHBondContact OG1-CB 3.39Å; T270-S272 PolarHBondContact OG1-N 3.39Å; S272-V274 VanDerWaalsContact C-N 3.31Å; S272-V274 PolarHBondContact O-N 2.82Å; S272-I275 PolarHBondContact O-N 2.95Å; S272-I275 VanDerWaalsContact O-N 3.14Å; S272-S276 PolarHBondContact O-N 3.36Å; S272-S276 PolarHBondContact O-OG 3.33Å; S272-S276 VanDerWaalsContact O-OG 3.07Å |
| 273 | D | 43.8 | Very low | 39.1 | Very low | 70 Ų | 70 | 116.8 Ų | 116.8 | 37% | 0.374 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -59.9 | -41.3 | -178.9 | -56.9 | -63.1 | 0 | 0 | 0 | 111.6 | P269 T270 I275 S276 F277 | P269-D273 HydrophobicContact CB-CB 3.73Å; T270-D273 WeakPolarHBondContact CA-OD2 3.48Å; T270-D273 VanDerWaalsContact CB-OD2 3.26Å; T270-D273 WeakPolarHBondContact CB-OD2 3.37Å; T270-D273 WeakPolarHBondContact CG2-OD2 3.18Å; T270-D273 PolarHBondContact N-OD2 3.48Å; T270-D273 PolarHBondContact O-N 2.73Å; T270-D273 VanDerWaalsContact O-N 3.11Å; T270-D273 PolarHBondContact OG1-N 2.74Å; T270-D273 PolarHBondContact OG1-OD2 3.06Å; D273-I275 VanDerWaalsContact C-N 3.35Å; D273-I275 PolarHBondContact O-N 2.84Å; D273-S276 PolarHBondContact O-N 3.25Å; D273-F277 WeakPolarHBondContact O-CB 3.36Å; D273-F277 WeakPolarHBondContact O-CD2 3.22Å; D273-F277 PolarHBondContact O-N 3.16Å |
| 274 | V | 43.1 | Very low | 39.4 | Very low | 73 Ų | 73 | 113.9 Ų | 113.9 | 44% | 0.442 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.7 | -39 | 177.9 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | P269 T270 S272 V278 | P269-V274 HydrophobicContact CB-CG2 4.03Å; P269-V274 HydrophobicContact CG-CG2 4.1Å; T270-V274 WeakPolarHBondContact O-CG2 3.29Å; T270-V274 PolarHBondContact O-N 3.23Å; S272-V274 VanDerWaalsContact C-N 3.31Å; S272-V274 PolarHBondContact O-N 2.82Å; V274-V278 WeakPolarHBondContact O-CG2 3.34Å; V274-V278 PolarHBondContact O-N 3.09Å |
| 275 | I | 44.8 | Very low | 39.5 | Very low | 96 Ų | 96 | 112 Ų | 112 | 49% | 0.492 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.6 | -48 | 175.1 | -67.2 | 165.8 | 0 | 0 | 0 | 109.9 | L271 S272 D273 F277 V278 E279 | L271-I275 WeakPolarHBondContact O-CD1 3.37Å; L271-I275 VanDerWaalsContact O-CG1 3.29Å; L271-I275 WeakPolarHBondContact O-CG1 3.44Å; L271-I275 PolarHBondContact O-N 3.13Å; S272-I275 PolarHBondContact O-N 2.95Å; S272-I275 VanDerWaalsContact O-N 3.14Å; D273-I275 VanDerWaalsContact C-N 3.35Å; D273-I275 PolarHBondContact O-N 2.84Å; I275-F277 VanDerWaalsContact C-N 3.28Å; I275-F277 PolarHBondContact O-N 3.09Å; I275-V278 PolarHBondContact O-N 3.12Å; I275-E279 PolarHBondContact O-N 3.4Å |
| 276 | S | 46.1 | Very low | 39.7 | Very low | 48 Ų | 48 | 116.5 Ų | 116.5 | 34% | 0.336 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -59.1 | -35.1 | 177.1 | -57.5 | 0 | 0 | 0 | 0 | 113.1 | S272 D273 E279 L280 | S272-S276 PolarHBondContact O-N 3.36Å; S272-S276 PolarHBondContact O-OG 3.33Å; S272-S276 VanDerWaalsContact O-OG 3.07Å; D273-S276 PolarHBondContact O-N 3.25Å; S276-E279 PolarHBondContact O-N 3.47Å; S276-L280 VanDerWaalsContact O-CB 3.27Å; S276-L280 WeakPolarHBondContact O-CB 3.37Å; S276-L280 WeakPolarHBondContact O-CD1 3.33Å; S276-L280 VanDerWaalsContact O-CG 3.23Å; S276-L280 WeakPolarHBondContact O-CG 3.16Å; S276-L280 PolarHBondContact O-N 3.46Å |
| 277 | F | 40.4 | Very low | 40 | Very low | 134 Ų | 134 | 114.9 Ų | 114.9 | 59% | 0.588 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.2 | -39.2 | 173.9 | -97.7 | -80.5 | 0 | 0 | 0 | 112.5 | D273 I275 E279 L280 E281 | D273-F277 WeakPolarHBondContact O-CB 3.36Å; D273-F277 WeakPolarHBondContact O-CD2 3.22Å; D273-F277 PolarHBondContact O-N 3.16Å; I275-F277 VanDerWaalsContact C-N 3.28Å; I275-F277 PolarHBondContact O-N 3.09Å; F277-E279 VanDerWaalsContact C-N 3.35Å; F277-L280 PolarHBondContact O-N 3.15Å; F277-E281 WeakPolarHBondContact O-CG 3.48Å; F277-E281 PolarHBondContact O-N 2.88Å |
| 278 | V | 38.9 | Very low | 40.4 | Very low | 98 Ų | 98 | 112 Ų | 112 | 59% | 0.594 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.1 | -32.7 | 177.5 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | V274 I275 | V274-V278 WeakPolarHBondContact O-CG2 3.34Å; V274-V278 PolarHBondContact O-N 3.09Å; I275-V278 PolarHBondContact O-N 3.12Å |
| 279 | E | 41.5 | Very low | 40.8 | Very low | 122 Ų | 122 | 115.1 Ų | 115.1 | 57% | 0.57 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -76.3 | -39.4 | 173.5 | -67.9 | 179 | 126.3 | 0 | 0 | 112.1 | I275 S276 F277 E281 R282 E283 | I275-E279 PolarHBondContact O-N 3.4Å; S276-E279 PolarHBondContact O-N 3.47Å; F277-E279 VanDerWaalsContact C-N 3.35Å; E279-E281 VanDerWaalsContact C-N 3.33Å; E279-E281 PolarHBondContact O-N 2.74Å; E279-R282 WeakPolarHBondContact O-CA 3.43Å; E279-R282 VanDerWaalsContact O-CB 3.3Å; E279-R282 WeakPolarHBondContact O-CB 3.26Å; E279-R282 PolarHBondContact O-N 3.28Å; E279-E283 PolarHBondContact O-N 2.91Å |
| 280 | L | 37.2 | Very low | 41.1 | Very low | 81 Ų | 81 | 120 Ų | 120 | 42% | 0.424 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.8 | -34.5 | 174.8 | -78.5 | 166 | 0 | 0 | 0 | 113 | S276 F277 R282 H284 | S276-L280 VanDerWaalsContact O-CB 3.27Å; S276-L280 WeakPolarHBondContact O-CB 3.37Å; S276-L280 WeakPolarHBondContact O-CD1 3.33Å; S276-L280 VanDerWaalsContact O-CG 3.23Å; S276-L280 WeakPolarHBondContact O-CG 3.16Å; S276-L280 PolarHBondContact O-N 3.46Å; F277-L280 PolarHBondContact O-N 3.15Å; L280-R282 PolarHBondContact O-N 3.08Å; L280-H284 WeakPolarHBondContact O-CB 3.35Å; L280-H284 PolarHBondContact O-N 2.98Å; L280-H284 PolarHBondContact O-ND1 3.33Å |
| 281 | E | 41.1 | Very low | 41.4 | Very low | 152 Ų | 152 | 119.3 Ų | 119.3 | 71% | 0.71 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.6 | -17.4 | 170.6 | -75.9 | -169.1 | 158.5 | 0 | 0 | 113.4 | F277 E279 | F277-E281 WeakPolarHBondContact O-CG 3.48Å; F277-E281 PolarHBondContact O-N 2.88Å; E279-E281 VanDerWaalsContact C-N 3.33Å; E279-E281 PolarHBondContact O-N 2.74Å |
| 282 | R | 40.7 | Very low | 41.5 | Very low | 225 Ų | 225 | 119.8 Ų | 119.8 | 85% | 0.849 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -84.9 | -35.6 | 175.7 | -170.2 | 178.2 | 177.9 | 177.5 | -1.8 | 112.6 | E279 L280 | E279-R282 WeakPolarHBondContact O-CA 3.43Å; E279-R282 VanDerWaalsContact O-CB 3.3Å; E279-R282 WeakPolarHBondContact O-CB 3.26Å; E279-R282 PolarHBondContact O-N 3.28Å; L280-R282 PolarHBondContact O-N 3.08Å |
| 283 | E | 38.4 | Very low | 42 | Very low | 161 Ų | 161 | 120.5 Ų | 120.5 | 75% | 0.752 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -81.9 | -38.6 | 176.3 | -66.2 | -165 | 130.6 | 0 | 0 | 113 | E279 G285 | E279-E283 PolarHBondContact O-N 2.91Å; E283-G285 PolarHBondContact O-N 2.87Å |
| 284 | H | 37.9 | Very low | 42.2 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 48% | 0.477 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -88.4 | 96.9 | 179.2 | -62.7 | 79.1 | 0 | 0 | 0 | 109.4 | L280 R286 | L280-H284 WeakPolarHBondContact O-CB 3.35Å; L280-H284 PolarHBondContact O-N 2.98Å; L280-H284 PolarHBondContact O-ND1 3.33Å; H284-R286 PolarHBondContact O-N 3.23Å |
| 285 | G | 32.9 | Very low | 42.4 | Very low | 87 Ų | 87 | 121.4 Ų | 121.4 | 90% | 0.897 | 65% | 0.648 | S | S | * | * | | | trans | -63.3 | 55.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | E283 | E283-G285 PolarHBondContact O-N 2.87Š|
| 286 | R | 34 | Very low | 43.6 | Very low | 216 Ų | 216 | 124.3 Ų | 124.3 | 82% | 0.815 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 121.3 | 171.8 | -69.2 | -178.7 | 171.6 | -175.2 | -0.8 | 108 | H284 | H284-R286 PolarHBondContact O-N 3.23Š|
| 287 | T | 39.3 | Very low | 44.3 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 135 | 167.9 | 48.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 288 | P | 40.8 | Very low | 44.9 | Very low | 83 Ų | 83 | 128.5 Ų | 128.5 | 54% | 0.539 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 150.5 | 178.3 | 20.6 | -30.9 | 0 | 0 | 0 | 111.8 | F290 | P288-F290 CarbonylContact C-O 3.43Å; P288-F290 WeakPolarHBondContact CB-O 3.29Å; P288-F290 WeakPolarHBondContact CG-O 3.19Å; P288-F290 CarbonylContact O-C 3.35Å; P288-F290 PolarHBondContact O-N 3.08Å |
| 289 | L | 49.1 | Very low | 45 | Very low | 178 Ų | 178 | 130.6 Ų | 130.6 | 93% | 0.932 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -62 | -15.3 | -175.9 | -105.2 | 150 | 0 | 0 | 0 | 114.1 | | |
| 290 | F | 44.3 | Very low | 45.1 | Very low | 184 Ų | 184 | 132 Ų | 132 | 81% | 0.807 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -114.7 | 124.7 | 160.7 | -54.6 | -86.6 | 0 | 0 | 0 | 106.2 | P288 | P288-F290 CarbonylContact C-O 3.43Å; P288-F290 WeakPolarHBondContact CB-O 3.29Å; P288-F290 WeakPolarHBondContact CG-O 3.19Å; P288-F290 CarbonylContact O-C 3.35Å; P288-F290 PolarHBondContact O-N 3.08Å |
| 291 | G | 46.3 | Very low | 45.4 | Very low | 62 Ų | 62 | 137 Ų | 137 | 64% | 0.639 | 70% | 0.696 | S | S | * | * | | | trans | -63.5 | 169.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | T293 | G291-T293 PolarHBondContact O-N 2.82Š|
| 292 | D | 47.3 | Very low | 45.8 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 76% | 0.759 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -37 | 128.7 | -173.1 | -52.4 | -36.6 | 0 | 0 | 0 | 113.3 | | |
| 293 | T | 54.9 | Low | 46.1 | Very low | 92 Ų | 92 | 132 Ų | 132 | 56% | 0.564 | 69% | 0.691 | S | S | * | * | | | trans | -57.2 | 135.1 | -180 | 41.4 | 0 | 0 | 0 | 0 | 109.9 | G291 S295 | G291-T293 PolarHBondContact O-N 2.82Å; T293-S295 PolarHBondContact O-N 2.7Å |
| 294 | P | 47.4 | Very low | 46.3 | Very low | 58 Ų | 58 | 133.2 Ų | 133.2 | 38% | 0.377 | 70% | 0.697 | S | S | . | * | | | trans | -53.3 | 138.4 | 179 | -26.2 | 34.6 | 0 | 0 | 0 | 111.2 | W296 W297 | P294-W296 HydrophobicContact CB-CD2 4.33Å; P294-W296 HydrophobicContact CB-CG 4.31Å; P294-W296 HydrophobicContact CB-CZ2 4.28Å; P294-W296 VanDerWaalsContact CB-NE1 3.28Å; P294-W296 HydrophobicContact CG-CZ2 4.43Å; P294-W296 PolarHBondContact O-N 3.3Å; P294-W297 HydrophobicContact CG-CE3 4.28Å; P294-W297 WeakPolarHBondContact O-CB 3.36Å; P294-W297 PolarHBondContact O-N 2.74Å |
| 295 | S | 47.2 | Very low | 46.4 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -59.3 | -23 | -172.8 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | T293 W297 | T293-S295 PolarHBondContact O-N 2.7Å; S295-W297 VanDerWaalsContact C-N 3.33Å |
| 296 | W | 69.1 | Low | 47 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 60% | 0.598 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -77.6 | -13.8 | 174.5 | 60.7 | -98.4 | 0 | 0 | 0 | 114 | P294 N298 Q299 | P294-W296 HydrophobicContact CB-CD2 4.33Å; P294-W296 HydrophobicContact CB-CG 4.31Å; P294-W296 HydrophobicContact CB-CZ2 4.28Å; P294-W296 VanDerWaalsContact CB-NE1 3.28Å; P294-W296 HydrophobicContact CG-CZ2 4.43Å; P294-W296 PolarHBondContact O-N 3.3Å; W296-N298 VanDerWaalsContact C-N 3.25Å; W296-N298 PolarHBondContact O-N 2.88Å; W296-Q299 PolarHBondContact O-N 3.48Å |
| 297 | W | 61 | Low | 47.5 | Very low | 169 Ų | 169 | 137.9 Ų | 137.9 | 64% | 0.64 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -73.2 | -21.3 | -179.2 | -149.5 | -68.3 | 0 | 0 | 0 | 112.6 | P294 S295 | P294-W297 HydrophobicContact CG-CE3 4.28Å; P294-W297 WeakPolarHBondContact O-CB 3.36Å; P294-W297 PolarHBondContact O-N 2.74Å; S295-W297 VanDerWaalsContact C-N 3.33Å |
| 298 | N | 54.7 | Low | 47.7 | Very low | 100 Ų | 100 | 141.1 Ų | 141.1 | 54% | 0.535 | 72% | 0.721 | S | S | . | * | G | 310 helix | trans | -110.9 | 15.8 | 175.1 | -56.4 | -1.9 | 0 | 0 | 0 | 111.6 | W296 Q300 | W296-N298 VanDerWaalsContact C-N 3.25Å; W296-N298 PolarHBondContact O-N 2.88Å; N298-Q300 PolarHBondContact O-N 3.04Å |
| 299 | Q | 40 | Very low | 48 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | | | trans | -83.3 | 94.3 | 166.6 | -72.1 | -174.1 | -77.9 | 0 | 0 | 107.5 | W296 | W296-Q299 PolarHBondContact O-N 3.48Š|
| 300 | Q | 42.9 | Very low | 47.6 | Very low | 151 Ų | 151 | 147 Ų | 147 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | trans | -61.7 | 148.2 | 157 | -166.6 | 171.1 | -83.7 | 0 | 0 | 108.1 | N298 D302 | N298-Q300 PolarHBondContact O-N 3.04Å; Q300-D302 WeakPolarHBondContact CG-OD1 3.27Å; Q300-D302 PolarHBondContact NE2-OD1 3.1Å; Q300-D302 PolarHBondContact O-N 2.97Å |
| 301 | E | 44.5 | Very low | 47.8 | Very low | 188 Ų | 188 | 147.5 Ų | 147.5 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | | | trans | -78.7 | 64.9 | -179.8 | -64.8 | 178.1 | 141.4 | 0 | 0 | 109.6 | D303 | E301-D303 PolarHBondContact O-N 2.98Š|
| 302 | D | 48.4 | Very low | 47.6 | Very low | 124 Ų | 124 | 153.2 Ų | 153.2 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | | | trans | -82.2 | 52.3 | 176.2 | -57.3 | -31.5 | 0 | 0 | 0 | 110.5 | Q300 | Q300-D302 WeakPolarHBondContact CG-OD1 3.27Å; Q300-D302 PolarHBondContact NE2-OD1 3.1Å; Q300-D302 PolarHBondContact O-N 2.97Å |
| 303 | D | 46.9 | Very low | 47.2 | Very low | 148 Ų | 148 | 154 Ų | 154 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | -118.9 | 141 | 166.4 | -90.9 | -53.3 | 0 | 0 | 0 | 107.3 | E301 | E301-D303 PolarHBondContact O-N 2.98Š|
| 304 | E | 43.2 | Very low | 46.4 | Very low | 186 Ų | 186 | 154.6 Ų | 154.6 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 85.4 | 153.3 | -167.5 | -52 | -174.7 | 168.9 | 0 | 0 | 114.6 | | |
| 305 | D | 41.1 | Very low | 45.8 | Very low | 155 Ų | 155 | 156.8 Ų | 156.8 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | | | trans | 61.3 | 55.8 | -175.7 | -59.6 | -6.4 | 0 | 0 | 0 | 118.3 | | |
| 306 | Q | 44 | Very low | 45.2 | Very low | 195 Ų | 195 | 161.9 Ų | 161.9 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | | | trans | -93.2 | 91.4 | 148.8 | -76 | -173.1 | 13.8 | 0 | 0 | 109.9 | | |
| 307 | D | 45.1 | Very low | 43.2 | Very low | 153 Ų | 153 | 159.6 Ų | 159.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -82.4 | 134.4 | 164 | -84.6 | -38.9 | 0 | 0 | 0 | 110 | | |
| 308 | E | 43.6 | Very low | 42 | Very low | 191 Ų | 191 | 160.4 Ų | 160.4 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | | | trans | -85.7 | 106.9 | 179.9 | -65.4 | 178.5 | 151.7 | 0 | 0 | 111.2 | | |
| 309 | E | 46.5 | Very low | 41.1 | Very low | 191 Ų | 191 | 160 Ų | 160 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | | | trans | -110.3 | 88.4 | 163.2 | -71.7 | -164.3 | 149 | 0 | 0 | 110.7 | E311 | E309-E311 PolarHBondContact O-N 3.42Š|
| 310 | E | 42 | Very low | 41 | Very low | 195 Ų | 195 | 161.2 Ų | 161.2 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | | | trans | -78.7 | 100.4 | 163.8 | -69.5 | -167.9 | 134.9 | 0 | 0 | 110.1 | | |
| 311 | E | 48.3 | Very low | 40.6 | Very low | 194 Ų | 194 | 161.4 Ų | 161.4 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | | | trans | -88.3 | 115.3 | 160.4 | -81.3 | -152.4 | 132 | 0 | 0 | 111.1 | E309 D313 | E309-E311 PolarHBondContact O-N 3.42Å; E311-D313 PolarHBondContact O-N 3.31Å |
| 312 | E | 42.2 | Very low | 40.3 | Very low | 182 Ų | 182 | 156.5 Ų | 156.5 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | | | trans | -73.3 | 112 | 165.3 | -68.1 | -171.1 | 110.6 | 0 | 0 | 110.8 | | |
| 313 | D | 38.3 | Very low | 39.7 | Very low | 158 Ų | 158 | 157.4 Ų | 157.4 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | trans | -121.2 | 68.6 | 160.3 | -157 | 11.1 | 0 | 0 | 0 | 113.2 | E311 | E311-D313 PolarHBondContact O-N 3.31Š|
| 314 | V | 37 | Very low | 39.2 | Very low | 105 Ų | 105 | 154.3 Ų | 154.3 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | | | | 37.3 | 118.8 | 126.8 | -178.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 315 | S | 36.4 | Very low | 38.9 | Very low | 103 Ų | 103 | 153.2 Ų | 153.2 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | | | trans | 78 | 98.2 | 154.3 | -62.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 316 | K | 33 | Very low | 38.6 | Very low | 212 Ų | 212 | 149.6 Ų | 149.6 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | | | | -148.7 | 124.5 | 112.4 | -133.6 | 159.8 | -171 | 163.8 | 0 | 114.3 | | |
| 317 | C | 28.3 | Very low | 38.2 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | trans | -74.2 | 146.5 | 179.9 | -48.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 318 | Q | 35.8 | Very low | 37.8 | Very low | 186 Ų | 186 | 147.5 Ų | 147.5 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | | | | 177.8 | 131.2 | 112.6 | -97.8 | 174.8 | 42.3 | 0 | 0 | 113.9 | | |
| 319 | S | 35.7 | Very low | 37.3 | Very low | 91 Ų | 91 | 146.8 Ų | 146.8 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | trans | 57.7 | 129.1 | 137.5 | 158.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 320 | K | 37.5 | Very low | 36.7 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 73% | 0.726 | 76% | 0.763 | S | S | * | * | | | cis | -173.4 | 155.2 | 14.5 | -108.8 | 166.2 | -171.1 | 172.8 | 0 | 110.7 | | |
| 321 | Q | 35.4 | Very low | 36.5 | Very low | 156 Ų | 156 | 140 Ų | 140 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | | | trans | 60.8 | 118.8 | 147.7 | -64.8 | 173.8 | -97.2 | 0 | 0 | 118.2 | | |
| 322 | S | 36.7 | Very low | 35.9 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 59% | 0.594 | 74% | 0.742 | S | S | * | * | | | | 74.6 | 141 | 63.9 | 95 | 0 | 0 | 0 | 0 | 112.4 | | |
| 323 | D | 36.8 | Very low | 35.6 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | | | cis | -156.8 | 171.7 | 12.6 | -78.7 | -66.1 | 0 | 0 | 0 | 109.4 | | |
| 324 | S | 36.4 | Very low | 35.5 | Very low | 84 Ų | 84 | 138.4 Ų | 138.4 | 59% | 0.587 | 74% | 0.737 | S | S | * | * | | | cis | -175.7 | 178.3 | -29.6 | 65.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 325 | I | 37.1 | Very low | 35.5 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | | | trans | 70.9 | 147 | 157.3 | -69.8 | 167.3 | 0 | 0 | 0 | 118.7 | | |
| 326 | A | 35 | Very low | 35.5 | Very low | 78 Ų | 78 | 142.5 Ų | 142.5 | 65% | 0.645 | 74% | 0.742 | S | S | * | * | | | cis | -173.2 | 150.2 | -28 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 327 | V | 36.1 | Very low | 35.7 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 79% | 0.788 | 73% | 0.734 | S | S | * | * | | | trans | 73.2 | 153.7 | 134.7 | 164.1 | 0 | 0 | 0 | 0 | 123 | | |
| 328 | Q | 35.9 | Very low | 36.1 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | | | trans | 74.3 | 115.9 | 175.3 | -81.1 | 164.9 | 3.9 | 0 | 0 | 116.7 | | |
| 329 | E | 32.4 | Very low | 35.8 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | | | cis | 70 | 106.1 | 14.4 | -165.2 | -179.9 | -141.2 | 0 | 0 | 116.1 | | |
| 330 | N | 34.6 | Very low | 35.9 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | | | | -174.3 | 160 | 104.1 | -153 | 26.4 | 0 | 0 | 0 | 114.3 | | |
| 331 | D | 36.8 | Very low | 35.6 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | | | trans | 23.1 | 153.8 | 147 | -81.1 | -37.9 | 0 | 0 | 0 | 123.4 | | |
| 332 | Q | 36.3 | Very low | 35.5 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | | | cis | -174.2 | 153.1 | -7.4 | -176 | 169 | 94.6 | 0 | 0 | 110.1 | | |
| 333 | P | 35.3 | Very low | 35 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | | | trans | -114 | 158.8 | -175.8 | 39.8 | -32.6 | 0 | 0 | 0 | 116.1 | | |
| 334 | R | 36.4 | Very low | 35 | Very low | 223 Ų | 223 | 140.6 Ų | 140.6 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | | | trans | -170.5 | 164 | 160.1 | -116.7 | 173.9 | -170.1 | -92.6 | 1 | 117.7 | | |
| 335 | D | 37.9 | Very low | 34.9 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 66% | 0.658 | 77% | 0.77 | S | S | * | * | | | trans | 64.1 | 155.9 | 157.2 | -52.5 | -18.2 | 0 | 0 | 0 | 120.1 | | |
| 336 | E | 36.1 | Very low | 34.6 | Very low | 171 Ų | 171 | 147.5 Ų | 147.5 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | | | cis | -168.8 | -171.3 | -37.1 | -156 | -174 | -163.1 | 0 | 0 | 108.4 | | |
| 337 | V | 37 | Very low | 34.5 | Very low | 126 Ų | 126 | 153 Ų | 153 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | | | trans | 74 | 138.7 | 162.2 | -178.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 338 | V | 36.7 | Very low | 34.3 | Very low | 134 Ų | 134 | 156.5 Ų | 156.5 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | cis | -162.9 | 173.1 | -29.2 | 106.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 339 | L | 30.9 | Very low | 34.2 | Very low | 155 Ų | 155 | 154.7 Ų | 154.7 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | | | trans | -69.3 | -167.4 | 175.3 | -71.9 | 147.7 | 0 | 0 | 0 | 114.5 | | |
| 340 | P | 36.9 | Very low | 34.2 | Very low | 105 Ų | 105 | 156.2 Ų | 156.2 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | | | cis | -136.7 | 179.8 | -6.9 | 21.7 | 5.5 | 0 | 0 | 0 | 117.4 | | |
| 341 | E | 32.1 | Very low | 33.9 | Very low | 182 Ų | 182 | 153.9 Ų | 153.9 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | 22.3 | 138.7 | 146.7 | -61.2 | -175.2 | 95.5 | 0 | 0 | 124.6 | | |
| 342 | Q | 33.3 | Very low | 33.7 | Very low | 198 Ų | 198 | 157.4 Ų | 157.4 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | | | | -155.5 | 161.9 | 122.5 | -122.2 | -177.7 | 44.1 | 0 | 0 | 113.4 | | |
| 343 | S | 26 | Very low | 33.4 | Very low | 103 Ų | 103 | 158.2 Ų | 158.2 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | | | trans | -132.4 | 156.3 | -173.3 | 64.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 344 | S | 35.4 | Very low | 33.2 | Very low | 106 Ų | 106 | 157.8 Ų | 157.8 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | | | trans | -163.8 | 126.9 | 163.6 | -90.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 345 | Q | 35.6 | Very low | 33 | Very low | 183 Ų | 183 | 153 Ų | 153 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | trans | 39.9 | 122.6 | 137.5 | -49.7 | -176.7 | 6.3 | 0 | 0 | 120 | | |
| 346 | K | 29.1 | Very low | 32.6 | Very low | 209 Ų | 209 | 150.1 Ų | 150.1 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | cis | 87.9 | 90.5 | 38.8 | -168.9 | -176.6 | 179.6 | 175.7 | 0 | 115.8 | | |
| 347 | K | 34.4 | Very low | 32.3 | Very low | 194 Ų | 194 | 150.9 Ų | 150.9 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | trans | -155.9 | 121.9 | 153.9 | -143.7 | 166.8 | -179.2 | -178.9 | 0 | 107 | | |
| 348 | R | 32 | Very low | 32.2 | Very low | 203 Ų | 203 | 150.1 Ų | 150.1 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | | | | 51 | 128.9 | 79.1 | -84.7 | -170.9 | 174.9 | -146.5 | 13.4 | 112.6 | | |
| 349 | E | 33.1 | Very low | 31.9 | Very low | 136 Ų | 136 | 151.6 Ų | 151.6 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | | | cis | -144.7 | 134.6 | 7.7 | -107.4 | 129.6 | 166 | 0 | 0 | 109.6 | | |
| 350 | K | 32 | Very low | 32.1 | Very low | 209 Ų | 209 | 150 Ų | 150 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | | | | 67.4 | 111.6 | 102.2 | -167.8 | -176.5 | -179.8 | -177.8 | 0 | 115.4 | | |
| 351 | G | 29.2 | Very low | 31.8 | Very low | 76 Ų | 76 | 148.9 Ų | 148.9 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | | | trans | 166.8 | 81.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 352 | E | 32.2 | Very low | 31.8 | Very low | 192 Ų | 192 | 144 Ų | 144 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | | | trans | -92.9 | 138.2 | 174.1 | -67.8 | 162.6 | 104.3 | 0 | 0 | 110.9 | | |
| 353 | E | 30.1 | Very low | 31.8 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | | | trans | -163 | 153.9 | 147.3 | -99.6 | -102.3 | 98.6 | 0 | 0 | 107.8 | | |
| 354 | P | 31.1 | Very low | 32.3 | Very low | 105 Ų | 105 | 139.1 Ų | 139.1 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | | | trans | -92.9 | 137.5 | -151.1 | 33.4 | -35.3 | 0 | 0 | 0 | 115.1 | G356 | P354-G356 PolarHBondContact O-N 2.85Š|
| 355 | S | 31.6 | Very low | 32.6 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | | | trans | -74.5 | 107.8 | 153.3 | 58.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 356 | G | 30.5 | Very low | 33.5 | Very low | 64 Ų | 64 | 140 Ų | 140 | 66% | 0.66 | 73% | 0.733 | S | S | * | * | | | trans | -62.8 | 172 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P354 | P354-G356 PolarHBondContact O-N 2.85Š|
| 357 | E | 29.9 | Very low | 35 | Very low | 187 Ų | 187 | 132.8 Ų | 132.8 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | | | trans | -50.7 | 142.7 | 167.9 | -61.2 | 176.6 | 118.5 | 0 | 0 | 110 | E359 | E357-E359 PolarHBondContact O-N 2.86Š|
| 358 | P | 33.7 | Very low | 36.6 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 71% | 0.708 | 70% | 0.696 | S | S | * | * | | | trans | -63.1 | 108.5 | 160.6 | 28.4 | -30.5 | 0 | 0 | 0 | 106.7 | V360 | P358-V360 PolarHBondContact O-N 2.84Š|
| 359 | E | 30.7 | Very low | 38.5 | Very low | 166 Ų | 166 | 121.4 Ų | 121.4 | 78% | 0.776 | 68% | 0.681 | S | S | * | * | | | trans | -57.1 | 99.9 | 160 | -177.1 | -177.9 | -167.8 | 0 | 0 | 105.9 | E357 T361 | E357-E359 PolarHBondContact O-N 2.86Å; E359-T361 HydrophobicContact CG-CG2 4.31Å; E359-T361 PolarHBondContact O-N 3.48Å |
| 360 | V | 34.5 | Very low | 40.1 | Very low | 120 Ų | 120 | 120.9 Ų | 120.9 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | | | trans | -74 | 72.9 | 172.9 | -173 | 0 | 0 | 0 | 0 | 106.5 | P358 A362 | P358-V360 PolarHBondContact O-N 2.84Å; V360-A362 PolarHBondContact O-N 2.92Å |
| 361 | T | 32.1 | Very low | 41.9 | Very low | 83 Ų | 83 | 115.1 Ų | 115.1 | 51% | 0.509 | 65% | 0.65 | S | S | . | * | | | trans | -44.7 | 103.3 | 144.8 | 46 | 0 | 0 | 0 | 0 | 105.4 | E359 N363 | E359-T361 HydrophobicContact CG-CG2 4.31Å; E359-T361 PolarHBondContact O-N 3.48Å; T361-N363 PolarHBondContact O-N 3.27Å |
| 362 | A | 31.1 | Very low | 43.9 | Very low | 78 Ų | 78 | 115.4 Ų | 115.4 | 65% | 0.645 | 63% | 0.634 | S | S | * | * | | | trans | -64.2 | 92.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | V360 T364 | V360-A362 PolarHBondContact O-N 2.92Å; A362-T364 PolarHBondContact O-N 3.02Å; A362-T364 PolarHBondContact O-OG1 2.94Å |
| 363 | N | 33.6 | Very low | 45.7 | Very low | 122 Ų | 122 | 110.2 Ų | 110.2 | 65% | 0.652 | 61% | 0.611 | S | S | * | * | | | trans | -66.3 | 79 | 167.5 | -76.7 | -47.4 | 0 | 0 | 0 | 105.5 | T361 Y365 | T361-N363 PolarHBondContact O-N 3.27Å; N363-Y365 WeakPolarHBondContact O-CD2 3.36Å; N363-Y365 PolarHBondContact O-N 2.93Å |
| 364 | T | 37.6 | Very low | 47 | Very low | 77 Ų | 77 | 106.4 Ų | 106.4 | 47% | 0.472 | 60% | 0.602 | S | S | . | * | | | trans | -51.3 | 104.4 | -179.5 | -54.9 | 0 | 0 | 0 | 0 | 106.6 | A362 K366 | A362-T364 PolarHBondContact O-N 3.02Å; A362-T364 PolarHBondContact O-OG1 2.94Å; T364-K366 HydrophobicContact CG2-CG 4.33Å; T364-K366 PolarHBondContact O-N 2.8Å |
| 365 | Y | 41.3 | Very low | 48.1 | Very low | 200 Ų | 200 | 107.1 Ų | 107.1 | 78% | 0.784 | 60% | 0.595 | S | S | * | * | | | trans | -73.2 | 82.6 | -178.1 | -88.9 | -86 | 0 | 0 | 0 | 106.6 | N363 A367 | N363-Y365 WeakPolarHBondContact O-CD2 3.36Å; N363-Y365 PolarHBondContact O-N 2.93Å; Y365-A367 PolarHBondContact O-N 3.25Å |
| 366 | K | 53.6 | Low | 49.1 | Very low | 109 Ų | 109 | 105.2 Ų | 105.2 | 47% | 0.474 | 59% | 0.587 | S | S | . | * | | | trans | -62.9 | 77.7 | 171.1 | -79 | -163.7 | 159.9 | -157.3 | 0 | 109.1 | T364 S368 N406 | T364-K366 HydrophobicContact CG2-CG 4.33Å; T364-K366 PolarHBondContact O-N 2.8Å; K366-S368 PolarHBondContact O-N 3Å; K366-S368 VanDerWaalsContact O-N 3.14Å; K366-N406 WeakPolarHBondContact CE-OD1 3.4Å |
| 367 | A | 60.6 | Low | 50 | Low | 57 Ų | 57 | 106 Ų | 106 | 47% | 0.471 | 58% | 0.58 | S | S | . | * | | | trans | -53.7 | 121.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | Y365 F405 | Y365-A367 PolarHBondContact O-N 3.25Å; A367-F405 HydrophobicContact CB-CB 4.29Å; A367-F405 HydrophobicContact CB-CD2 4.18Å; A367-F405 WeakPolarHBondContact O-CB 3.35Å; A367-F405 WeakPolarHBondContact O-CD2 3.46Å; A367-F405 PolarHBondContact O-N 3.15Å |
| 368 | S | 69.2 | Low | 51.1 | Low | 70 Ų | 70 | 103.4 Ų | 103.4 | 49% | 0.49 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -138 | 131.8 | 179.6 | 54 | 0 | 0 | 0 | 0 | 109.6 | K366 I403 | K366-S368 PolarHBondContact O-N 3Å; K366-S368 VanDerWaalsContact O-N 3.14Å; S368-I403 CarbonylContact C-O 3.55Å; S368-I403 WeakPolarHBondContact CA-O 3.41Å; S368-I403 WeakPolarHBondContact CB-O 3.5Å |
| 369 | I | 70.5 | Confident | 51.7 | Low | 88 Ų | 88 | 103.9 Ų | 103.9 | 45% | 0.451 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.2 | 113.6 | 177.7 | -63 | 175.8 | 0 | 0 | 0 | 106.5 | M371 T402 I403 F405 | I369-M371 HydrophobicContact CG2-CG 3.71Å; I369-M371 HydrophobicContact CG2-SD 4.32Å; I369-T402 WeakPolarHBondContact O-CA 3.35Å; I369-I403 PolarHBondContact N-O 3.21Å; I369-I403 PolarHBondContact O-N 3.48Å; I369-F405 HydrophobicContact CD1-CE2 3.8Å; I369-F405 HydrophobicContact CD1-CZ 4.29Å; I369-F405 HydrophobicContact CG1-CE2 3.98Å |
| 370 | R | 66.6 | Low | 52.5 | Low | 125 Ų | 125 | 100.8 Ų | 100.8 | 47% | 0.472 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.7 | 129.9 | 163.2 | -168.3 | -169 | -160.8 | -130.4 | 5.4 | 107.6 | D372 A400 F401 E419 | R370-D372 WeakPolarHBondContact CD-OD1 3.49Å; R370-D372 WeakPolarHBondContact CG-OD1 3.36Å; R370-D372 IonicContact CZ-OD1 2.75Å; R370-D372 IonicContact CZ-OD2 3.53Å; R370-D372 IonicContact NE-OD1 3.35Å; R370-D372 PolarHBondContact NE-OD1 3.23Å; R370-D372 IonicContact NH1-OD1 2.66Å; R370-D372 PolarHBondContact NH1-OD1 2.93Å; R370-D372 IonicContact NH1-OD2 3.29Å; R370-D372 PolarHBondContact NH1-OD2 3.35Å; R370-D372 IonicContact NH2-OD1 2.7Å; R370-A400 HydrophobicContact CG-CB 4.26Å; R370-A400 VanDerWaalsContact CZ-CB 3.42Å; R370-A400 VanDerWaalsContact NH2-CB 3.34Å; R370-F401 WeakPolarHBondContact CA-O 3.41Å; R370-E419 IonicContact NH2-OE2 2.85Å; R370-E419 PolarHBondContact NH2-OE2 3.16Å |
| 371 | M | 70.4 | Confident | 52.7 | Low | 87 Ų | 87 | 98.2 Ų | 98.2 | 43% | 0.429 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.2 | 124.6 | 169.9 | -59.1 | -161 | -58.7 | 0 | 0 | 109.1 | I369 A400 F401 I403 | I369-M371 HydrophobicContact CG2-CG 3.71Å; I369-M371 HydrophobicContact CG2-SD 4.32Å; M371-A400 WeakPolarHBondContact O-CA 3.42Å; M371-F401 HydrophobicContact CB-CE1 4.13Å; M371-F401 HydrophobicContact CB-CZ 4.29Å; M371-F401 HydrophobicContact CE-CE1 4.16Å; M371-F401 HydrophobicContact CE-CE2 3.76Å; M371-F401 HydrophobicContact CE-CZ 3.32Å; M371-F401 PolarHBondContact N-O 3.38Å; M371-F401 PolarHBondContact O-N 3.2Å; M371-F401 VanDerWaalsContact O-N 3.08Å; M371-I403 HydrophobicContact CE-CD1 4.33Å |
| 372 | D | 72 | Confident | 52.9 | Low | 82 Ų | 82 | 104.4 Ų | 104.4 | 44% | 0.439 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 112.5 | -175.8 | -65.8 | -24.2 | 0 | 0 | 0 | 109.3 | R370 P374 A400 | R370-D372 WeakPolarHBondContact CD-OD1 3.49Å; R370-D372 WeakPolarHBondContact CG-OD1 3.36Å; R370-D372 IonicContact CZ-OD1 2.75Å; R370-D372 IonicContact CZ-OD2 3.53Å; R370-D372 IonicContact NE-OD1 3.35Å; R370-D372 PolarHBondContact NE-OD1 3.23Å; R370-D372 IonicContact NH1-OD1 2.66Å; R370-D372 PolarHBondContact NH1-OD1 2.93Å; R370-D372 IonicContact NH1-OD2 3.29Å; R370-D372 PolarHBondContact NH1-OD2 3.35Å; R370-D372 IonicContact NH2-OD1 2.7Å; D372-P374 WeakPolarHBondContact O-CD 3.14Å; D372-A400 WeakPolarHBondContact OD1-CB 3.42Å |
| 373 | I | 68.5 | Low | 53.3 | Low | 84 Ų | 84 | 105.2 Ų | 105.2 | 43% | 0.431 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 113.5 | 175.1 | -58.4 | 175.8 | 0 | 0 | 0 | 108.3 | F375 T398 A399 F401 | I373-F375 PolarHBondContact O-N 3.4Å; I373-T398 CarbonylContact O-C 3.59Å; I373-T398 VanDerWaalsContact O-CA 3.27Å; I373-T398 WeakPolarHBondContact O-CA 3.42Å; I373-A399 PolarHBondContact N-O 2.87Å; I373-A399 PolarHBondContact O-N 2.89Å; I373-F401 HydrophobicContact CD1-CD1 4.5Å; I373-F401 HydrophobicContact CD1-CE1 4.04Å; I373-F401 HydrophobicContact CG1-CE1 4.42Å |
| 374 | P | 58.1 | Low | 53.7 | Low | 100 Ų | 100 | 107 Ų | 107 | 65% | 0.649 | 62% | 0.616 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.2 | 124.2 | 166.9 | 30.3 | -32 | 0 | 0 | 0 | 109.6 | D372 T398 | D372-P374 WeakPolarHBondContact O-CD 3.14Å; P374-T398 HydrophobicContact CB-CG2 4.48Å |
| 375 | F | 54.2 | Low | 53.6 | Low | 119 Ų | 119 | 112.7 Ų | 112.7 | 52% | 0.522 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -75.4 | 136.1 | 162.7 | -64.5 | -68.3 | 0 | 0 | 0 | 108.9 | I373 R397 A399 | I373-F375 PolarHBondContact O-N 3.4Å; F375-R397 HydrophobicContact CB-CB 4.49Å; F375-R397 WeakPolarHBondContact CB-O 3.34Å; F375-R397 HydrophobicContact CD2-CB 3.87Å; F375-R397 VanDerWaalsContact CD2-O 3.3Å; F375-R397 WeakPolarHBondContact CD2-O 3.48Å; F375-R397 PolarHBondContact N-O 3.29Å; F375-A399 HydrophobicContact CE2-CB 3.55Å; F375-A399 HydrophobicContact CZ-CB 3.71Å |
| 376 | A | 52.2 | Low | 53.6 | Low | 83 Ų | 83 | 110.9 Ų | 110.9 | 69% | 0.686 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 142.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V378 | A376-V378 PolarHBondContact O-N 2.9Š|
| 377 | P | 50.1 | Low | 52.8 | Low | 81 Ų | 81 | 116 Ų | 116 | 53% | 0.526 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 124.6 | 173.6 | 25.4 | -32.8 | 0 | 0 | 0 | 108.9 | P379 E394 | P377-P379 WeakPolarHBondContact O-CD 3.49Å; P377-E394 WeakPolarHBondContact CB-OE1 3.46Å |
| 378 | V | 52.3 | Low | 51.7 | Low | 131 Ų | 131 | 116 Ų | 116 | 79% | 0.794 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 118.2 | 176.9 | 178.7 | 0 | 0 | 0 | 0 | 107.2 | A376 A380 | A376-V378 PolarHBondContact O-N 2.9Å; V378-A380 PolarHBondContact O-N 2.81Å; V378-A380 VanDerWaalsContact O-N 3.08Å |
| 379 | P | 47.3 | Very low | 50 | Low | 119 Ų | 119 | 119.5 Ų | 119.5 | 77% | 0.773 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 118.4 | -176.7 | 24.7 | -33.3 | 0 | 0 | 0 | 109.3 | P377 G381 | P377-P379 WeakPolarHBondContact O-CD 3.49Å; P379-G381 PolarHBondContact O-N 3.35Å |
| 380 | A | 47 | Very low | 48.2 | Very low | 101 Ų | 101 | 120.5 Ų | 120.5 | 84% | 0.835 | 70% | 0.696 | S | S | * | * | | | trans | -62.1 | 108.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | V378 | V378-A380 PolarHBondContact O-N 2.81Å; V378-A380 VanDerWaalsContact O-N 3.08Å |
| 381 | G | 38.2 | Very low | 46.8 | Very low | 67 Ų | 67 | 123.1 Ų | 123.1 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | | | trans | -54.8 | 144.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P379 A383 | P379-G381 PolarHBondContact O-N 3.35Å; G381-A383 VanDerWaalsContact C-N 3.3Å; G381-A383 PolarHBondContact O-N 3.29Å |
| 382 | K | 35.8 | Very low | 45.3 | Very low | 212 Ų | 212 | 124.1 Ų | 124.1 | 92% | 0.922 | 73% | 0.729 | S | S | * | * | | | trans | -62.6 | 82.1 | -172.2 | -65.1 | 179.9 | -179.7 | 177.5 | 0 | 112.5 | | |
| 383 | A | 41.2 | Very low | 44 | Very low | 95 Ų | 95 | 125.2 Ų | 125.2 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 137.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | G381 | G381-A383 VanDerWaalsContact C-N 3.3Å; G381-A383 PolarHBondContact O-N 3.29Å |
| 384 | N | 40.5 | Very low | 42.8 | Very low | 159 Ų | 159 | 128 Ų | 128 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 150.6 | -166.6 | -76.1 | -37.7 | 0 | 0 | 0 | 114.3 | N386 | N384-N386 PolarHBondContact O-N 2.98Š|
| 385 | H | 35.9 | Very low | 42.2 | Very low | 197 Ų | 197 | 127.1 Ų | 127.1 | 91% | 0.912 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 119.6 | 176.6 | -71.9 | -85.1 | 0 | 0 | 0 | 112.5 | | |
| 386 | N | 41.7 | Very low | 42.1 | Very low | 162 Ų | 162 | 129.1 Ų | 129.1 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | | | trans | -142.7 | 135.6 | 155.1 | -140.1 | -21.8 | 0 | 0 | 0 | 109.5 | N384 G388 | N384-N386 PolarHBondContact O-N 2.98Å; N386-G388 VanDerWaalsContact C-N 3.29Å; N386-G388 PolarHBondContact O-N 3.44Å |
| 387 | K | 37 | Very low | 42.1 | Very low | 217 Ų | 217 | 133.7 Ų | 133.7 | 94% | 0.943 | 76% | 0.76 | S | S | * | * | | | trans | -80.2 | 70.2 | -168.2 | -73.2 | -177.2 | 176.4 | 177.4 | 0 | 112.2 | | |
| 388 | G | 37.3 | Very low | 42.2 | Very low | 58 Ų | 58 | 133.1 Ų | 133.1 | 60% | 0.598 | 76% | 0.755 | S | S | * | * | | | trans | -98.9 | 120 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N386 C390 | N386-G388 VanDerWaalsContact C-N 3.29Å; N386-G388 PolarHBondContact O-N 3.44Å; G388-C390 PolarHBondContact O-N 3.36Å; G388-C390 VanDerWaalsContact O-N 3.09Å |
| 389 | N | 33.6 | Very low | 42.4 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | | | trans | -75.7 | 94.5 | 177.5 | -178.2 | 55.4 | 0 | 0 | 0 | 111.5 | | |
| 390 | C | 32.4 | Very low | 43 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 73% | 0.73 | 70% | 0.697 | S | S | * | * | | | trans | -128.6 | 104.4 | -177.3 | -73 | 0 | 0 | 0 | 0 | 112.1 | G388 S392 | G388-C390 PolarHBondContact O-N 3.36Å; G388-C390 VanDerWaalsContact O-N 3.09Å; C390-S392 PolarHBondContact O-N 3.34Å |
| 391 | H | 36.4 | Very low | 43.9 | Very low | 181 Ų | 181 | 120.9 Ų | 120.9 | 84% | 0.838 | 67% | 0.669 | S | S | * | * | | | trans | -73.2 | 70.6 | 166.5 | -64.4 | -72.5 | 0 | 0 | 0 | 110.7 | S393 | H391-S393 PolarHBondContact O-N 2.89Š|
| 392 | S | 39.7 | Very low | 44.9 | Very low | 107 Ų | 107 | 119.2 Ų | 119.2 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | | | trans | -76.2 | 100.8 | 173.9 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | C390 E394 | C390-S392 PolarHBondContact O-N 3.34Å; S392-E394 PolarHBondContact O-N 2.8Å |
| 393 | S | 45.4 | Very low | 46.4 | Very low | 105 Ų | 105 | 110.6 Ų | 110.6 | 73% | 0.734 | 61% | 0.609 | S | S | * | * | | | trans | -56.2 | 120.8 | 175.7 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | H391 S395 | H391-S393 PolarHBondContact O-N 2.89Å; S393-S395 PolarHBondContact O-N 3.02Å |
| 394 | E | 42.8 | Very low | 47.3 | Very low | 144 Ų | 144 | 109.1 Ų | 109.1 | 67% | 0.673 | 59% | 0.585 | S | S | * | * | | | trans | -67.5 | 108.6 | 179.8 | -168 | 156.9 | -177.5 | 0 | 0 | 110.3 | P377 S392 H396 | P377-E394 WeakPolarHBondContact CB-OE1 3.46Å; S392-E394 PolarHBondContact O-N 2.8Å; E394-H396 PolarHBondContact O-N 2.94Å |
| 395 | S | 45.8 | Very low | 48.4 | Very low | 81 Ų | 81 | 105.4 Ų | 105.4 | 57% | 0.566 | 56% | 0.562 | S | S | * | * | | | trans | -78.6 | 92.5 | -172.2 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | S393 R397 | S393-S395 PolarHBondContact O-N 3.02Å; S395-R397 VanDerWaalsContact C-N 3.33Å; S395-R397 PolarHBondContact O-N 3.27Å |
| 396 | H | 52.1 | Low | 49.6 | Very low | 161 Ų | 161 | 97.7 Ų | 97.7 | 75% | 0.745 | 53% | 0.527 | S | S | * | . | | | trans | -55.8 | 97.2 | 163.3 | -72.4 | -74.9 | 0 | 0 | 0 | 109.1 | E394 T398 | E394-H396 PolarHBondContact O-N 2.94Å; H396-T398 PolarHBondContact O-N 3.33Å |
| 397 | R | 52 | Low | 50.4 | Low | 179 Ų | 179 | 96.9 Ų | 96.9 | 68% | 0.675 | 52% | 0.518 | S | S | * | . | | | trans | -81.4 | 114.9 | 173.1 | -66.4 | -175.9 | -179.6 | -173.2 | 0.6 | 107.8 | F375 S395 | F375-R397 HydrophobicContact CB-CB 4.49Å; F375-R397 WeakPolarHBondContact CB-O 3.34Å; F375-R397 HydrophobicContact CD2-CB 3.87Å; F375-R397 VanDerWaalsContact CD2-O 3.3Å; F375-R397 WeakPolarHBondContact CD2-O 3.48Å; F375-R397 PolarHBondContact N-O 3.29Å; S395-R397 VanDerWaalsContact C-N 3.33Å; S395-R397 PolarHBondContact O-N 3.27Å |
| 398 | T | 52.3 | Low | 51.1 | Low | 68 Ų | 68 | 92 Ų | 92 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 138.8 | 164.7 | 42.5 | 0 | 0 | 0 | 0 | 109 | I373 P374 H396 | I373-T398 CarbonylContact O-C 3.59Å; I373-T398 VanDerWaalsContact O-CA 3.27Å; I373-T398 WeakPolarHBondContact O-CA 3.42Å; P374-T398 HydrophobicContact CB-CG2 4.48Å; H396-T398 PolarHBondContact O-N 3.33Å |
| 399 | A | 55.4 | Low | 51.8 | Low | 32 Ų | 32 | 98.3 Ų | 98.3 | 26% | 0.264 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 117.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | I373 F375 | I373-A399 PolarHBondContact N-O 2.87Å; I373-A399 PolarHBondContact O-N 2.89Å; F375-A399 HydrophobicContact CE2-CB 3.55Å; F375-A399 HydrophobicContact CZ-CB 3.71Å |
| 400 | A | 61.4 | Low | 52.6 | Low | 10 Ų | 10 | 96.2 Ų | 96.2 | 8% | 0.083 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 148.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | R370 M371 D372 | R370-A400 HydrophobicContact CG-CB 4.26Å; R370-A400 VanDerWaalsContact CZ-CB 3.42Å; R370-A400 VanDerWaalsContact NH2-CB 3.34Å; M371-A400 WeakPolarHBondContact O-CA 3.42Å; D372-A400 WeakPolarHBondContact OD1-CB 3.42Å |
| 401 | F | 64.7 | Low | 53.3 | Low | 53 Ų | 53 | 94.7 Ų | 94.7 | 23% | 0.232 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 151.5 | 159.8 | 66.7 | -81 | 0 | 0 | 0 | 110.6 | R370 M371 I373 I403 V414 | R370-F401 WeakPolarHBondContact CA-O 3.41Å; M371-F401 HydrophobicContact CB-CE1 4.13Å; M371-F401 HydrophobicContact CB-CZ 4.29Å; M371-F401 HydrophobicContact CE-CE1 4.16Å; M371-F401 HydrophobicContact CE-CE2 3.76Å; M371-F401 HydrophobicContact CE-CZ 3.32Å; M371-F401 PolarHBondContact N-O 3.38Å; M371-F401 PolarHBondContact O-N 3.2Å; M371-F401 VanDerWaalsContact O-N 3.08Å; I373-F401 HydrophobicContact CD1-CD1 4.5Å; I373-F401 HydrophobicContact CD1-CE1 4.04Å; I373-F401 HydrophobicContact CG1-CE1 4.42Å; F401-I403 HydrophobicContact CD2-CG1 4.33Å; F401-I403 HydrophobicContact CE2-CD1 4.31Å; F401-I403 HydrophobicContact CE2-CG1 4.18Å; F401-V414 HydrophobicContact CD2-CG1 3.99Å |
| 402 | T | 59.3 | Low | 53.8 | Low | 31 Ų | 31 | 89.6 Ų | 89.6 | 19% | 0.19 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 121.1 | -177.5 | -54.9 | 0 | 0 | 0 | 0 | 110.3 | I369 A415 | I369-T402 WeakPolarHBondContact O-CA 3.35Å; T402-A415 PolarHBondContact N-O 3.1Å; T402-A415 VanDerWaalsContact N-O 3.1Å; T402-A415 PolarHBondContact O-N 3.42Å |
| 403 | I | 67.5 | Low | 53.9 | Low | 32 Ų | 32 | 90.7 Ų | 90.7 | 16% | 0.164 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 120.8 | 168.1 | -55.7 | 173.4 | 0 | 0 | 0 | 106.7 | S368 I369 M371 F401 F405 V414 | S368-I403 CarbonylContact C-O 3.55Å; S368-I403 WeakPolarHBondContact CA-O 3.41Å; S368-I403 WeakPolarHBondContact CB-O 3.5Å; I369-I403 PolarHBondContact N-O 3.21Å; I369-I403 PolarHBondContact O-N 3.48Å; M371-I403 HydrophobicContact CE-CD1 4.33Å; F401-I403 HydrophobicContact CD2-CG1 4.33Å; F401-I403 HydrophobicContact CE2-CD1 4.31Å; F401-I403 HydrophobicContact CE2-CG1 4.18Å; I403-F405 HydrophobicContact CG2-CD1 4.41Å; I403-F405 HydrophobicContact CG2-CD2 4.49Å; I403-F405 HydrophobicContact CG2-CE1 3.94Å; I403-F405 HydrophobicContact CG2-CE2 4.02Å; I403-F405 HydrophobicContact CG2-CZ 3.72Å; I403-V414 HydrophobicContact CG1-CG2 4.38Å |
| 404 | Q | 60.6 | Low | 54 | Low | 63 Ų | 63 | 89.6 Ų | 89.6 | 29% | 0.294 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.3 | 167 | -68.9 | -173.9 | 25.4 | 0 | 0 | 109.1 | M413 | Q404-M413 PolarHBondContact N-O 2.88Å; Q404-M413 PolarHBondContact O-N 3.02Å |
| 405 | F | 62.3 | Low | 54.1 | Low | 81 Ų | 81 | 84.5 Ų | 84.5 | 36% | 0.355 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -85.7 | 121.7 | 167.5 | -57.9 | -78.2 | 0 | 0 | 0 | 108.5 | A367 I369 I403 N412 | A367-F405 HydrophobicContact CB-CB 4.29Å; A367-F405 HydrophobicContact CB-CD2 4.18Å; A367-F405 WeakPolarHBondContact O-CB 3.35Å; A367-F405 WeakPolarHBondContact O-CD2 3.46Å; A367-F405 PolarHBondContact O-N 3.15Å; I369-F405 HydrophobicContact CD1-CE2 3.8Å; I369-F405 HydrophobicContact CD1-CZ 4.29Å; I369-F405 HydrophobicContact CG1-CE2 3.98Å; I403-F405 HydrophobicContact CG2-CD1 4.41Å; I403-F405 HydrophobicContact CG2-CD2 4.49Å; I403-F405 HydrophobicContact CG2-CE1 3.94Å; I403-F405 HydrophobicContact CG2-CE2 4.02Å; I403-F405 HydrophobicContact CG2-CZ 3.72Å; F405-N412 WeakPolarHBondContact CA-OD1 3.35Å |
| 406 | N | 62.9 | Low | 53.7 | Low | 36 Ų | 36 | 87.2 Ų | 87.2 | 19% | 0.193 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -98.8 | 146.3 | 165.3 | -63.8 | -44.3 | 0 | 0 | 0 | 107.4 | K366 D408 T411 N412 | K366-N406 WeakPolarHBondContact CE-OD1 3.4Å; N406-D408 PolarHBondContact O-N 3Å; N406-T411 PolarHBondContact ND2-O 2.77Å; N406-N412 PolarHBondContact N-OD1 2.9Å; N406-N412 PolarHBondContact O-OD1 3.44Å |
| 407 | E | 58.4 | Low | 53.2 | Low | 144 Ų | 144 | 86.5 Ų | 86.5 | 67% | 0.673 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -65.7 | -27.1 | 178.1 | -65.3 | 171.5 | 125.1 | 0 | 0 | 111 | Q409 | E407-Q409 PolarHBondContact O-N 2.69Š|
| 408 | D | 50.3 | Low | 52.6 | Low | 115 Ų | 115 | 86.4 Ų | 86.4 | 62% | 0.615 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -66 | 97.4 | 165.2 | -66.4 | -48.9 | 0 | 0 | 0 | 111.7 | N406 S410 T411 | N406-D408 PolarHBondContact O-N 3Å; D408-S410 PolarHBondContact O-N 3.08Å; D408-T411 PolarHBondContact O-N 2.77Å; D408-T411 VanDerWaalsContact O-N 3.13Å |
| 409 | Q | 51.6 | Low | 51.9 | Low | 190 Ų | 190 | 88.8 Ų | 88.8 | 89% | 0.888 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -10.5 | 179.8 | -57.9 | -173.9 | 14.6 | 0 | 0 | 115.2 | E407 | E407-Q409 PolarHBondContact O-N 2.69Š|
| 410 | S | 50.4 | Low | 51.1 | Low | 100 Ų | 100 | 92 Ų | 92 | 70% | 0.699 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -24.6 | 178.7 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | D408 | D408-S410 PolarHBondContact O-N 3.08Š|
| 411 | T | 47.1 | Very low | 49.9 | Very low | 75 Ų | 75 | 97.1 Ų | 97.1 | 46% | 0.46 | 51% | 0.511 | S | S | . | . | | | trans | -144.7 | 50.8 | -163.8 | 53.6 | 0 | 0 | 0 | 0 | 115.4 | N406 D408 M413 | N406-T411 PolarHBondContact ND2-O 2.77Å; D408-T411 PolarHBondContact O-N 2.77Å; D408-T411 VanDerWaalsContact O-N 3.13Å; T411-M413 PolarHBondContact O-N 3.07Å |
| 412 | N | 48.6 | Very low | 48.4 | Very low | 75 Ų | 75 | 104.3 Ų | 104.3 | 40% | 0.401 | 54% | 0.537 | S | S | . | . | | | trans | -68.2 | 115.4 | 166.6 | -74.6 | -29.5 | 0 | 0 | 0 | 110.7 | F405 N406 | F405-N412 WeakPolarHBondContact CA-OD1 3.35Å; N406-N412 PolarHBondContact N-OD1 2.9Å; N406-N412 PolarHBondContact O-OD1 3.44Å |
| 413 | M | 40.2 | Very low | 46.9 | Very low | 129 Ų | 129 | 108.3 Ų | 108.3 | 64% | 0.635 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 134 | -178.4 | -63.1 | -143.1 | -56.5 | 0 | 0 | 111.9 | Q404 T411 | Q404-M413 PolarHBondContact N-O 2.88Å; Q404-M413 PolarHBondContact O-N 3.02Å; T411-M413 PolarHBondContact O-N 3.07Å |
| 414 | V | 47.9 | Very low | 45.2 | Very low | 82 Ų | 82 | 116.3 Ų | 116.3 | 50% | 0.497 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.1 | 170.8 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | F401 I403 | F401-V414 HydrophobicContact CD2-CG1 3.99Å; I403-V414 HydrophobicContact CG1-CG2 4.38Å |
| 415 | A | 45.1 | Very low | 43.8 | Very low | 37 Ų | 37 | 121.5 Ų | 121.5 | 31% | 0.306 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.2 | 113.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110 | T402 E417 | T402-A415 PolarHBondContact N-O 3.1Å; T402-A415 VanDerWaalsContact N-O 3.1Å; T402-A415 PolarHBondContact O-N 3.42Å; A415-E417 PolarHBondContact O-N 3.25Å |
| 416 | I | 38.5 | Very low | 42.1 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 71% | 0.713 | 65% | 0.647 | S | S | * | * | | | trans | -90.3 | 81.8 | 171.4 | -52.8 | 177.9 | 0 | 0 | 0 | 108.1 | K418 | I416-K418 PolarHBondContact O-N 2.87Å; I416-K418 VanDerWaalsContact O-N 3.1Å |
| 417 | E | 41.1 | Very low | 40.8 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 68% | 0.682 | 67% | 0.672 | S | S | * | * | | | trans | -75.6 | 94.6 | 169.4 | -69.3 | -168.4 | 164.9 | 0 | 0 | 109.5 | A415 E419 | A415-E417 PolarHBondContact O-N 3.25Å; E417-E419 PolarHBondContact O-N 3.04Å |
| 418 | K | 39.6 | Very low | 39.5 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 77% | 0.77 | 68% | 0.684 | S | S | * | * | | | trans | -61.2 | 103.1 | 169.3 | -168.2 | 171.1 | -169.9 | 168.2 | 0 | 107.9 | I416 S420 | I416-K418 PolarHBondContact O-N 2.87Å; I416-K418 VanDerWaalsContact O-N 3.1Å; K418-S420 PolarHBondContact O-N 3.14Å |
| 419 | E | 37.6 | Very low | 38.7 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 55% | 0.547 | 69% | 0.693 | S | S | . | * | | | trans | -67 | 80.6 | -176.4 | -167.7 | 166.1 | 168.8 | 0 | 0 | 110.3 | R370 E417 T421 | R370-E419 IonicContact NH2-OE2 2.85Å; R370-E419 PolarHBondContact NH2-OE2 3.16Å; E417-E419 PolarHBondContact O-N 3.04Å; E419-T421 PolarHBondContact O-N 2.9Å |
| 420 | S | 38.4 | Very low | 37.8 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | | | trans | -58.8 | 121 | 177.6 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | K418 R422 | K418-S420 PolarHBondContact O-N 3.14Å; S420-R422 PolarHBondContact O-N 2.94Å |
| 421 | T | 37 | Very low | 36.9 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 72% | 0.718 | 70% | 0.697 | S | S | * | * | | | trans | -42.4 | 105.5 | -173.2 | 46.3 | 0 | 0 | 0 | 0 | 110.6 | E419 S423 | E419-T421 PolarHBondContact O-N 2.9Å; T421-S423 PolarHBondContact O-N 3.22Å; T421-S423 VanDerWaalsContact O-N 3.1Å |
| 422 | R | 32.2 | Very low | 36.4 | Very low | 203 Ų | 203 | 146.1 Ų | 146.1 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | | | trans | -51.2 | 120.3 | -174.5 | -158 | -179.8 | -164 | -169.8 | 7.4 | 108.1 | S420 Y424 | S420-R422 PolarHBondContact O-N 2.94Å; R422-Y424 VanDerWaalsContact O-CD2 3.27Å; R422-Y424 WeakPolarHBondContact O-CD2 3.42Å; R422-Y424 PolarHBondContact O-N 2.94Å |
| 423 | S | 28.4 | Very low | 35.8 | Very low | 115 Ų | 115 | 150.7 Ų | 150.7 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | | | trans | -73.7 | 75.7 | -167.6 | 45.9 | 0 | 0 | 0 | 0 | 111.8 | T421 Q425 | T421-S423 PolarHBondContact O-N 3.22Å; T421-S423 VanDerWaalsContact O-N 3.1Å; S423-Q425 PolarHBondContact O-N 2.71Å |
| 424 | Y | 31.2 | Very low | 35.5 | Very low | 201 Ų | 201 | 151 Ų | 151 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | | | trans | -48.7 | 137.1 | 165.5 | -76.9 | -79.6 | 0 | 0 | 0 | 109.1 | R422 R426 | R422-Y424 VanDerWaalsContact O-CD2 3.27Å; R422-Y424 WeakPolarHBondContact O-CD2 3.42Å; R422-Y424 PolarHBondContact O-N 2.94Å; Y424-R426 PolarHBondContact O-N 3.1Å |
| 425 | Q | 30.3 | Very low | 34.9 | Very low | 172 Ų | 172 | 151.8 Ų | 151.8 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | -47.6 | 124.9 | -155.6 | -65.5 | 172.5 | -10.1 | 0 | 0 | 112.2 | S423 L427 | S423-Q425 PolarHBondContact O-N 2.71Å; Q425-L427 PolarHBondContact O-N 3.38Å |
| 426 | R | 28.5 | Very low | 34.4 | Very low | 246 Ų | 246 | 154.7 Ų | 154.7 | 93% | 0.928 | 77% | 0.768 | S | S | * | * | | | trans | -58.8 | 94.5 | 157.5 | -100.8 | -174.5 | 172.7 | 167.7 | -0.7 | 107.2 | Y424 R428 | Y424-R426 PolarHBondContact O-N 3.1Å; R426-R428 PolarHBondContact O-N 3.32Å; R426-R428 VanDerWaalsContact O-N 3.08Å |
| 427 | L | 34 | Very low | 33.9 | Very low | 137 Ų | 137 | 154.2 Ų | 154.2 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | | | trans | -49.2 | 119 | 164.6 | -81.7 | 167.3 | 0 | 0 | 0 | 106.7 | Q425 M429 | Q425-L427 PolarHBondContact O-N 3.38Å; L427-M429 PolarHBondContact O-N 3.5Å |
| 428 | R | 31.3 | Very low | 33.7 | Very low | 243 Ų | 243 | 153.7 Ų | 153.7 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | | | trans | -72.9 | 74.7 | -179 | -73.3 | -176.9 | 174.4 | 178.7 | -1.2 | 109.2 | R426 A430 | R426-R428 PolarHBondContact O-N 3.32Å; R426-R428 VanDerWaalsContact O-N 3.08Å; R428-A430 PolarHBondContact O-N 3.1Å; R428-A430 VanDerWaalsContact O-N 3.07Å |
| 429 | M | 33.6 | Very low | 33.4 | Very low | 164 Ų | 164 | 154.9 Ų | 154.9 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | | | trans | -55.1 | 115.9 | 163 | -73.3 | -62.3 | 167.9 | 0 | 0 | 107.4 | L427 R431 | L427-M429 PolarHBondContact O-N 3.5Å; M429-R431 PolarHBondContact O-N 2.94Å |
| 430 | A | 32.1 | Very low | 33.5 | Very low | 90 Ų | 90 | 158.4 Ų | 158.4 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | | | trans | -65.2 | 109.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 109 | R428 V432 | R428-A430 PolarHBondContact O-N 3.1Å; R428-A430 VanDerWaalsContact O-N 3.07Å; A430-V432 PolarHBondContact O-N 3.48Å |
| 431 | R | 32.5 | Very low | 33.1 | Very low | 248 Ų | 248 | 163.3 Ų | 163.3 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | | | trans | -68.2 | 96.9 | 177.7 | -159.9 | 176.7 | -160.4 | 167.5 | 5.5 | 108.2 | M429 K433 | M429-R431 PolarHBondContact O-N 2.94Å; R431-K433 PolarHBondContact O-N 2.9Å |
| 432 | V | 36.2 | Very low | 33.2 | Very low | 130 Ų | 130 | 164.9 Ų | 164.9 | 79% | 0.788 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 124.1 | 178.5 | 178 | 0 | 0 | 0 | 0 | 108.5 | A430 P434 | A430-V432 PolarHBondContact O-N 3.48Å; V432-P434 WeakPolarHBondContact O-CD 3.44Å |
| 433 | K | 36.8 | Very low | 33.5 | Very low | 170 Ų | 170 | 159.8 Ų | 159.8 | 74% | 0.739 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 119.6 | 177 | -70.5 | -177.6 | 177.8 | -179.6 | 0 | 108.9 | R431 S435 | R431-K433 PolarHBondContact O-N 2.9Å; K433-S435 PolarHBondContact O-N 3.21Å; K433-S435 VanDerWaalsContact O-N 3.08Å; K433-S435 PolarHBondContact O-OG 2.86Å |
| 434 | P | 32.9 | Very low | 33.6 | Very low | 135 Ų | 135 | 164.4 Ų | 164.4 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 116.3 | 164.4 | 27.2 | -32.3 | 0 | 0 | 0 | 107.4 | V432 | V432-P434 WeakPolarHBondContact O-CD 3.44Š|
| 435 | S | 34.9 | Very low | 33.9 | Very low | 99 Ų | 99 | 159.5 Ų | 159.5 | 69% | 0.692 | 83% | 0.829 | S | S | * | * | | | trans | -116.5 | 121.6 | -166.2 | -63.3 | 0 | 0 | 0 | 0 | 110.8 | K433 | K433-S435 PolarHBondContact O-N 3.21Å; K433-S435 VanDerWaalsContact O-N 3.08Å; K433-S435 PolarHBondContact O-OG 2.86Å |
| 436 | S | 34.6 | Very low | 34.5 | Very low | 98 Ų | 98 | 160.8 Ų | 160.8 | 69% | 0.685 | 83% | 0.832 | S | S | * | * | | | trans | 52.4 | 102.8 | 167 | -167.6 | 0 | 0 | 0 | 0 | 117.8 | T438 | S436-T438 PolarHBondContact O-N 2.99Š|
| 437 | T | 29.8 | Very low | 34.5 | Very low | 129 Ų | 129 | 155 Ų | 155 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | | | trans | -14 | 125.5 | 139.9 | 51 | 0 | 0 | 0 | 0 | 115.8 | | |
| 438 | T | 36.3 | Very low | 34.7 | Very low | 136 Ų | 136 | 154 Ų | 154 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | | | trans | -122.3 | 128.9 | 160.3 | -51.6 | 0 | 0 | 0 | 0 | 108.1 | S436 | S436-T438 PolarHBondContact O-N 2.99Š|
| 439 | K | 33.1 | Very low | 35.1 | Very low | 202 Ų | 202 | 150.3 Ų | 150.3 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | | | trans | -81.1 | 126.2 | -169.8 | -60.2 | 177.8 | -177.3 | 178.8 | 0 | 111.3 | | |
| 440 | M | 38.4 | Very low | 35.2 | Very low | 191 Ų | 191 | 150.8 Ų | 150.8 | 94% | 0.941 | 82% | 0.819 | S | S | * | * | | | trans | -97.5 | 156.6 | 155.6 | -68 | -156.5 | 75.3 | 0 | 0 | 110.6 | | |
| 441 | K | 31.7 | Very low | 35.3 | Very low | 204 Ų | 204 | 152.6 Ų | 152.6 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | | | trans | -129.5 | 102.9 | -156.2 | 176.9 | -170.2 | 176.6 | -171.9 | 0 | 109.9 | | |
| 442 | V | 38.7 | Very low | 35.5 | Very low | 149 Ų | 149 | 146 Ų | 146 | 90% | 0.903 | 81% | 0.81 | S | S | * | * | | | trans | -115.5 | 154.4 | 173.2 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 443 | A | 37.3 | Very low | 35.2 | Very low | 97 Ų | 97 | 144 Ų | 144 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | trans | -84.9 | 161.3 | -156.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 444 | K | 31.7 | Very low | 35.4 | Very low | 212 Ų | 212 | 146.3 Ų | 146.3 | 92% | 0.922 | 82% | 0.816 | S | S | * | * | | | trans | -74.3 | 135.2 | 174.2 | -70 | -179.8 | 172.7 | -176.9 | 0 | 112 | | |
| 445 | A | 37 | Very low | 35.4 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | trans | -111.2 | 168.7 | 143.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 446 | K | 42.1 | Very low | 35.5 | Very low | 199 Ų | 199 | 148 Ų | 148 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | | | trans | -103.2 | 147.4 | -173 | -61.8 | 178.1 | -177.3 | 176 | 0 | 112 | | |
| 447 | P | 29.5 | Very low | 35.4 | Very low | 123 Ų | 123 | 148.9 Ų | 148.9 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | | | trans | -86.6 | 127 | 171.6 | 33.4 | -31 | 0 | 0 | 0 | 112.1 | | |
| 448 | V | 38.3 | Very low | 35.6 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 70% | 0.703 | 83% | 0.825 | S | S | * | * | | | trans | -163.2 | 133.4 | 178 | 166 | 0 | 0 | 0 | 0 | 106.3 | | |
| 449 | E | 39.6 | Very low | 35.5 | Very low | 167 Ų | 167 | 152 Ų | 152 | 78% | 0.78 | 82% | 0.824 | S | S | * | * | | | cis | -143.5 | -109.4 | -11.8 | -141 | 76.4 | -84.8 | 0 | 0 | 109.9 | | |
| 450 | E | 34.7 | Very low | 35.8 | Very low | 174 Ų | 174 | 148.9 Ų | 148.9 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | | | trans | -128.4 | 140.8 | -172.8 | -62.7 | -172.6 | 131.9 | 0 | 0 | 115.1 | | |
| 451 | V | 35.9 | Very low | 35.8 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | | | | 48.7 | 136.1 | 125.2 | -178.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 452 | P | 35.1 | Very low | 36.3 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | | | cis | -144.4 | -174.8 | -29.8 | 42 | -21.7 | 0 | 0 | 0 | 115.6 | | |
| 453 | A | 30.4 | Very low | 36.3 | Very low | 87 Ų | 87 | 142.1 Ų | 142.1 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | | | trans | 54.1 | 103.3 | 144.6 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 454 | K | 41.1 | Very low | 36.3 | Very low | 219 Ų | 219 | 144.8 Ų | 144.8 | 95% | 0.952 | 80% | 0.799 | S | S | * | * | | | | -165 | 156.1 | 114.3 | -103.7 | 159 | -172.6 | 175.2 | 0 | 111.2 | | |
| 455 | A | 32.2 | Very low | 36.5 | Very low | 93 Ų | 93 | 141.8 Ų | 141.8 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -93.1 | 146.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 456 | L | 37.2 | Very low | 36.3 | Very low | 177 Ų | 177 | 142.3 Ų | 142.3 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | | | trans | -148.7 | 161.1 | 133.2 | -144.1 | 75.4 | 0 | 0 | 0 | 109.7 | | |
| 457 | V | 33 | Very low | 36 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 70% | 0.697 | 79% | 0.79 | S | S | * | * | | | trans | -103.8 | 146.8 | -170.4 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 458 | N | 35 | Very low | 36.3 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | | | trans | -171.3 | 150.8 | 133 | -93.6 | -5.4 | 0 | 0 | 0 | 111.1 | | |
| 459 | E | 33.7 | Very low | 36.1 | Very low | 174 Ų | 174 | 140 Ų | 140 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | trans | -80.9 | 149.2 | -173.1 | -59.6 | 159.6 | 90.1 | 0 | 0 | 113.3 | | |
| 460 | T | 39.3 | Very low | 35.6 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | | | | -161.2 | 114.8 | 122.6 | 18 | 0 | 0 | 0 | 0 | 111.3 | | |
| 461 | V | 38.4 | Very low | 35.3 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | | | trans | 9.9 | 121.5 | 145.4 | -153.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 462 | D | 41.5 | Very low | 34.9 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | | | | -179.7 | 140.7 | 111.4 | -93.9 | -35.1 | 0 | 0 | 0 | 113.4 | | |
| 463 | D | 38.9 | Very low | 34.5 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | | | trans | 49.5 | 147.4 | 157 | -67.3 | -32.3 | 0 | 0 | 0 | 125.8 | | |
| 464 | D | 37.1 | Very low | 34.4 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | trans | 48.6 | 92 | 152.2 | -71.7 | -27.5 | 0 | 0 | 0 | 121.6 | | |
| 465 | D | 36.7 | Very low | 34 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | | -170.3 | 116.9 | 116.4 | -120.1 | -26.5 | 0 | 0 | 0 | 112.4 | V467 | D465-V467 PolarHBondContact O-N 2.74Š|
| 466 | A | 32.7 | Very low | 33.9 | Very low | 109 Ų | 109 | 139 Ų | 139 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | | | trans | -97.9 | 71.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 467 | V | 35 | Very low | 33.6 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | | | trans | -131.7 | 144.1 | 173.1 | -70.3 | 0 | 0 | 0 | 0 | 111.5 | D465 | D465-V467 PolarHBondContact O-N 2.74Š|
| 468 | S | 36 | Very low | 33.5 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | 65.2 | 168 | -169.5 | -127 | 0 | 0 | 0 | 0 | 113.1 | | |
| 469 | E | 35.2 | Very low | 33.3 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | | | cis | -144.2 | 174.7 | 1.3 | -159.9 | 138.8 | 126.8 | 0 | 0 | 111.3 | G471 | E469-G471 PolarHBondContact O-N 2.95Š|
| 470 | C | 28.4 | Very low | 33.1 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | | | trans | -74.7 | 87.1 | 178.3 | -63.5 | 0 | 0 | 0 | 0 | 112.8 | T472 | C470-T472 PolarHBondContact O-N 3.23Š|
| 471 | G | 28.6 | Very low | 32.6 | Very low | 62 Ų | 62 | 143.1 Ų | 143.1 | 64% | 0.639 | 81% | 0.805 | S | S | * | * | | | trans | -86 | 98.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | E469 Y473 | E469-G471 PolarHBondContact O-N 2.95Å; G471-Y473 PolarHBondContact O-N 3.49Å |
| 472 | T | 26.9 | Very low | 32.1 | Very low | 141 Ų | 141 | 142 Ų | 142 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | | | trans | -76.7 | 106.8 | 165.5 | 48.3 | 0 | 0 | 0 | 0 | 110.4 | C470 | C470-T472 PolarHBondContact O-N 3.23Š|
| 473 | Y | 28.2 | Very low | 31.6 | Very low | 210 Ų | 210 | 144.3 Ų | 144.3 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | | | trans | -109.6 | 112.8 | 169.4 | -91.7 | -90.5 | 0 | 0 | 0 | 111.1 | G471 | G471-Y473 PolarHBondContact O-N 3.49Š|
| 474 | T | 27.4 | Very low | 31.3 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | | | trans | -71.4 | 132 | 156.1 | 46.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 475 | V | 31.9 | Very low | 31 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 80% | 0.8 | 82% | 0.82 | S | S | * | * | | | trans | -129.7 | 136 | 163 | -179.9 | 0 | 0 | 0 | 0 | 106 | | |
| 476 | D | 30.7 | Very low | 30.6 | Very low | 151 Ų | 151 | 148.6 Ų | 148.6 | 81% | 0.807 | 82% | 0.822 | S | S | * | * | | | trans | -71.6 | 179.9 | -163.3 | -67.7 | -75.2 | 0 | 0 | 0 | 115.4 | | |
| 477 | E | 30.3 | Very low | 30.6 | Very low | 182 Ų | 182 | 151 Ų | 151 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | | | trans | -71.1 | -167 | -170.9 | -57.3 | -179.1 | 94.9 | 0 | 0 | 114.1 | | |
| 478 | E | 31 | Very low | 30.4 | Very low | 187 Ų | 187 | 157.1 Ų | 157.1 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | | | trans | 75.3 | 50.7 | 170.8 | -50.2 | -158.6 | 138.6 | 0 | 0 | 118 | | |
| 479 | C | 32.2 | Very low | 30.1 | Very low | 139 Ų | 139 | 158.1 Ų | 158.1 | 94% | 0.939 | 84% | 0.839 | S | S | * | * | | | trans | -132.5 | 48 | 152.1 | -96.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 480 | S | 28.5 | Very low | 29.9 | Very low | 108 Ų | 108 | 153.3 Ų | 153.3 | 76% | 0.755 | 84% | 0.835 | S | S | * | * | | | trans | -72.6 | 125.4 | 168.8 | -66.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 481 | Y | 28.4 | Very low | 30.2 | Very low | 232 Ų | 232 | 152.6 Ų | 152.6 | 91% | 0.91 | 82% | 0.823 | S | S | * | * | | | | -163.6 | 134.8 | 125.8 | -115.3 | -73.6 | 0 | 0 | 0 | 112.7 | | |
| 482 | A | 28.4 | Very low | 30.8 | Very low | 96 Ų | 96 | 152.3 Ų | 152.3 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | | | trans | -76.1 | 134.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 483 | K | 30.7 | Very low | 31.6 | Very low | 189 Ų | 189 | 148.5 Ų | 148.5 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | -152.2 | 149.3 | 150.9 | -136.1 | 163.8 | -173.4 | 168.4 | 0 | 110.4 | | |
| 484 | N | 34 | Very low | 32.7 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 71.6 | 19.8 | 175.7 | -48.8 | -16.9 | 0 | 0 | 0 | 117.8 | | |
| 485 | Q | 30.6 | Very low | 34.3 | Very low | 193 Ų | 193 | 143 Ų | 143 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | | | trans | -117.2 | 82.5 | 159.7 | -74.9 | -162.3 | 55.3 | 0 | 0 | 111 | | |
| 486 | Q | 27.7 | Very low | 35.8 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -151.3 | 147.8 | 163.8 | -110.9 | 178.1 | -4.4 | 0 | 0 | 108.9 | | |
| 487 | L | 33.3 | Very low | 37.4 | Very low | 160 Ų | 160 | 142 Ų | 142 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 64 | 49 | 173.6 | -63.5 | 161.3 | 0 | 0 | 0 | 116.5 | | |
| 488 | Y | 30.8 | Very low | 39.2 | Very low | 242 Ų | 242 | 135.5 Ų | 135.5 | 95% | 0.949 | 73% | 0.733 | S | S | * | * | | | trans | -120.4 | 45 | 150 | -102.3 | -82.6 | 0 | 0 | 0 | 111.5 | | |
| 489 | S | 29 | Very low | 40.9 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 87% | 0.874 | 71% | 0.71 | S | S | * | * | | | trans | -133.1 | 76.5 | 174.2 | -56.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 490 | G | 31.9 | Very low | 42.6 | Very low | 71 Ų | 71 | 127.5 Ų | 127.5 | 73% | 0.732 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -154.4 | 149.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | G492 | G490-G492 PolarHBondContact O-N 2.99Š|
| 491 | D | 34.5 | Very low | 44.6 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 60% | 0.599 | 68% | 0.678 | S | S | * | * | | | trans | -75.1 | 94.5 | -165 | -160.7 | -39 | 0 | 0 | 0 | 113.1 | S493 D494 | D491-S493 PolarHBondContact O-N 3.41Å; D491-S493 VanDerWaalsContact O-N 3.08Å; D491-S493 WeakPolarHBondContact OD1-CB 3.47Å; D491-S493 PolarHBondContact OD1-N 3.2Å; D491-S493 PolarHBondContact OD1-OG 2.89Å; D491-D494 PolarHBondContact O-N 3.41Å |
| 492 | G | 39.9 | Very low | 46.4 | Very low | 56 Ų | 56 | 121.4 Ų | 121.4 | 58% | 0.577 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.8 | -1.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G490 | G490-G492 PolarHBondContact O-N 2.99Å |
| 493 | S | 45.4 | Very low | 48 | Very low | 62 Ų | 62 | 119.4 Ų | 119.4 | 43% | 0.434 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -77.1 | -35.5 | 172.6 | 76.5 | 0 | 0 | 0 | 0 | 112 | D491 R496 N497 | D491-S493 PolarHBondContact O-N 3.41Å; D491-S493 VanDerWaalsContact O-N 3.08Å; D491-S493 WeakPolarHBondContact OD1-CB 3.47Å; D491-S493 PolarHBondContact OD1-N 3.2Å; D491-S493 PolarHBondContact OD1-OG 2.89Å; S493-R496 PolarHBondContact O-N 3.4Å; S493-N497 PolarHBondContact O-N 3.22Å; S493-N497 VanDerWaalsContact O-N 3.09Å; S493-N497 PolarHBondContact O-ND2 3.24Å |
| 494 | D | 50.5 | Low | 49.9 | Very low | 104 Ų | 104 | 115.4 Ų | 115.4 | 56% | 0.556 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.5 | -40 | -177.2 | -97.9 | -27.7 | 0 | 0 | 0 | 112.6 | D491 R496 N497 A498 | D491-D494 PolarHBondContact O-N 3.41Å; D494-R496 VanDerWaalsContact C-N 3.27Å; D494-R496 PolarHBondContact O-N 3.49Å; D494-N497 CarbonylContact O-C 3.58Å; D494-N497 PolarHBondContact O-N 2.69Å; D494-N497 VanDerWaalsContact O-N 3.12Å; D494-A498 WeakPolarHBondContact O-CB 3.28Å; D494-A498 PolarHBondContact O-N 3.44Å |
| 495 | D | 61.6 | Low | 51.4 | Low | 122 Ų | 122 | 111.9 Ų | 111.9 | 65% | 0.652 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.2 | -39.1 | 174.4 | -96.9 | -18.4 | 0 | 0 | 0 | 111.9 | A498 L499 | D495-A498 PolarHBondContact O-N 2.94Å; D495-L499 WeakPolarHBondContact O-CB 3.24Å; D495-L499 PolarHBondContact O-N 3.41Å |
| 496 | R | 61.7 | Low | 52.9 | Low | 184 Ų | 184 | 106.8 Ų | 106.8 | 69% | 0.694 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.7 | -42.1 | 175.1 | -177.7 | 176.7 | 177 | 176.3 | -0.5 | 111.4 | S493 D494 L499 L500 | S493-R496 PolarHBondContact O-N 3.4Å; D494-R496 VanDerWaalsContact C-N 3.27Å; D494-R496 PolarHBondContact O-N 3.49Å; R496-L499 PolarHBondContact O-N 2.98Å; R496-L500 HydrophobicContact CG-CD1 4.05Å; R496-L500 VanDerWaalsContact O-CD1 3.29Å; R496-L500 WeakPolarHBondContact O-CD1 3.43Å; R496-L500 PolarHBondContact O-N 3.11Å |
| 497 | N | 65.8 | Low | 54.3 | Low | 78 Ų | 78 | 101.2 Ų | 101.2 | 42% | 0.417 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.6 | -33.9 | 176.4 | -77.8 | -37.7 | 0 | 0 | 0 | 112.4 | S493 D494 K501 | S493-N497 PolarHBondContact O-N 3.22Å; S493-N497 VanDerWaalsContact O-N 3.09Å; S493-N497 PolarHBondContact O-ND2 3.24Å; D494-N497 CarbonylContact O-C 3.58Å; D494-N497 PolarHBondContact O-N 2.69Å; D494-N497 VanDerWaalsContact O-N 3.12Å; N497-K501 WeakPolarHBondContact O-CB 3.49Å; N497-K501 VanDerWaalsContact O-CG 3.22Å; N497-K501 WeakPolarHBondContact O-CG 3.26Å; N497-K501 PolarHBondContact O-N 3.28Å |
| 498 | A | 68.3 | Low | 55.3 | Low | 46 Ų | 46 | 97.5 Ų | 97.5 | 38% | 0.38 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.6 | -45.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D494 D495 L500 K501 E502 | D494-A498 WeakPolarHBondContact O-CB 3.28Å; D494-A498 PolarHBondContact O-N 3.44Å; D495-A498 PolarHBondContact O-N 2.94Å; A498-L500 PolarHBondContact O-N 2.92Å; A498-K501 PolarHBondContact O-N 2.62Å; A498-E502 WeakPolarHBondContact O-CG 3.47Å; A498-E502 PolarHBondContact O-N 2.98Å |
| 499 | L | 66.1 | Low | 55.8 | Low | 73 Ų | 73 | 89 Ų | 89 | 38% | 0.382 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 173.1 | -99.8 | 160.4 | 0 | 0 | 0 | 112.4 | D495 R496 L503 I755 | D495-L499 WeakPolarHBondContact O-CB 3.24Å; D495-L499 PolarHBondContact O-N 3.41Å; R496-L499 PolarHBondContact O-N 2.98Å; L499-L503 VanDerWaalsContact O-CB 3.27Å; L499-L503 WeakPolarHBondContact O-CB 3.36Å; L499-L503 WeakPolarHBondContact O-CG 3.3Å; L499-L503 PolarHBondContact O-N 2.85Å; L499-I755 HydrophobicContact CD2-CG2 4.49Å |
| 500 | L | 68.6 | Low | 56.6 | Low | 84 Ų | 84 | 86.7 Ų | 86.7 | 44% | 0.44 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 172.2 | -99 | 87.3 | 0 | 0 | 0 | 111.8 | R496 A498 L503 I504 | R496-L500 HydrophobicContact CG-CD1 4.05Å; R496-L500 VanDerWaalsContact O-CD1 3.29Å; R496-L500 WeakPolarHBondContact O-CD1 3.43Å; R496-L500 PolarHBondContact O-N 3.11Å; A498-L500 PolarHBondContact O-N 2.92Å; L500-L503 PolarHBondContact O-N 3.29Å; L500-I504 WeakPolarHBondContact O-CB 3.27Å; L500-I504 WeakPolarHBondContact O-CD1 3.17Å; L500-I504 WeakPolarHBondContact O-CG1 3.36Å; L500-I504 PolarHBondContact O-N 2.75Å |
| 501 | K | 69.3 | Low | 57.4 | Low | 134 Ų | 134 | 88.4 Ų | 88.4 | 58% | 0.583 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.6 | -43.6 | 177.9 | -77.4 | 167.2 | -178.1 | 171.6 | 0 | 111.9 | N497 A498 I504 K505 | N497-K501 WeakPolarHBondContact O-CB 3.49Å; N497-K501 VanDerWaalsContact O-CG 3.22Å; N497-K501 WeakPolarHBondContact O-CG 3.26Å; N497-K501 PolarHBondContact O-N 3.28Å; A498-K501 PolarHBondContact O-N 2.62Å; K501-I504 PolarHBondContact O-N 3.04Å; K501-K505 WeakPolarHBondContact O-CG 3.38Å; K501-K505 PolarHBondContact O-N 3.29Å |
| 502 | E | 67 | Low | 58.3 | Low | 78 Ų | 78 | 87.9 Ų | 87.9 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.9 | -41.6 | 175.2 | -66.8 | -64.4 | 124.9 | 0 | 0 | 111.8 | A498 I504 K505 I506 | A498-E502 WeakPolarHBondContact O-CG 3.47Å; A498-E502 PolarHBondContact O-N 2.98Å; E502-I504 VanDerWaalsContact C-N 3.27Å; E502-I504 PolarHBondContact O-N 2.73Å; E502-K505 PolarHBondContact O-N 2.97Å; E502-K505 WeakPolarHBondContact OE1-CE 3.5Å; E502-K505 IonicContact OE1-NZ 2.69Å; E502-K505 PolarHBondContact OE1-NZ 2.8Å; E502-I506 WeakPolarHBondContact O-CB 3.45Å; E502-I506 WeakPolarHBondContact O-CD1 3.4Å; E502-I506 VanDerWaalsContact O-CG1 3.24Å; E502-I506 WeakPolarHBondContact O-CG1 3.41Å; E502-I506 PolarHBondContact O-N 2.92Å |
| 503 | L | 61.8 | Low | 58.5 | Low | 54 Ų | 54 | 87.6 Ų | 87.6 | 28% | 0.283 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -33.3 | 172.8 | -82 | 166.9 | 0 | 0 | 0 | 112.6 | L499 L500 S507 I755 M759 | L499-L503 VanDerWaalsContact O-CB 3.27Å; L499-L503 WeakPolarHBondContact O-CB 3.36Å; L499-L503 WeakPolarHBondContact O-CG 3.3Å; L499-L503 PolarHBondContact O-N 2.85Å; L500-L503 PolarHBondContact O-N 3.29Å; L503-S507 WeakPolarHBondContact O-CB 3.19Å; L503-S507 PolarHBondContact O-N 2.99Å; L503-I755 HydrophobicContact CD2-CG2 4.13Å; L503-M759 HydrophobicContact CD1-SD 4.27Å |
| 504 | I | 70.8 | Confident | 58.3 | Low | 106 Ų | 106 | 88.2 Ų | 88.2 | 54% | 0.544 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.8 | -44.8 | 174.4 | -72.5 | 163.3 | 0 | 0 | 0 | 110.7 | L500 K501 E502 I506 S507 S508 | L500-I504 WeakPolarHBondContact O-CB 3.27Å; L500-I504 WeakPolarHBondContact O-CD1 3.17Å; L500-I504 WeakPolarHBondContact O-CG1 3.36Å; L500-I504 PolarHBondContact O-N 2.75Å; K501-I504 PolarHBondContact O-N 3.04Å; E502-I504 VanDerWaalsContact C-N 3.27Å; E502-I504 PolarHBondContact O-N 2.73Å; I504-I506 VanDerWaalsContact C-N 3.34Å; I504-I506 PolarHBondContact O-N 3.18Å; I504-S507 CarbonylContact O-C 3.59Å; I504-S507 WeakPolarHBondContact O-CA 3.5Å; I504-S507 VanDerWaalsContact O-CB 3.29Å; I504-S507 WeakPolarHBondContact O-CB 3.36Å; I504-S507 PolarHBondContact O-N 2.93Å; I504-S508 PolarHBondContact O-N 2.82Å; I504-S508 PolarHBondContact O-OG 2.86Å |
| 505 | K | 64.6 | Low | 57.8 | Low | 85 Ų | 85 | 86.8 Ų | 86.8 | 37% | 0.37 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.5 | -44.1 | 173.7 | -69.7 | 171.8 | -172.8 | 177.3 | 0 | 112.4 | K501 E502 S507 S508 | K501-K505 WeakPolarHBondContact O-CG 3.38Å; K501-K505 PolarHBondContact O-N 3.29Å; E502-K505 PolarHBondContact O-N 2.97Å; E502-K505 WeakPolarHBondContact OE1-CE 3.5Å; E502-K505 IonicContact OE1-NZ 2.69Å; E502-K505 PolarHBondContact OE1-NZ 2.8Å; K505-S507 VanDerWaalsContact C-N 3.25Å; K505-S507 PolarHBondContact O-N 3.08Å; K505-S508 PolarHBondContact O-N 2.89Å; K505-S508 PolarHBondContact O-OG 2.86Å |
| 506 | I | 62.6 | Low | 56.8 | Low | 85 Ų | 85 | 88.8 Ų | 88.8 | 44% | 0.436 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.5 | -30.9 | 174.3 | -63.5 | 164 | 0 | 0 | 0 | 110.4 | E502 I504 I755 | E502-I506 WeakPolarHBondContact O-CB 3.45Å; E502-I506 WeakPolarHBondContact O-CD1 3.4Å; E502-I506 VanDerWaalsContact O-CG1 3.24Å; E502-I506 WeakPolarHBondContact O-CG1 3.41Å; E502-I506 PolarHBondContact O-N 2.92Å; I504-I506 VanDerWaalsContact C-N 3.34Å; I504-I506 PolarHBondContact O-N 3.18Å; I506-I755 HydrophobicContact CD1-CD1 4.28Å |
| 507 | S | 57.8 | Low | 55.9 | Low | 64 Ų | 64 | 88.7 Ų | 88.7 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -76.3 | -27.1 | 175.8 | -160.1 | 0 | 0 | 0 | 0 | 114.5 | L503 I504 K505 G509 R691 | L503-S507 WeakPolarHBondContact O-CB 3.19Å; L503-S507 PolarHBondContact O-N 2.99Å; I504-S507 CarbonylContact O-C 3.59Å; I504-S507 WeakPolarHBondContact O-CA 3.5Å; I504-S507 VanDerWaalsContact O-CB 3.29Å; I504-S507 WeakPolarHBondContact O-CB 3.36Å; I504-S507 PolarHBondContact O-N 2.93Å; K505-S507 VanDerWaalsContact C-N 3.25Å; K505-S507 PolarHBondContact O-N 3.08Å; S507-G509 VanDerWaalsContact C-N 3.27Å; S507-R691 PolarHBondContact OG-NH1 2.89Å |
| 508 | S | 53.3 | Low | 54.4 | Low | 83 Ų | 83 | 96 Ų | 96 | 58% | 0.58 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -0.8 | 179.1 | 58.7 | 0 | 0 | 0 | 0 | 113 | I504 K505 D510 | I504-S508 PolarHBondContact O-N 2.82Å; I504-S508 PolarHBondContact O-OG 2.86Å; K505-S508 PolarHBondContact O-N 2.89Å; K505-S508 PolarHBondContact O-OG 2.86Å; S508-D510 PolarHBondContact O-N 3.31Å |
| 509 | G | 41.2 | Very low | 52.9 | Low | 62 Ų | 62 | 102.6 Ų | 102.6 | 64% | 0.639 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.6 | 17.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S507 P511 | S507-G509 VanDerWaalsContact C-N 3.27Å; G509-P511 VanDerWaalsContact O-CD 3.26Å; G509-P511 WeakPolarHBondContact O-CD 3.3Å |
| 510 | D | 45 | Very low | 51.2 | Low | 78 Ų | 78 | 108.7 Ų | 108.7 | 42% | 0.417 | 58% | 0.579 | S | S | . | * | | | trans | -79.5 | 110.3 | -175.5 | -172.9 | -20.2 | 0 | 0 | 0 | 110.7 | S508 T512 | S508-D510 PolarHBondContact O-N 3.31Å; D510-T512 VanDerWaalsContact C-N 3.28Å; D510-T512 PolarHBondContact O-N 2.82Å; D510-T512 WeakPolarHBondContact OD1-CB 3.37Å; D510-T512 WeakPolarHBondContact OD1-CG2 3.42Å; D510-T512 PolarHBondContact OD1-N 3.11Å; D510-T512 PolarHBondContact OD1-OG1 3.33Å |
| 511 | P | 50 | Low | 49.3 | Very low | 107 Ų | 107 | 111.1 Ų | 111.1 | 70% | 0.695 | 60% | 0.597 | S | S | * | * | | | trans | -77.5 | -13.7 | -175 | 33.9 | -36.2 | 0 | 0 | 0 | 113 | G509 | G509-P511 VanDerWaalsContact O-CD 3.26Å; G509-P511 WeakPolarHBondContact O-CD 3.3Å |
| 512 | T | 52.1 | Low | 47.6 | Very low | 100 Ų | 100 | 111.6 Ų | 111.6 | 61% | 0.613 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -73.5 | -44.8 | -165.6 | 64.4 | 0 | 0 | 0 | 0 | 112.5 | D510 A514 | D510-T512 VanDerWaalsContact C-N 3.28Å; D510-T512 PolarHBondContact O-N 2.82Å; D510-T512 WeakPolarHBondContact OD1-CB 3.37Å; D510-T512 WeakPolarHBondContact OD1-CG2 3.42Å; D510-T512 PolarHBondContact OD1-N 3.11Å; D510-T512 PolarHBondContact OD1-OG1 3.33Å; T512-A514 PolarHBondContact O-N 3.47Å; T512-A514 VanDerWaalsContact O-N 3.12Å |
| 513 | S | 44.5 | Very low | 45.8 | Very low | 51 Ų | 51 | 110.7 Ų | 110.7 | 36% | 0.357 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -69.9 | -9.6 | -173.8 | 67.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 514 | A | 41.1 | Very low | 44.6 | Very low | 75 Ų | 75 | 114.5 Ų | 114.5 | 62% | 0.62 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -81.4 | -18.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T512 | T512-A514 PolarHBondContact O-N 3.47Å; T512-A514 VanDerWaalsContact O-N 3.12Å |
| 515 | A | 40.9 | Very low | 42.8 | Very low | 74 Ų | 74 | 118.8 Ų | 118.8 | 61% | 0.612 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -36.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K517 R518 | A515-K517 VanDerWaalsContact C-N 3.32Å; A515-K517 PolarHBondContact O-N 3.35Å; A515-R518 PolarHBondContact O-N 3Å |
| 516 | E | 40 | Very low | 41.1 | Very low | 164 Ų | 164 | 123.7 Ų | 123.7 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -65.7 | -28.1 | -163.2 | -160.4 | 173.7 | -154.4 | 0 | 0 | 114.2 | R518 | E516-R518 VanDerWaalsContact C-N 3.28Å; E516-R518 PolarHBondContact O-N 3.42Å |
| 517 | K | 42.2 | Very low | 39.4 | Very low | 181 Ų | 181 | 125.7 Ų | 125.7 | 79% | 0.787 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -79.9 | 5.9 | -179.9 | -76.9 | -174.6 | 176 | 176.6 | 0 | 115.4 | A515 | A515-K517 VanDerWaalsContact C-N 3.32Å; A515-K517 PolarHBondContact O-N 3.35Å |
| 518 | R | 36.2 | Very low | 38.1 | Very low | 232 Ų | 232 | 129.3 Ų | 129.3 | 88% | 0.875 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -98.7 | -1.5 | 178.5 | -84.1 | -170.7 | 160.7 | -159.9 | -7.2 | 115.8 | A515 E516 | A515-R518 PolarHBondContact O-N 3Å; E516-R518 VanDerWaalsContact C-N 3.28Å; E516-R518 PolarHBondContact O-N 3.42Å |
| 519 | Q | 35.3 | Very low | 36.9 | Very low | 185 Ų | 185 | 130 Ų | 130 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -102.5 | 24.2 | -170.3 | -140 | 170.7 | 15.6 | 0 | 0 | 115.1 | | |
| 520 | K | 30.5 | Very low | 36.3 | Very low | 200 Ų | 200 | 133.2 Ų | 133.2 | 87% | 0.87 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -130.5 | 37.6 | -174.6 | -153.6 | 178.7 | 179.4 | 177.2 | 0 | 114.9 | | |
| 521 | V | 29 | Very low | 35.8 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -140.4 | 150.4 | 164.9 | -174.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 522 | V | 34.9 | Very low | 34.9 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | | | trans | 74.8 | 133.6 | -165.6 | -170.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 523 | G | 29.1 | Very low | 34.1 | Very low | 59 Ų | 59 | 142.3 Ų | 142.3 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | | | trans | -128.1 | -150.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 524 | T | 36.3 | Very low | 33.5 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | | | trans | 60.7 | 80.4 | 174.3 | 41.5 | 0 | 0 | 0 | 0 | 117.6 | | |
| 525 | K | 32.1 | Very low | 33.4 | Very low | 197 Ų | 197 | 145.3 Ų | 145.3 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | | | | 46.9 | 98 | 125.1 | -59 | 174.6 | -179.6 | 178.6 | 0 | 118.3 | | |
| 526 | Q | 30 | Very low | 33.1 | Very low | 187 Ų | 187 | 148.7 Ų | 148.7 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | | | | -151.1 | 138 | 123.2 | -143.9 | 164.5 | 3.5 | 0 | 0 | 111.4 | | |
| 527 | C | 25.6 | Very low | 32.7 | Very low | 128 Ų | 128 | 145.8 Ų | 145.8 | 87% | 0.865 | 82% | 0.824 | S | S | * | * | | | trans | -128.9 | 125.9 | 174.3 | -64.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 528 | V | 30.4 | Very low | 32.5 | Very low | 139 Ų | 139 | 143 Ų | 143 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | | | trans | -138.2 | 137.8 | 164.2 | -176.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 529 | S | 29.4 | Very low | 32.4 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 69% | 0.692 | 82% | 0.822 | S | S | * | * | | | trans | -107.8 | 137.2 | -164.5 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 530 | T | 28.5 | Very low | 32.2 | Very low | 128 Ų | 128 | 135 Ų | 135 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | | | trans | 21.7 | 130.7 | 143.7 | 58.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 531 | S | 33 | Very low | 32.4 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | | | trans | -147.3 | 144.8 | 136 | -81.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 532 | K | 31.2 | Very low | 32.4 | Very low | 211 Ų | 211 | 142.9 Ų | 142.9 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | | | trans | -120.7 | 137.8 | -178.6 | -83 | -176.2 | 173.2 | -179.2 | 0 | 110.3 | | |
| 533 | S | 36.4 | Very low | 32.7 | Very low | 134 Ų | 134 | 142.8 Ų | 142.8 | 94% | 0.937 | 83% | 0.826 | S | S | * | * | | | trans | -157 | 154.5 | 154.3 | 53 | 0 | 0 | 0 | 0 | 111.9 | | |
| 534 | G | 31.5 | Very low | 32.8 | Very low | 69 Ų | 69 | 147.4 Ų | 147.4 | 71% | 0.711 | 84% | 0.837 | S | S | * | * | | | trans | 176.4 | -161 | 178.5 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 535 | P | 39.6 | Very low | 32.8 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 79% | 0.786 | 84% | 0.836 | S | S | * | * | | | cis | -124.1 | -171.1 | -18.8 | 41.7 | -27.5 | 0 | 0 | 0 | 111.1 | | |
| 536 | T | 34.5 | Very low | 32.6 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 89% | 0.89 | 83% | 0.831 | S | S | * | * | | | trans | -168.4 | 162.8 | 150.3 | 3.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 537 | S | 31.2 | Very low | 32.9 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | | | trans | -157.4 | 151.2 | 179.5 | -46.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 538 | P | 38.3 | Very low | 33.3 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | | | trans | -120.3 | 137.8 | 149.6 | 35.3 | -24.6 | 0 | 0 | 0 | 110.4 | | |
| 539 | I | 33.1 | Very low | 33.3 | Very low | 158 Ų | 158 | 139 Ų | 139 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | cis | 81.3 | 92.3 | 44.4 | -61.1 | -176 | 0 | 0 | 0 | 114.4 | | |
| 540 | A | 31.8 | Very low | 33.6 | Very low | 91 Ų | 91 | 140.3 Ų | 140.3 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | | | trans | 58 | 132.9 | 136.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 541 | R | 34.3 | Very low | 33.6 | Very low | 255 Ų | 255 | 142.8 Ų | 142.8 | 96% | 0.962 | 82% | 0.816 | S | S | * | * | | | | -150.8 | 145.6 | 121.7 | -108.8 | 167.6 | -168 | -153.6 | 1 | 112 | | |
| 542 | R | 30.1 | Very low | 33.7 | Very low | 245 Ų | 245 | 141.3 Ų | 141.3 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | | | trans | -112.8 | 143.6 | 169.5 | -87.5 | 174.1 | 149 | -175.4 | -6.3 | 108.1 | | |
| 543 | T | 39.5 | Very low | 33.7 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | | | trans | -141.5 | 137.6 | 153.9 | 40.2 | 0 | 0 | 0 | 0 | 109 | | |
| 544 | N | 32 | Very low | 33.6 | Very low | 157 Ų | 157 | 138 Ų | 138 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | | | trans | -132.6 | 123.8 | 177 | 179.1 | 6.7 | 0 | 0 | 0 | 107.1 | | |
| 545 | S | 37.1 | Very low | 33.9 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | -143.6 | 91.6 | -173.1 | -64.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 546 | A | 27.9 | Very low | 33.6 | Very low | 90 Ų | 90 | 141.5 Ų | 141.5 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | | | trans | -88.8 | 143.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 547 | S | 36 | Very low | 33.7 | Very low | 94 Ų | 94 | 142.3 Ų | 142.3 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | | | trans | 151.6 | 148.7 | 133.2 | 63.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 548 | Q | 32.7 | Very low | 34.1 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | 67.7 | 153.2 | 161.3 | -65.3 | 165 | 85.5 | 0 | 0 | 115.3 | | |
| 549 | I | 31.7 | Very low | 33.8 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 73% | 0.728 | 80% | 0.799 | S | S | * | * | | | cis | -160.2 | 150.2 | -2.2 | -117 | 165.5 | 0 | 0 | 0 | 105.7 | | |
| 550 | V | 34.9 | Very low | 33.9 | Very low | 126 Ų | 126 | 139 Ų | 139 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | | | cis | -161 | 173.9 | -8.7 | 72.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 551 | H | 29.5 | Very low | 34 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | | | trans | -64.5 | 139.8 | 173.5 | -75.4 | -82.1 | 0 | 0 | 0 | 114.1 | | |
| 552 | A | 34.7 | Very low | 34.1 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | -142 | 130.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 553 | T | 30.6 | Very low | 34.4 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | | | trans | -117.2 | 127.9 | -174.5 | 53.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 554 | N | 34.6 | Very low | 34.5 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | -153.6 | 127.2 | 154.2 | -88.3 | -39 | 0 | 0 | 0 | 107 | | |
| 555 | K | 38.5 | Very low | 35.1 | Very low | 202 Ų | 202 | 130.9 Ų | 130.9 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | | | | 82.2 | 111 | 54.1 | -76.7 | -171.3 | 172.1 | -176.8 | 0 | 113.7 | | |
| 556 | G | 32.4 | Very low | 35.3 | Very low | 62 Ų | 62 | 132.8 Ų | 132.8 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | | | trans | 129.3 | 114.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 557 | L | 37.1 | Very low | 36 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | | 58.6 | 125.1 | 59 | -72.8 | 68.6 | 0 | 0 | 0 | 111.4 | | |
| 558 | I | 39.1 | Very low | 36.7 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | | | cis | -151.9 | 154.1 | 2.2 | -106.5 | 158.6 | 0 | 0 | 0 | 108 | | |
| 559 | G | 33.3 | Very low | 37.7 | Very low | 71 Ų | 71 | 147.4 Ų | 147.4 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | | | cis | 137.6 | 84.9 | -3.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 560 | G | 33.9 | Very low | 38.7 | Very low | 86 Ų | 86 | 144.9 Ų | 144.9 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | | | trans | -111.9 | 127.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 561 | Q | 35.4 | Very low | 39.5 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | | | trans | -99.3 | 140.6 | -178.3 | -65.2 | 178.6 | -10.2 | 0 | 0 | 112.9 | | |
| 562 | T | 35.4 | Very low | 39.8 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 91% | 0.908 | 80% | 0.803 | S | S | * | * | | | | -146.6 | 134.9 | 118.7 | 31 | 0 | 0 | 0 | 0 | 108.8 | | |
| 563 | T | 36.4 | Very low | 40.2 | Very low | 125 Ų | 125 | 137 Ų | 137 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | | | trans | -119 | 111.1 | -174 | -47.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 564 | A | 41.2 | Very low | 40.8 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | | | trans | -100.4 | 121.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 565 | Q | 45 | Very low | 41.4 | Very low | 168 Ų | 168 | 145 Ų | 145 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -72 | 146.3 | -168.7 | -68.5 | 174.9 | -75.3 | 0 | 0 | 113.8 | F567 | Q565-F567 PolarHBondContact O-N 3.08Š|
| 566 | N | 40.6 | Very low | 42 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | | | trans | -36.7 | 113.5 | 165.3 | -56.6 | -58.4 | 0 | 0 | 0 | 113.8 | R568 | N566-R568 PolarHBondContact O-N 2.82Š|
| 567 | F | 43.5 | Very low | 42.4 | Very low | 198 Ų | 198 | 146.6 Ų | 146.6 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | | | trans | -76.2 | 118.9 | 165 | -79 | -89 | 0 | 0 | 0 | 110.1 | Q565 | Q565-F567 PolarHBondContact O-N 3.08Š|
| 568 | R | 50.7 | Low | 42.7 | Very low | 194 Ų | 194 | 149.5 Ų | 149.5 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | | | trans | -94.3 | 137.3 | 172.2 | -75.5 | -174.3 | 167 | -173.2 | -3.4 | 110.5 | N566 S570 D571 | N566-R568 PolarHBondContact O-N 2.82Å; R568-S570 WeakPolarHBondContact CB-OG 3.49Å; R568-S570 PolarHBondContact O-N 3.32Å; R568-D571 PolarHBondContact O-N 3.02Å |
| 569 | R | 54.2 | Low | 42.6 | Very low | 265 Ų | 265 | 147.5 Ų | 147.5 | 100% | 1 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -1.2 | 175.8 | -68.6 | -173.7 | 175.3 | -165 | 0.2 | 114.6 | D571 | R569-D571 VanDerWaalsContact C-N 3.31Š|
| 570 | S | 52.6 | Low | 42.9 | Very low | 90 Ų | 90 | 153.1 Ų | 153.1 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -24.3 | 171.5 | 47.9 | 0 | 0 | 0 | 0 | 113.6 | R568 G572 | R568-S570 WeakPolarHBondContact CB-OG 3.49Å; R568-S570 PolarHBondContact O-N 3.32Å; S570-G572 PolarHBondContact O-N 3.19Å |
| 571 | D | 51.8 | Low | 43.1 | Very low | 112 Ų | 112 | 155 Ų | 155 | 60% | 0.599 | 80% | 0.8 | S | S | * | * | | | trans | -87.6 | 82.5 | -165.8 | -59.2 | -6.5 | 0 | 0 | 0 | 109.5 | R568 R569 G573 | R568-D571 PolarHBondContact O-N 3.02Å; R569-D571 VanDerWaalsContact C-N 3.31Å; D571-G573 PolarHBondContact O-N 3.02Å |
| 572 | G | 35.5 | Very low | 43.3 | Very low | 86 Ų | 86 | 152.3 Ų | 152.3 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | | | trans | -66.5 | 35.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116 | S570 | S570-G572 PolarHBondContact O-N 3.19Š|
| 573 | G | 43.5 | Very low | 43.7 | Very low | 42 Ų | 42 | 151.1 Ų | 151.1 | 43% | 0.433 | 79% | 0.788 | S | S | . | * | | | trans | -85.3 | 124.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D571 F575 | D571-G573 PolarHBondContact O-N 3.02Å; G573-F575 WeakPolarHBondContact O-CD2 3.38Å; G573-F575 PolarHBondContact O-N 2.86Å |
| 574 | R | 43.1 | Very low | 43.8 | Very low | 255 Ų | 255 | 150.6 Ų | 150.6 | 96% | 0.962 | 79% | 0.789 | S | S | * | * | | | trans | -70.7 | 93.7 | 170 | -75.2 | 174.8 | 153.7 | -158.4 | -3.8 | 111 | | |
| 575 | F | 46.2 | Very low | 43.6 | Very low | 187 Ų | 187 | 151.9 Ų | 151.9 | 82% | 0.82 | 79% | 0.789 | S | S | * | * | | | trans | -91.2 | 136.3 | 173.5 | -70.6 | -74.1 | 0 | 0 | 0 | 112.8 | G573 | G573-F575 WeakPolarHBondContact O-CD2 3.38Å; G573-F575 PolarHBondContact O-N 2.86Å |
| 576 | S | 50.8 | Low | 43.2 | Very low | 104 Ų | 104 | 147.2 Ų | 147.2 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -98.8 | 121 | -172.9 | -171.4 | 0 | 0 | 0 | 0 | 111 | R578 | S576-R578 PolarHBondContact O-N 3.39Š|
| 577 | M | 40.4 | Very low | 43.1 | Very low | 193 Ų | 193 | 151.4 Ų | 151.4 | 95% | 0.951 | 79% | 0.79 | S | S | * | * | | | trans | -69.7 | 90.3 | 172.6 | -68.5 | -162 | -62.9 | 0 | 0 | 111.2 | | |
| 578 | R | 43.6 | Very low | 42.9 | Very low | 224 Ų | 224 | 148 Ų | 148 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | -135.2 | 78.9 | 162.2 | -75.9 | -169.2 | 170.7 | -147.5 | -0 | 109.4 | S576 | S576-R578 PolarHBondContact O-N 3.39Š|
| 579 | S | 37.3 | Very low | 42.4 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -61.6 | 140 | 165.9 | 56.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 580 | K | 40.2 | Very low | 41.5 | Very low | 190 Ų | 190 | 136.6 Ų | 136.6 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | | | trans | -98.3 | 106.7 | 173.8 | -70 | -180 | -179.5 | 175.7 | 0 | 108.3 | T582 | K580-T582 PolarHBondContact O-N 3.48Š|
| 581 | V | 37.6 | Very low | 40.7 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | | | trans | -78.8 | 98.9 | 166.4 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | V583 | V581-V583 HydrophobicContact CG1-CG2 3.97Š|
| 582 | T | 40.1 | Very low | 40.2 | Very low | 123 Ų | 123 | 141 Ų | 141 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -83.8 | 112.1 | 170.1 | 41.4 | 0 | 0 | 0 | 0 | 109.8 | K580 | K580-T582 PolarHBondContact O-N 3.48Š|
| 583 | V | 42.8 | Very low | 40.3 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 117.8 | 175.5 | -173 | 0 | 0 | 0 | 0 | 109.3 | V581 | V581-V583 HydrophobicContact CG1-CG2 3.97Š|
| 584 | S | 38.3 | Very low | 40 | Very low | 114 Ų | 114 | 149.6 Ų | 149.6 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 121.2 | 175.6 | -65.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 585 | P | 37.6 | Very low | 39.6 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -98 | 136.1 | -171.5 | 34.8 | -33.4 | 0 | 0 | 0 | 115.2 | | |
| 586 | G | 36.4 | Very low | 39 | Very low | 70 Ų | 70 | 144.9 Ų | 144.9 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | | | trans | 109.7 | 113.3 | 139.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 587 | R | 38.9 | Very low | 38.2 | Very low | 243 Ų | 243 | 144.2 Ų | 144.2 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | | | | 178.9 | 94.1 | 122.4 | -95.9 | 168.1 | -175.1 | -148.7 | 1.4 | 110.9 | | |
| 588 | T | 39.1 | Very low | 38 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | | | | 68.8 | 115.8 | 95 | 28 | 0 | 0 | 0 | 0 | 119.4 | | |
| 589 | V | 40.8 | Very low | 37.8 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | | | trans | 74.8 | 122.7 | 151.9 | -169.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 590 | G | 34.6 | Very low | 37.7 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | trans | 160.3 | 91.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 591 | P | 37.1 | Very low | 37.7 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | | | trans | -113.9 | 124.4 | -169.2 | 36.1 | -25.9 | 0 | 0 | 0 | 115.3 | | |
| 592 | L | 39.3 | Very low | 38 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 95% | 0.948 | 81% | 0.813 | S | S | * | * | | | trans | -176.5 | 115.7 | 135.5 | -128.3 | 70.8 | 0 | 0 | 0 | 112.9 | | |
| 593 | A | 38 | Very low | 38.3 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | | | trans | 172.7 | 144.4 | 148.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 594 | K | 37.8 | Very low | 38.5 | Very low | 207 Ų | 207 | 142.7 Ų | 142.7 | 90% | 0.9 | 80% | 0.802 | S | S | * | * | | | trans | -112.7 | 112.8 | 178.3 | -66.6 | 175 | -178.4 | 173.1 | 0 | 110.7 | | |
| 595 | T | 35.2 | Very low | 39.3 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -158.4 | 136.9 | 152.6 | 10.8 | 0 | 0 | 0 | 0 | 111 | A597 | T595-A597 PolarHBondContact O-N 2.84Š|
| 596 | Y | 32.5 | Very low | 40.1 | Very low | 220 Ų | 220 | 141.7 Ų | 141.7 | 86% | 0.863 | 78% | 0.782 | S | S | * | * | | | trans | 24.1 | 87.2 | 165.5 | -58.5 | -72.7 | 0 | 0 | 0 | 119 | N598 | Y596-N598 PolarHBondContact O-N 3.46Š|
| 597 | A | 33.9 | Very low | 40.7 | Very low | 90 Ų | 90 | 141.9 Ų | 141.9 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | | | trans | -71.2 | 108.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | T595 K599 | T595-A597 PolarHBondContact O-N 2.84Å; A597-K599 PolarHBondContact O-N 3.36Å |
| 598 | N | 37 | Very low | 41.3 | Very low | 166 Ų | 166 | 134 Ų | 134 | 89% | 0.888 | 75% | 0.745 | S | S | * | * | | | trans | -67.9 | 101.1 | 176.9 | -163.2 | -11.9 | 0 | 0 | 0 | 110 | Y596 G600 | Y596-N598 PolarHBondContact O-N 3.46Å; N598-G600 PolarHBondContact O-N 2.91Å; N598-G600 VanDerWaalsContact O-N 3.08Å |
| 599 | K | 39 | Very low | 41.9 | Very low | 190 Ų | 190 | 130.1 Ų | 130.1 | 83% | 0.826 | 73% | 0.726 | S | S | * | * | | | trans | -81.3 | 88.2 | -173.7 | -78.1 | -171.5 | 176.4 | -179.5 | 0 | 111.4 | A597 Q601 | A597-K599 PolarHBondContact O-N 3.36Å; K599-Q601 PolarHBondContact O-N 3.46Å |
| 600 | G | 35.6 | Very low | 42.3 | Very low | 68 Ų | 68 | 131.5 Ų | 131.5 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | | | trans | -50.4 | 128.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | N598 E602 | N598-G600 PolarHBondContact O-N 2.91Å; N598-G600 VanDerWaalsContact O-N 3.08Å; G600-E602 PolarHBondContact O-N 2.98Å |
| 601 | Q | 41 | Very low | 43 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | | | trans | -75 | 98.2 | -168.4 | -168 | 176 | 9.5 | 0 | 0 | 111 | K599 V603 | K599-Q601 PolarHBondContact O-N 3.46Å; Q601-V603 PolarHBondContact O-N 3.33Å; Q601-V603 VanDerWaalsContact O-N 3.08Å |
| 602 | E | 42.9 | Very low | 43.8 | Very low | 178 Ų | 178 | 136.6 Ų | 136.6 | 83% | 0.832 | 71% | 0.705 | S | S | * | * | | | trans | -58.6 | 112.5 | 177.6 | -171.9 | -179.5 | 177.3 | 0 | 0 | 110.5 | G600 R604 | G600-E602 PolarHBondContact O-N 2.98Å; E602-R604 PolarHBondContact O-N 3.44Å |
| 603 | V | 47.1 | Very low | 44.2 | Very low | 104 Ų | 104 | 136 Ų | 136 | 63% | 0.63 | 69% | 0.69 | S | S | * | * | | | trans | -69.4 | 94.2 | -176.4 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | Q601 L608 | Q601-V603 PolarHBondContact O-N 3.33Å; Q601-V603 VanDerWaalsContact O-N 3.08Å; V603-L608 HydrophobicContact CG1-CD1 4.49Å |
| 604 | R | 46.1 | Very low | 44.7 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 64% | 0.638 | 69% | 0.69 | S | S | * | * | | | trans | -48.7 | 125.2 | -176 | -156.4 | 174.9 | -176.8 | 117.8 | -0.4 | 110.9 | E602 E606 T607 | E602-R604 PolarHBondContact O-N 3.44Å; R604-E606 WeakPolarHBondContact CD-OE2 3.38Å; R604-E606 IonicContact CZ-OE2 3.71Å; R604-E606 IonicContact NE-OE2 2.75Å; R604-E606 PolarHBondContact NE-OE2 2.94Å; R604-E606 IonicContact NH2-OE2 3.79Å; R604-E606 PolarHBondContact O-N 3.01Å; R604-T607 PolarHBondContact O-N 3.24Å; R604-T607 PolarHBondContact O-OG1 3.32Å |
| 605 | P | 54.9 | Low | 45.2 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 62% | 0.623 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -56.5 | -22 | -173.7 | -30.4 | 36.3 | 0 | 0 | 0 | 115.4 | L608 A609 | P605-L608 CarbonylContact O-C 3.57Å; P605-L608 PolarHBondContact O-N 3.12Å; P605-A609 PolarHBondContact O-N 2.94Å |
| 606 | E | 54.4 | Low | 45.3 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 58% | 0.579 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -63 | -37.7 | 177.2 | -61.5 | 176.7 | 101.6 | 0 | 0 | 112.6 | R604 L608 A609 W610 | R604-E606 WeakPolarHBondContact CD-OE2 3.38Å; R604-E606 IonicContact CZ-OE2 3.71Å; R604-E606 IonicContact NE-OE2 2.75Å; R604-E606 PolarHBondContact NE-OE2 2.94Å; R604-E606 IonicContact NH2-OE2 3.79Å; R604-E606 PolarHBondContact O-N 3.01Å; E606-L608 VanDerWaalsContact C-N 3.34Å; E606-L608 PolarHBondContact O-N 3.21Å; E606-A609 CarbonylContact O-C 3.52Å; E606-A609 WeakPolarHBondContact O-CA 3.33Å; E606-A609 WeakPolarHBondContact O-CB 3.44Å; E606-A609 PolarHBondContact O-N 3.28Å; E606-W610 PolarHBondContact O-N 2.75Å |
| 607 | T | 49.8 | Very low | 46 | Very low | 75 Ų | 75 | 133.4 Ų | 133.4 | 46% | 0.46 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -66.8 | -38.2 | 176.9 | -40.9 | 0 | 0 | 0 | 0 | 111 | R604 A609 W610 L611 | R604-T607 PolarHBondContact O-N 3.24Å; R604-T607 PolarHBondContact O-OG1 3.32Å; T607-A609 VanDerWaalsContact C-N 3.28Å; T607-A609 PolarHBondContact O-N 3.21Å; T607-W610 PolarHBondContact O-N 3.23Å; T607-L611 PolarHBondContact O-N 2.95Å |
| 608 | L | 50.8 | Low | 46.6 | Very low | 78 Ų | 78 | 132.7 Ų | 132.7 | 41% | 0.408 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -72.2 | -16.8 | 171.6 | -93.9 | 167.6 | 0 | 0 | 0 | 113.5 | V603 P605 E606 R612 | V603-L608 HydrophobicContact CG1-CD1 4.49Å; P605-L608 CarbonylContact O-C 3.57Å; P605-L608 PolarHBondContact O-N 3.12Å; E606-L608 VanDerWaalsContact C-N 3.34Å; E606-L608 PolarHBondContact O-N 3.21Å; L608-R612 WeakPolarHBondContact O-CD 3.27Å; L608-R612 VanDerWaalsContact O-CG 3.31Å; L608-R612 WeakPolarHBondContact O-CG 3.35Å; L608-R612 PolarHBondContact O-NH1 3.4Å |
| 609 | A | 52.2 | Low | 46.9 | Very low | 44 Ų | 44 | 131.8 Ų | 131.8 | 36% | 0.364 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -83.7 | -34.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P605 E606 T607 | P605-A609 PolarHBondContact O-N 2.94Å; E606-A609 CarbonylContact O-C 3.52Å; E606-A609 WeakPolarHBondContact O-CA 3.33Å; E606-A609 WeakPolarHBondContact O-CB 3.44Å; E606-A609 PolarHBondContact O-N 3.28Å; T607-A609 VanDerWaalsContact C-N 3.28Å; T607-A609 PolarHBondContact O-N 3.21Å |
| 610 | W | 50.3 | Low | 47.6 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 67% | 0.667 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.7 | -51.8 | 174.9 | -171.8 | 85.6 | 0 | 0 | 0 | 111.6 | E606 T607 R612 R613 | E606-W610 PolarHBondContact O-N 2.75Å; T607-W610 PolarHBondContact O-N 3.23Å; W610-R612 PolarHBondContact O-N 3.41Å; W610-R612 VanDerWaalsContact O-N 3.11Å; W610-R613 WeakPolarHBondContact O-CB 3.3Å; W610-R613 PolarHBondContact O-N 3.27Å |
| 611 | L | 48.4 | Very low | 48.2 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 61% | 0.607 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -21 | 178.8 | -75.2 | 168.1 | 0 | 0 | 0 | 114.6 | T607 R613 | T607-L611 PolarHBondContact O-N 2.95Å; L611-R613 VanDerWaalsContact C-N 3.34Å |
| 612 | R | 54.7 | Low | 48.3 | Very low | 177 Ų | 177 | 124.9 Ų | 124.9 | 67% | 0.668 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -8.1 | 175.5 | -73.2 | -179.9 | -174.4 | 113.9 | -9.2 | 113.7 | L608 W610 K614 | L608-R612 WeakPolarHBondContact O-CD 3.27Å; L608-R612 VanDerWaalsContact O-CG 3.31Å; L608-R612 WeakPolarHBondContact O-CG 3.35Å; L608-R612 PolarHBondContact O-NH1 3.4Å; W610-R612 PolarHBondContact O-N 3.41Å; W610-R612 VanDerWaalsContact O-N 3.11Å; R612-K614 PolarHBondContact O-N 3.35Å |
| 613 | R | 47 | Very low | 48.2 | Very low | 167 Ų | 167 | 119.1 Ų | 119.1 | 63% | 0.63 | 60% | 0.6 | S | S | * | * | | | trans | -79.7 | 56.5 | 178.8 | -65.5 | 176.6 | 179.2 | 146.1 | 1.7 | 112.6 | W610 L611 E615 Y616 | W610-R613 WeakPolarHBondContact O-CB 3.3Å; W610-R613 PolarHBondContact O-N 3.27Å; L611-R613 VanDerWaalsContact C-N 3.34Å; R613-E615 PolarHBondContact O-N 3.06Å; R613-Y616 PolarHBondContact O-N 3.4Å |
| 614 | K | 48.6 | Very low | 47.8 | Very low | 196 Ų | 196 | 118 Ų | 118 | 85% | 0.852 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -3.3 | 173.9 | -86 | -77.3 | -174.9 | 177.9 | 0 | 114.8 | R612 | R612-K614 PolarHBondContact O-N 3.35Š|
| 615 | E | 47.3 | Very low | 47.6 | Very low | 163 Ų | 163 | 115.7 Ų | 115.7 | 76% | 0.762 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 19.8 | -176.7 | -57.7 | -161.8 | 136.9 | 0 | 0 | 114.6 | R613 N617 | R613-E615 PolarHBondContact O-N 3.06Å; E615-N617 PolarHBondContact O-N 2.97Å |
| 616 | Y | 37.4 | Very low | 46.7 | Very low | 169 Ų | 169 | 116.6 Ų | 116.6 | 66% | 0.663 | 61% | 0.614 | S | S | * | * | | | trans | -70.8 | 79.2 | 175.2 | -166.5 | -97.6 | 0 | 0 | 0 | 112 | R613 P618 | R613-Y616 PolarHBondContact O-N 3.4Å; Y616-P618 HydrophobicContact CE1-CB 4.29Å; Y616-P618 WeakPolarHBondContact O-CD 3.41Å |
| 617 | N | 48.6 | Very low | 46.1 | Very low | 70 Ų | 70 | 117.1 Ų | 117.1 | 37% | 0.374 | 63% | 0.626 | S | S | . | * | | | trans | -93.7 | 107 | 169.5 | -179.6 | -18.1 | 0 | 0 | 0 | 108.4 | E615 L619 K620 | E615-N617 PolarHBondContact O-N 2.97Å; N617-L619 PolarHBondContact O-N 3Å; N617-L619 VanDerWaalsContact O-N 3.09Å; N617-L619 VanDerWaalsContact OD1-CB 3.3Å; N617-L619 WeakPolarHBondContact OD1-CB 3.42Å; N617-L619 PolarHBondContact OD1-N 3.09Å; N617-K620 HydrophobicContact CB-CG 4.46Å; N617-K620 PolarHBondContact O-N 3.47Å |
| 618 | P | 46.5 | Very low | 45.5 | Very low | 75 Ų | 75 | 125.1 Ų | 125.1 | 49% | 0.487 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -61.5 | -21.6 | -176.1 | 23.8 | -33.4 | 0 | 0 | 0 | 113.6 | Y616 K620 S621 A622 | Y616-P618 HydrophobicContact CE1-CB 4.29Å; Y616-P618 WeakPolarHBondContact O-CD 3.41Å; P618-K620 VanDerWaalsContact C-N 3.27Å; P618-K620 PolarHBondContact O-N 3.45Å; P618-S621 PolarHBondContact O-N 2.85Å; P618-A622 PolarHBondContact O-N 3.49Å |
| 619 | L | 42.8 | Very low | 44.7 | Very low | 147 Ų | 147 | 124.5 Ų | 124.5 | 77% | 0.77 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.4 | -21.1 | 175.1 | -56.8 | 173.7 | 0 | 0 | 0 | 113 | N617 | N617-L619 PolarHBondContact O-N 3Å; N617-L619 VanDerWaalsContact O-N 3.09Å; N617-L619 VanDerWaalsContact OD1-CB 3.3Å; N617-L619 WeakPolarHBondContact OD1-CB 3.42Å; N617-L619 PolarHBondContact OD1-N 3.09Å |
| 620 | K | 52.9 | Low | 43.8 | Very low | 147 Ų | 147 | 128.3 Ų | 128.3 | 64% | 0.639 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -80.2 | -39.6 | 168.3 | -70.8 | -174.8 | 176.9 | 178.9 | 0 | 111.3 | N617 P618 G623 | N617-K620 HydrophobicContact CB-CG 4.46Å; N617-K620 PolarHBondContact O-N 3.47Å; P618-K620 VanDerWaalsContact C-N 3.27Å; P618-K620 PolarHBondContact O-N 3.45Å; K620-G623 PolarHBondContact O-N 2.97Å |
| 621 | S | 49.2 | Very low | 43 | Very low | 59 Ų | 59 | 126.7 Ų | 126.7 | 41% | 0.413 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -64.6 | -43.1 | -179.6 | -51.8 | 0 | 0 | 0 | 0 | 112.7 | P618 G623 A624 | P618-S621 PolarHBondContact O-N 2.85Å; S621-G623 PolarHBondContact O-N 3.14Å; S621-A624 PolarHBondContact O-N 3.46Å |
| 622 | A | 43.6 | Very low | 42.2 | Very low | 92 Ų | 92 | 126.5 Ų | 126.5 | 76% | 0.76 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -13.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P618 | P618-A622 PolarHBondContact O-N 3.49Š|
| 623 | G | 40.5 | Very low | 41.3 | Very low | 58 Ų | 58 | 123 Ų | 123 | 60% | 0.598 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -9.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | K620 S621 T625 | K620-G623 PolarHBondContact O-N 2.97Å; S621-G623 PolarHBondContact O-N 3.14Å; G623-T625 PolarHBondContact O-N 3.24Å |
| 624 | A | 37.1 | Very low | 40.7 | Very low | 79 Ų | 79 | 121.7 Ų | 121.7 | 65% | 0.653 | 71% | 0.711 | S | S | * | * | | | trans | -90.1 | 77.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S621 S626 | S621-A624 PolarHBondContact O-N 3.46Å; A624-S626 PolarHBondContact O-N 2.95Å; A624-S626 VanDerWaalsContact O-N 3.07Å |
| 625 | T | 41.9 | Very low | 40.1 | Very low | 122 Ų | 122 | 117.6 Ų | 117.6 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | | | trans | -64.7 | 108 | 171.5 | 44.3 | 0 | 0 | 0 | 0 | 111.1 | G623 T627 | G623-T625 PolarHBondContact O-N 3.24Å; T625-T627 PolarHBondContact O-N 3.01Å; T625-T627 VanDerWaalsContact O-N 3.08Å; T625-T627 PolarHBondContact O-OG1 2.59Å |
| 626 | S | 37.4 | Very low | 39.6 | Very low | 114 Ų | 114 | 118.8 Ų | 118.8 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | | | trans | -56.8 | 113.5 | 179.4 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | A624 | A624-S626 PolarHBondContact O-N 2.95Å; A624-S626 VanDerWaalsContact O-N 3.07Å |
| 627 | T | 41.4 | Very low | 39.6 | Very low | 136 Ų | 136 | 117.9 Ų | 117.9 | 83% | 0.834 | 71% | 0.71 | S | S | * | * | | | trans | -122 | 52 | 175.4 | 35.9 | 0 | 0 | 0 | 0 | 109.9 | T625 G629 | T625-T627 PolarHBondContact O-N 3.01Å; T625-T627 VanDerWaalsContact O-N 3.08Å; T625-T627 PolarHBondContact O-OG1 2.59Å; T627-G629 PolarHBondContact O-N 2.87Å |
| 628 | R | 38 | Very low | 39.1 | Very low | 243 Ų | 243 | 120.9 Ų | 120.9 | 92% | 0.917 | 73% | 0.725 | S | S | * | * | | | trans | -84.8 | 93 | 178 | -167.1 | -177.2 | -171.6 | -152.5 | 2 | 111.7 | | |
| 629 | G | 32.7 | Very low | 38.3 | Very low | 65 Ų | 65 | 124.2 Ų | 124.2 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | | | trans | 91.5 | 105.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 117 | T627 | T627-G629 PolarHBondContact O-N 2.87Š|
| 630 | S | 33.3 | Very low | 38.2 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 87% | 0.867 | 74% | 0.739 | S | S | * | * | | | | -160.3 | 143.9 | 119.7 | -82.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 631 | T | 33.6 | Very low | 37.3 | Very low | 142 Ų | 142 | 125.8 Ų | 125.8 | 87% | 0.871 | 74% | 0.742 | S | S | * | * | | | trans | -52.1 | 135.9 | 179.9 | 48.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 632 | S | 31.5 | Very low | 36.7 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | | | | -174.3 | 131.3 | 122.7 | -162.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 633 | S | 37 | Very low | 36.3 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | trans | 18.7 | 107.4 | 147.1 | -50.5 | 0 | 0 | 0 | 0 | 122.6 | | |
| 634 | D | 34.5 | Very low | 36.2 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | | 78.9 | 148.5 | 115.7 | -111.5 | -48 | 0 | 0 | 0 | 125.2 | | |
| 635 | T | 35.5 | Very low | 36.3 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | | | trans | 60.1 | 121 | 171.2 | 57.3 | 0 | 0 | 0 | 0 | 117.3 | | |
| 636 | K | 36.9 | Very low | 35.9 | Very low | 187 Ų | 187 | 146 Ų | 146 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | | 54.8 | 127.6 | 66.2 | -54.8 | 173.7 | -179.2 | 169.4 | 0 | 110.7 | | |
| 637 | I | 37.6 | Very low | 35.9 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | | -163.5 | 136.4 | 65.9 | -88.5 | -176.2 | 0 | 0 | 0 | 112.1 | | |
| 638 | L | 36.5 | Very low | 35.5 | Very low | 134 Ų | 134 | 150 Ų | 150 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | | | trans | 33.8 | 121.8 | 151.5 | -72.4 | 153.3 | 0 | 0 | 0 | 123 | K640 | L638-K640 HydrophobicContact CD2-CG 4.43Š|
| 639 | N | 30.4 | Very low | 35.6 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | -77.5 | 131.5 | 147.4 | 172.1 | 13.8 | 0 | 0 | 0 | 110.6 | | |
| 640 | K | 40.9 | Very low | 35.8 | Very low | 176 Ų | 176 | 154.1 Ų | 154.1 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | | | trans | -149.2 | 102.8 | 167.9 | -81.3 | -161.1 | 174 | -175.1 | 0 | 114.5 | L638 | L638-K640 HydrophobicContact CD2-CG 4.43Š|
| 641 | H | 34.3 | Very low | 35.9 | Very low | 151 Ų | 151 | 153.1 Ų | 153.1 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | | | trans | 17.4 | 146.6 | 135.3 | -92.8 | -117.1 | 0 | 0 | 0 | 123.8 | | |
| 642 | E | 36.8 | Very low | 36.1 | Very low | 133 Ų | 133 | 150.9 Ų | 150.9 | 62% | 0.621 | 76% | 0.763 | S | S | * | * | | | trans | 72.7 | 149 | 153.4 | -71.1 | 171.9 | -124.8 | 0 | 0 | 117.9 | | |
| 643 | R | 35.5 | Very low | 36.4 | Very low | 208 Ų | 208 | 152.2 Ų | 152.2 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | cis | -153.3 | 153.2 | 8.4 | -143 | 173.9 | -103.1 | -170.3 | -6.5 | 110.3 | | |
| 644 | P | 37 | Very low | 36.7 | Very low | 122 Ų | 122 | 152.7 Ų | 152.7 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | | | trans | -97 | 153 | 178.1 | 36.4 | -34.3 | 0 | 0 | 0 | 114.4 | | |
| 645 | T | 40.2 | Very low | 36.9 | Very low | 137 Ų | 137 | 152.4 Ų | 152.4 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | | | trans | -140.5 | 139.2 | 171.9 | -37.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 646 | R | 32.7 | Very low | 36.9 | Very low | 234 Ų | 234 | 156.1 Ų | 156.1 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | | | trans | -95.4 | 148.1 | 174.8 | -61.5 | 178.7 | -179.9 | 176.8 | -0.6 | 111.2 | | |
| 647 | Y | 37.8 | Very low | 36.9 | Very low | 232 Ų | 232 | 156.2 Ų | 156.2 | 91% | 0.91 | 76% | 0.762 | S | S | * | * | | | trans | -146.5 | 172.3 | 144.1 | -106 | -76.4 | 0 | 0 | 0 | 110.5 | | |
| 648 | S | 33.2 | Very low | 37 | Very low | 103 Ų | 103 | 155.6 Ų | 155.6 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | | | trans | -119.9 | -161.2 | -158.4 | -166.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 649 | H | 38.8 | Very low | 36.8 | Very low | 171 Ų | 171 | 155.6 Ų | 155.6 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | | | trans | 96.6 | 150.8 | 174.4 | -50.7 | -70.6 | 0 | 0 | 0 | 117.2 | | |
| 650 | R | 36.8 | Very low | 37 | Very low | 224 Ų | 224 | 152.9 Ų | 152.9 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | | | | -173.6 | 154.2 | -62.6 | 178.7 | 177.6 | -166.3 | -128.4 | 7.5 | 108.5 | | |
| 651 | S | 36.6 | Very low | 36.7 | Very low | 102 Ų | 102 | 150.1 Ų | 150.1 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | | | trans | 71.9 | 156.5 | 169.9 | 6.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 652 | S | 37.1 | Very low | 36.5 | Very low | 96 Ų | 96 | 148.9 Ų | 148.9 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | | | cis | -162.6 | 118.5 | 0.2 | 43.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 653 | T | 38.7 | Very low | 36.5 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | | | | 60.4 | 165.6 | 129.8 | 57.9 | 0 | 0 | 0 | 0 | 121.6 | | |
| 654 | P | 44 | Very low | 36.2 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -126.8 | -176.5 | -139.3 | 45.7 | -36 | 0 | 0 | 0 | 117.2 | | |
| 655 | N | 38.2 | Very low | 36.2 | Very low | 134 Ų | 134 | 147.2 Ų | 147.2 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | | | trans | -165 | 151.6 | 150.6 | -114.9 | -52.2 | 0 | 0 | 0 | 115 | | |
| 656 | R | 35.8 | Very low | 35.9 | Very low | 188 Ų | 188 | 148.5 Ų | 148.5 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | | | trans | 32.6 | 144.4 | 141.2 | -70.6 | 167.5 | 179.3 | -163.6 | -0 | 121 | | |
| 657 | R | 35.3 | Very low | 35.8 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | | | cis | -166.7 | 172.4 | 0 | -124.8 | 167.3 | -175.2 | 176.2 | -2.8 | 111.4 | | |
| 658 | L | 40.1 | Very low | 35.3 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | | | trans | -24 | 154.1 | 151.4 | -76.2 | 73.7 | 0 | 0 | 0 | 115.5 | | |
| 659 | D | 32.4 | Very low | 35.5 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | cis | -166.5 | 173.1 | 16.5 | -133.2 | -7.2 | 0 | 0 | 0 | 117.6 | | |
| 660 | S | 35.4 | Very low | 35.1 | Very low | 87 Ų | 87 | 137.2 Ų | 137.2 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | | | trans | 77.8 | 140 | 139.4 | -78.5 | 0 | 0 | 0 | 0 | 125.7 | | |
| 661 | T | 33.3 | Very low | 35 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | | | trans | 73.7 | 91.3 | 147.8 | 41.8 | 0 | 0 | 0 | 0 | 122.9 | | |
| 662 | T | 30.9 | Very low | 34.8 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | | 51.6 | 112.5 | 121.7 | 56.6 | 0 | 0 | 0 | 0 | 121 | | |
| 663 | T | 36 | Very low | 34.4 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | | | trans | -151.7 | 144.8 | 136.2 | -0.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 664 | T | 29.7 | Very low | 34 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | trans | -34.1 | 136.6 | 177.1 | 51.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 665 | K | 37.4 | Very low | 33.5 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | | -179.2 | 145.3 | 111.5 | -100.1 | 171.2 | 171.8 | -88.7 | 0 | 114.3 | | |
| 666 | E | 32.8 | Very low | 33.2 | Very low | 165 Ų | 165 | 131.9 Ų | 131.9 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | | | trans | 37.1 | 134 | 142.6 | -66 | 150.6 | -141.3 | 0 | 0 | 121.3 | | |
| 667 | G | 31.1 | Very low | 33 | Very low | 88 Ų | 88 | 127.8 Ų | 127.8 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | | | trans | 167.6 | 1.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 668 | A | 28.1 | Very low | 33 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | trans | -120.7 | 91.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 669 | K | 37.5 | Very low | 32.6 | Very low | 209 Ų | 209 | 127.3 Ų | 127.3 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | | | trans | -140.6 | 148.7 | 159.9 | -73.1 | -165.8 | 176.4 | -179.1 | 0 | 110.3 | | |
| 670 | S | 30.6 | Very low | 32.6 | Very low | 102 Ų | 102 | 124.4 Ų | 124.4 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | trans | -68.7 | 145.5 | -169.5 | 44.9 | 0 | 0 | 0 | 0 | 113.9 | V672 | S670-V672 VanDerWaalsContact C-N 3.34Å; S670-V672 PolarHBondContact O-N 3.12Å |
| 671 | V | 33.3 | Very low | 32.7 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | | | trans | -72.6 | 90.6 | 166.2 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 672 | V | 33.4 | Very low | 32.9 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 66% | 0.655 | 76% | 0.756 | S | S | * | * | | | trans | -93.5 | 119.7 | 164.7 | 177 | 0 | 0 | 0 | 0 | 107.7 | S670 S674 | S670-V672 VanDerWaalsContact C-N 3.34Å; S670-V672 PolarHBondContact O-N 3.12Å; V672-S674 PolarHBondContact O-N 2.96Å |
| 673 | S | 29.3 | Very low | 33.3 | Very low | 113 Ų | 113 | 127 Ų | 127 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | | | trans | -75.3 | 72.1 | -179.7 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 674 | S | 30.3 | Very low | 33.9 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 137.9 | 172.5 | -63 | 0 | 0 | 0 | 0 | 111.1 | V672 | V672-S674 PolarHBondContact O-N 2.96Š|
| 675 | P | 32.6 | Very low | 34.6 | Very low | 124 Ų | 124 | 125 Ų | 125 | 81% | 0.805 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 147.7 | -178.6 | 27.2 | -34.7 | 0 | 0 | 0 | 112.1 | S677 | P675-S677 PolarHBondContact O-N 2.98Š|
| 676 | S | 32.8 | Very low | 35.1 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 128.1 | -179.9 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | L678 | S676-L678 PolarHBondContact O-N 3.02Š|
| 677 | S | 31.1 | Very low | 35.8 | Very low | 101 Ų | 101 | 117.2 Ų | 117.2 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | | | trans | -61.5 | 114.4 | -172.9 | -174.7 | 0 | 0 | 0 | 0 | 113.3 | P675 R679 | P675-S677 PolarHBondContact O-N 2.98Å; S677-R679 VanDerWaalsContact C-N 3.28Å; S677-R679 PolarHBondContact O-N 2.78Å |
| 678 | L | 34.1 | Very low | 37 | Very low | 144 Ų | 144 | 114.6 Ų | 114.6 | 75% | 0.754 | 68% | 0.678 | S | S | * | * | | | trans | -74.1 | 78.8 | 168.5 | -79.1 | 167.4 | 0 | 0 | 0 | 110.4 | S676 | S676-L678 PolarHBondContact O-N 3.02Š|
| 679 | R | 32.9 | Very low | 38.4 | Very low | 173 Ų | 173 | 113.4 Ų | 113.4 | 65% | 0.653 | 66% | 0.657 | S | S | * | * | | | trans | -92.8 | 101.5 | -176.6 | -152.5 | 172.8 | -173.4 | 174.4 | 2.3 | 110.6 | S677 | S677-R679 VanDerWaalsContact C-N 3.28Å; S677-R679 PolarHBondContact O-N 2.78Å |
| 680 | G | 31.3 | Very low | 39.6 | Very low | 73 Ų | 73 | 110 Ų | 110 | 75% | 0.753 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 95 | 16.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | V682 | G680-V682 PolarHBondContact O-N 3.34Š|
| 681 | Q | 37.7 | Very low | 40.9 | Very low | 128 Ų | 128 | 109.8 Ų | 109.8 | 60% | 0.598 | 63% | 0.625 | S | S | * | * | | | trans | -78.9 | 112.2 | 174.5 | -73.4 | -173.8 | -10.3 | 0 | 0 | 112.3 | F683 | Q681-F683 HydrophobicContact CB-CD2 4.46Å; Q681-F683 HydrophobicContact CB-CE2 3.86Å; Q681-F683 HydrophobicContact CB-CZ 4.1Å; Q681-F683 WeakPolarHBondContact O-CD2 3.3Å; Q681-F683 PolarHBondContact O-N 2.91Å |
| 682 | V | 38.7 | Very low | 42.3 | Very low | 96 Ų | 96 | 104.6 Ų | 104.6 | 58% | 0.582 | 59% | 0.593 | S | S | * | * | | | trans | -84.3 | 102.2 | 172.5 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | G680 V684 M763 | G680-V682 PolarHBondContact O-N 3.34Å; V682-V684 HydrophobicContact CG1-CG2 4.44Å; V682-V684 PolarHBondContact O-N 2.95Å; V682-M763 HydrophobicContact CG1-CE 3.72Å; V682-M763 HydrophobicContact CG1-SD 4.13Å |
| 683 | F | 38.6 | Very low | 43.8 | Very low | 161 Ų | 161 | 104.7 Ų | 104.7 | 71% | 0.706 | 59% | 0.586 | S | S | * | * | | | trans | -76.2 | 83.1 | 177.2 | -67.3 | -85.9 | 0 | 0 | 0 | 111.7 | Q681 Q685 | Q681-F683 HydrophobicContact CB-CD2 4.46Å; Q681-F683 HydrophobicContact CB-CE2 3.86Å; Q681-F683 HydrophobicContact CB-CZ 4.1Å; Q681-F683 WeakPolarHBondContact O-CD2 3.3Å; Q681-F683 PolarHBondContact O-N 2.91Å; F683-Q685 PolarHBondContact O-N 3.48Å; F683-Q685 VanDerWaalsContact O-N 3.16Å |
| 684 | V | 47.8 | Very low | 45.7 | Very low | 65 Ų | 65 | 104.2 Ų | 104.2 | 39% | 0.394 | 57% | 0.572 | S | S | . | * | | | trans | -63 | 115.9 | 162.2 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | V682 L686 | V682-V684 HydrophobicContact CG1-CG2 4.44Å; V682-V684 PolarHBondContact O-N 2.95Å; V684-L686 PolarHBondContact O-N 3.24Å |
| 685 | Q | 44.6 | Very low | 47.3 | Very low | 157 Ų | 157 | 101.9 Ų | 101.9 | 73% | 0.734 | 55% | 0.552 | S | S | * | * | | | trans | -62.1 | 102.3 | -173.3 | -167 | 177.9 | 23.3 | 0 | 0 | 110.4 | F683 G687 S688 | F683-Q685 PolarHBondContact O-N 3.48Å; F683-Q685 VanDerWaalsContact O-N 3.16Å; Q685-G687 PolarHBondContact O-N 3.46Å; Q685-S688 PolarHBondContact O-N 3.41Å; Q685-S688 PolarHBondContact O-OG 3.44Å |
| 686 | L | 47.8 | Very low | 48.8 | Very low | 123 Ų | 123 | 98.1 Ų | 98.1 | 64% | 0.644 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -50.9 | -25.2 | -166.3 | -69.7 | 167 | 0 | 0 | 0 | 115.4 | V684 S688 L689 K690 | V684-L686 PolarHBondContact O-N 3.24Å; L686-S688 PolarHBondContact O-N 3.27Å; L686-L689 PolarHBondContact O-N 3.3Å; L686-K690 PolarHBondContact O-N 2.89Å |
| 687 | G | 49.2 | Very low | 50.4 | Low | 41 Ų | 41 | 96.4 Ų | 96.4 | 42% | 0.423 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.7 | -12.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q685 R691 | Q685-G687 PolarHBondContact O-N 3.46Å; G687-R691 PolarHBondContact O-NE 3.12Å; G687-R691 PolarHBondContact O-NH2 2.97Å |
| 688 | S | 54.5 | Low | 52 | Low | 34 Ų | 34 | 95.4 Ų | 95.4 | 24% | 0.238 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -86.2 | -45.7 | 165.9 | 65.1 | 0 | 0 | 0 | 0 | 111.1 | Q685 L686 K690 R691 I692 | Q685-S688 PolarHBondContact O-N 3.41Å; Q685-S688 PolarHBondContact O-OG 3.44Å; L686-S688 PolarHBondContact O-N 3.27Å; S688-K690 PolarHBondContact O-N 3.38Å; S688-R691 CarbonylContact O-C 3.54Å; S688-R691 WeakPolarHBondContact O-CA 3.48Å; S688-R691 WeakPolarHBondContact O-CB 3.15Å; S688-R691 PolarHBondContact O-N 3.08Å; S688-R691 VanDerWaalsContact O-N 3.1Å; S688-I692 WeakPolarHBondContact O-CG1 3.3Å; S688-I692 PolarHBondContact O-N 3.19Å |
| 689 | L | 58.7 | Low | 53.4 | Low | 79 Ų | 79 | 90 Ų | 90 | 41% | 0.414 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 179.7 | -171.8 | 66 | 0 | 0 | 0 | 112.1 | L686 R691 I692 Q693 | L686-L689 PolarHBondContact O-N 3.3Å; L689-R691 VanDerWaalsContact C-N 3.28Å; L689-R691 PolarHBondContact O-N 3.07Å; L689-I692 PolarHBondContact O-N 2.75Å; L689-Q693 WeakPolarHBondContact O-CG 3.29Å; L689-Q693 PolarHBondContact O-N 2.7Å |
| 690 | K | 62 | Low | 54.7 | Low | 138 Ų | 138 | 87.2 Ų | 87.2 | 60% | 0.6 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.1 | -36.3 | 173.6 | -176.7 | 173.6 | 179.3 | 177.2 | 0 | 112 | L686 S688 Q693 M694 | L686-K690 PolarHBondContact O-N 2.89Å; S688-K690 PolarHBondContact O-N 3.38Å; K690-Q693 PolarHBondContact O-N 3.26Å; K690-M694 HydrophobicContact CG-SD 4.09Å; K690-M694 WeakPolarHBondContact O-CB 3.37Å; K690-M694 WeakPolarHBondContact O-CG 3.46Å; K690-M694 PolarHBondContact O-N 3.41Å |
| 691 | R | 58.5 | Low | 56.5 | Low | 96 Ų | 96 | 88.1 Ų | 88.1 | 36% | 0.362 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.8 | -41 | 174.5 | -96 | -176.2 | -75.1 | -179.5 | -15.7 | 112.4 | S507 G687 S688 L689 M694 L695 | S507-R691 PolarHBondContact OG-NH1 2.89Å; G687-R691 PolarHBondContact O-NE 3.12Å; G687-R691 PolarHBondContact O-NH2 2.97Å; S688-R691 CarbonylContact O-C 3.54Å; S688-R691 WeakPolarHBondContact O-CA 3.48Å; S688-R691 WeakPolarHBondContact O-CB 3.15Å; S688-R691 PolarHBondContact O-N 3.08Å; S688-R691 VanDerWaalsContact O-N 3.1Å; L689-R691 VanDerWaalsContact C-N 3.28Å; L689-R691 PolarHBondContact O-N 3.07Å; R691-M694 PolarHBondContact O-N 3.21Å; R691-L695 VanDerWaalsContact O-CB 3.3Å; R691-L695 WeakPolarHBondContact O-CB 3.38Å; R691-L695 WeakPolarHBondContact O-CD1 3.5Å; R691-L695 WeakPolarHBondContact O-CG 3.33Å; R691-L695 PolarHBondContact O-N 3.08Å |
| 692 | I | 62.2 | Low | 57.7 | Low | 33 Ų | 33 | 83 Ų | 83 | 17% | 0.169 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 173.6 | -67.5 | 164.1 | 0 | 0 | 0 | 109.7 | S688 L689 M694 L695 S696 T752 T756 | S688-I692 WeakPolarHBondContact O-CG1 3.3Å; S688-I692 PolarHBondContact O-N 3.19Å; L689-I692 PolarHBondContact O-N 2.75Å; I692-M694 PolarHBondContact O-N 2.88Å; I692-L695 PolarHBondContact O-N 2.99Å; I692-S696 WeakPolarHBondContact O-CB 3.47Å; I692-S696 PolarHBondContact O-N 2.9Å; I692-S696 PolarHBondContact O-OG 2.99Å; I692-S696 VanDerWaalsContact O-OG 3.08Å; I692-T752 HydrophobicContact CD1-CG2 4.37Å; I692-T752 HydrophobicContact CG1-CG2 3.75Å; I692-T756 HydrophobicContact CD1-CG2 4.15Å |
| 693 | Q | 65.8 | Low | 58.4 | Low | 110 Ų | 110 | 80.7 Ų | 80.7 | 51% | 0.514 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 176.7 | -72.9 | 174.1 | -33.2 | 0 | 0 | 112.7 | L689 K690 S696 V697 | L689-Q693 WeakPolarHBondContact O-CG 3.29Å; L689-Q693 PolarHBondContact O-N 2.7Å; K690-Q693 PolarHBondContact O-N 3.26Å; Q693-S696 PolarHBondContact O-N 3.21Å; Q693-V697 WeakPolarHBondContact O-CG2 3.36Å; Q693-V697 PolarHBondContact O-N 3.2Å |
| 694 | M | 69.5 | Low | 59.3 | Low | 102 Ų | 102 | 76.5 Ų | 76.5 | 50% | 0.502 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61 | -48.8 | 175.2 | -74.9 | 167.8 | 52.3 | 0 | 0 | 111.8 | K690 R691 I692 S696 V697 D698 | K690-M694 HydrophobicContact CG-SD 4.09Å; K690-M694 WeakPolarHBondContact O-CB 3.37Å; K690-M694 WeakPolarHBondContact O-CG 3.46Å; K690-M694 PolarHBondContact O-N 3.41Å; R691-M694 PolarHBondContact O-N 3.21Å; I692-M694 PolarHBondContact O-N 2.88Å; M694-S696 VanDerWaalsContact C-N 3.28Å; M694-S696 PolarHBondContact O-N 3.01Å; M694-V697 PolarHBondContact O-N 3.06Å; M694-V697 VanDerWaalsContact O-N 3.11Å; M694-D698 VanDerWaalsContact O-CG 3.32Å; M694-D698 PolarHBondContact O-N 3.2Å |
| 695 | L | 63.3 | Low | 59.8 | Low | 47 Ų | 47 | 76 Ų | 76 | 25% | 0.246 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.8 | -33 | 178.3 | -70.6 | 167.6 | 0 | 0 | 0 | 112.5 | R691 I692 L699 I748 V749 | R691-L695 VanDerWaalsContact O-CB 3.3Å; R691-L695 WeakPolarHBondContact O-CB 3.38Å; R691-L695 WeakPolarHBondContact O-CD1 3.5Å; R691-L695 WeakPolarHBondContact O-CG 3.33Å; R691-L695 PolarHBondContact O-N 3.08Å; I692-L695 PolarHBondContact O-N 2.99Å; L695-L699 WeakPolarHBondContact O-CB 3.41Å; L695-L699 PolarHBondContact O-N 2.88Å; L695-I748 HydrophobicContact CD1-CG2 4.29Å; L695-I748 HydrophobicContact CD2-CG2 4.2Å; L695-V749 HydrophobicContact CB-CG2 3.85Å |
| 696 | S | 63.2 | Low | 60.2 | Low | 45 Ų | 45 | 69.5 Ų | 69.5 | 32% | 0.315 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.9 | -41.8 | 172.5 | -68.2 | 0 | 0 | 0 | 0 | 112 | I692 Q693 M694 L699 M700 | I692-S696 WeakPolarHBondContact O-CB 3.47Å; I692-S696 PolarHBondContact O-N 2.9Å; I692-S696 PolarHBondContact O-OG 2.99Å; I692-S696 VanDerWaalsContact O-OG 3.08Å; Q693-S696 PolarHBondContact O-N 3.21Å; M694-S696 VanDerWaalsContact C-N 3.28Å; M694-S696 PolarHBondContact O-N 3.01Å; S696-L699 PolarHBondContact O-N 2.86Å; S696-M700 WeakPolarHBondContact O-CG 2.99Å; S696-M700 PolarHBondContact O-N 3.35Å |
| 697 | V | 68.1 | Low | 60.5 | Low | 79 Ų | 79 | 71.4 Ų | 71.4 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.1 | -49.4 | 174.2 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | Q693 M694 L699 M700 T701 | Q693-V697 WeakPolarHBondContact O-CG2 3.36Å; Q693-V697 PolarHBondContact O-N 3.2Å; M694-V697 PolarHBondContact O-N 3.06Å; M694-V697 VanDerWaalsContact O-N 3.11Å; V697-L699 PolarHBondContact O-N 3.2Å; V697-M700 HydrophobicContact CG2-CE 4.15Å; V697-M700 PolarHBondContact O-N 3.31Å; V697-M700 VanDerWaalsContact O-N 3.12Å; V697-T701 PolarHBondContact O-N 3.02Å; V697-T701 PolarHBondContact O-OG1 3.37Å |
| 698 | D | 64 | Low | 61 | Low | 79 Ų | 79 | 72.8 Ų | 72.8 | 42% | 0.422 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -55.4 | -39.8 | 176 | -70.6 | -25.9 | 0 | 0 | 0 | 112 | M694 S702 | M694-D698 VanDerWaalsContact O-CG 3.32Å; M694-D698 PolarHBondContact O-N 3.2Å; D698-S702 VanDerWaalsContact O-CB 3.3Å; D698-S702 WeakPolarHBondContact O-CB 3.24Å; D698-S702 PolarHBondContact O-N 3.48Å; D698-S702 PolarHBondContact O-OG 3.16Å |
| 699 | L | 63 | Low | 61.1 | Low | 30 Ų | 30 | 76.7 Ų | 76.7 | 16% | 0.157 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.4 | -46.9 | 176.8 | -177.7 | 68.1 | 0 | 0 | 0 | 111.6 | L695 S696 V697 S702 A703 K745 L746 V749 | L695-L699 WeakPolarHBondContact O-CB 3.41Å; L695-L699 PolarHBondContact O-N 2.88Å; S696-L699 PolarHBondContact O-N 2.86Å; V697-L699 PolarHBondContact O-N 3.2Å; L699-S702 PolarHBondContact O-N 2.95Å; L699-A703 WeakPolarHBondContact O-CB 3.45Å; L699-A703 PolarHBondContact O-N 3.48Å; L699-K745 HydrophobicContact CD1-CB 3.95Å; L699-L746 HydrophobicContact CD1-CB 4.04Å; L699-L746 HydrophobicContact CD1-CD1 4.22Å; L699-L746 HydrophobicContact CD2-CD1 4.17Å; L699-V749 HydrophobicContact CD2-CB 4.45Å; L699-V749 HydrophobicContact CD2-CG1 4.46Å; L699-V749 HydrophobicContact CD2-CG2 4.14Å |
| 700 | M | 60.6 | Low | 60.8 | Low | 116 Ų | 116 | 78.2 Ų | 78.2 | 57% | 0.571 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.4 | -48 | 176.6 | -72.4 | -176 | -59.6 | 0 | 0 | 111.4 | S696 V697 S702 A703 S704 | S696-M700 WeakPolarHBondContact O-CG 2.99Å; S696-M700 PolarHBondContact O-N 3.35Å; V697-M700 HydrophobicContact CG2-CE 4.15Å; V697-M700 PolarHBondContact O-N 3.31Å; V697-M700 VanDerWaalsContact O-N 3.12Å; M700-S702 VanDerWaalsContact C-N 3.29Å; M700-S702 PolarHBondContact O-N 2.89Å; M700-A703 PolarHBondContact O-N 2.84Å; M700-A703 VanDerWaalsContact O-N 3.16Å; M700-S704 PolarHBondContact O-N 3.4Å; M700-S704 PolarHBondContact O-OG 2.66Å |
| 701 | T | 68.5 | Low | 60.5 | Low | 91 Ų | 91 | 77.9 Ų | 77.9 | 56% | 0.558 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.1 | -39 | 176.6 | -57 | 0 | 0 | 0 | 0 | 111.9 | V697 S704 S705 | V697-T701 PolarHBondContact O-N 3.02Å; V697-T701 PolarHBondContact O-OG1 3.37Å; T701-S704 PolarHBondContact O-N 3.04Å; T701-S705 PolarHBondContact O-N 3.45Å |
| 702 | S | 62.4 | Low | 60.4 | Low | 22 Ų | 22 | 77.6 Ų | 77.6 | 15% | 0.154 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -69.3 | -37.1 | 176.2 | -53.2 | 0 | 0 | 0 | 0 | 112.5 | D698 L699 M700 L706 K745 | D698-S702 VanDerWaalsContact O-CB 3.3Å; D698-S702 WeakPolarHBondContact O-CB 3.24Å; D698-S702 PolarHBondContact O-N 3.48Å; D698-S702 PolarHBondContact O-OG 3.16Å; L699-S702 PolarHBondContact O-N 2.95Å; M700-S702 VanDerWaalsContact C-N 3.29Å; M700-S702 PolarHBondContact O-N 2.89Å; S702-L706 VanDerWaalsContact O-CB 3.31Å; S702-L706 WeakPolarHBondContact O-CB 3.28Å; S702-L706 PolarHBondContact O-N 3.24Å; S702-K745 VanDerWaalsContact OG-CD 3.3Å; S702-K745 WeakPolarHBondContact OG-CD 3.22Å; S702-K745 PolarHBondContact OG-NZ 2.82Å |
| 703 | A | 54.7 | Low | 60 | Low | 46 Ų | 46 | 82.7 Ų | 82.7 | 38% | 0.38 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.7 | -38.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | L699 M700 L706 K707 | L699-A703 WeakPolarHBondContact O-CB 3.45Å; L699-A703 PolarHBondContact O-N 3.48Å; M700-A703 PolarHBondContact O-N 2.84Å; M700-A703 VanDerWaalsContact O-N 3.16Å; A703-L706 PolarHBondContact O-N 3.01Å; A703-K707 WeakPolarHBondContact O-CB 3.39Å; A703-K707 PolarHBondContact O-N 3.23Å |
| 704 | S | 56.8 | Low | 59.1 | Low | 74 Ų | 74 | 78.5 Ų | 78.5 | 52% | 0.517 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.3 | -49.2 | 172.7 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | M700 T701 L706 K707 E708 | M700-S704 PolarHBondContact O-N 3.4Å; M700-S704 PolarHBondContact O-OG 2.66Å; T701-S704 PolarHBondContact O-N 3.04Å; S704-L706 VanDerWaalsContact C-N 3.29Å; S704-L706 PolarHBondContact O-N 2.73Å; S704-K707 WeakPolarHBondContact O-CB 3.32Å; S704-K707 PolarHBondContact O-N 2.92Å; S704-K707 VanDerWaalsContact O-N 3.08Å; S704-E708 WeakPolarHBondContact O-CB 3.37Å; S704-E708 PolarHBondContact O-N 3.26Å |
| 705 | S | 58.5 | Low | 57.8 | Low | 54 Ų | 54 | 77.9 Ų | 77.9 | 38% | 0.378 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.8 | -31.4 | 177.5 | -172.8 | 0 | 0 | 0 | 0 | 112.9 | T701 K709 | T701-S705 PolarHBondContact O-N 3.45Å; S705-K709 WeakPolarHBondContact O-CB 3.32Å; S705-K709 WeakPolarHBondContact O-CG 3.38Å; S705-K709 PolarHBondContact O-N 3.27Å; S705-K709 VanDerWaalsContact O-N 3.08Å |
| 706 | L | 53.9 | Low | 56.4 | Low | 21 Ų | 21 | 79.2 Ų | 79.2 | 11% | 0.11 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -65.8 | -45.7 | 169.1 | 172.1 | 66.3 | 0 | 0 | 0 | 111.7 | S702 A703 S704 E708 K709 L710 P738 L739 V742 | S702-L706 VanDerWaalsContact O-CB 3.31Å; S702-L706 WeakPolarHBondContact O-CB 3.28Å; S702-L706 PolarHBondContact O-N 3.24Å; A703-L706 PolarHBondContact O-N 3.01Å; S704-L706 VanDerWaalsContact C-N 3.29Å; S704-L706 PolarHBondContact O-N 2.73Å; L706-E708 VanDerWaalsContact C-N 3.32Å; L706-E708 PolarHBondContact O-N 3.06Å; L706-K709 PolarHBondContact O-N 3.02Å; L706-L710 HydrophobicContact CD1-CD1 3.86Å; L706-L710 HydrophobicContact CD1-CG 4.09Å; L706-L710 HydrophobicContact CG-CD1 3.89Å; L706-L710 HydrophobicContact CG-CG 4.49Å; L706-L710 WeakPolarHBondContact O-CB 3.23Å; L706-L710 VanDerWaalsContact O-CG 3.28Å; L706-L710 WeakPolarHBondContact O-CG 3.31Å; L706-L710 PolarHBondContact O-N 2.84Å; L706-P738 HydrophobicContact CD1-CB 3.94Å; L706-P738 HydrophobicContact CD1-CG 3.69Å; L706-L739 HydrophobicContact CD2-CD1 3.93Å; L706-V742 HydrophobicContact CB-CG2 4.14Å; L706-V742 HydrophobicContact CD2-CB 4.17Å; L706-V742 HydrophobicContact CD2-CG1 4.2Å; L706-V742 HydrophobicContact CD2-CG2 3.89Å |
| 707 | K | 54 | Low | 55.2 | Low | 162 Ų | 162 | 85.5 Ų | 85.5 | 70% | 0.704 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.1 | -38.2 | 178.5 | -178.9 | 178.8 | 178.4 | 178.5 | 0 | 112 | A703 S704 R711 | A703-K707 WeakPolarHBondContact O-CB 3.39Å; A703-K707 PolarHBondContact O-N 3.23Å; S704-K707 WeakPolarHBondContact O-CB 3.32Å; S704-K707 PolarHBondContact O-N 2.92Å; S704-K707 VanDerWaalsContact O-N 3.08Å; K707-R711 WeakPolarHBondContact O-CB 3.43Å; K707-R711 PolarHBondContact O-N 3.11Å |
| 708 | E | 59.9 | Low | 53.9 | Low | 70 Ų | 70 | 87.6 Ų | 87.6 | 33% | 0.327 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.3 | -58.2 | 173.5 | -164.1 | 117 | -109.6 | 0 | 0 | 110.5 | S704 L706 L710 R711 D712 | S704-E708 WeakPolarHBondContact O-CB 3.37Å; S704-E708 PolarHBondContact O-N 3.26Å; L706-E708 VanDerWaalsContact C-N 3.32Å; L706-E708 PolarHBondContact O-N 3.06Å; E708-L710 PolarHBondContact O-N 3.28Å; E708-L710 VanDerWaalsContact O-N 3.16Å; E708-R711 WeakPolarHBondContact O-CA 3.39Å; E708-R711 WeakPolarHBondContact O-CB 3.17Å; E708-R711 PolarHBondContact O-N 2.9Å; E708-R711 IonicContact OE1-CZ 2.86Å; E708-R711 IonicContact OE1-NH1 2.95Å; E708-R711 PolarHBondContact OE1-NH1 2.88Å; E708-R711 IonicContact OE1-NH2 3.29Å; E708-R711 PolarHBondContact OE1-NH2 3.19Å; E708-D712 WeakPolarHBondContact CG-OD2 3.4Å; E708-D712 PolarHBondContact O-N 3.09Å |
| 709 | K | 55.1 | Low | 52.8 | Low | 117 Ų | 117 | 92 Ų | 92 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -28.7 | 178.9 | -70.6 | 175.7 | 178.4 | -178.7 | 0 | 113.9 | S705 L706 N713 | S705-K709 WeakPolarHBondContact O-CB 3.32Å; S705-K709 WeakPolarHBondContact O-CG 3.38Å; S705-K709 PolarHBondContact O-N 3.27Å; S705-K709 VanDerWaalsContact O-N 3.08Å; L706-K709 PolarHBondContact O-N 3.02Å; K709-N713 VanDerWaalsContact O-CB 3.24Å; K709-N713 WeakPolarHBondContact O-CB 3.42Å; K709-N713 PolarHBondContact O-N 3.4Å |
| 710 | L | 52.8 | Low | 51.5 | Low | 111 Ų | 111 | 97.6 Ų | 97.6 | 58% | 0.581 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -75 | -30.6 | 171.9 | -76.6 | 171.2 | 0 | 0 | 0 | 113.3 | L706 E708 G714 | L706-L710 HydrophobicContact CD1-CD1 3.86Å; L706-L710 HydrophobicContact CD1-CG 4.09Å; L706-L710 HydrophobicContact CG-CD1 3.89Å; L706-L710 HydrophobicContact CG-CG 4.49Å; L706-L710 WeakPolarHBondContact O-CB 3.23Å; L706-L710 VanDerWaalsContact O-CG 3.28Å; L706-L710 WeakPolarHBondContact O-CG 3.31Å; L706-L710 PolarHBondContact O-N 2.84Å; E708-L710 PolarHBondContact O-N 3.28Å; E708-L710 VanDerWaalsContact O-N 3.16Å; L710-G714 WeakPolarHBondContact O-CA 3.45Å; L710-G714 PolarHBondContact O-N 2.88Å |
| 711 | R | 56.2 | Low | 50.5 | Low | 130 Ų | 130 | 99.3 Ų | 99.3 | 49% | 0.491 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.9 | -47.2 | 172.1 | -177.2 | -164.7 | 67.5 | -142.5 | -7.4 | 109.9 | K707 E708 G714 A715 | K707-R711 WeakPolarHBondContact O-CB 3.43Å; K707-R711 PolarHBondContact O-N 3.11Å; E708-R711 WeakPolarHBondContact O-CA 3.39Å; E708-R711 WeakPolarHBondContact O-CB 3.17Å; E708-R711 PolarHBondContact O-N 2.9Å; E708-R711 IonicContact OE1-CZ 2.86Å; E708-R711 IonicContact OE1-NH1 2.95Å; E708-R711 PolarHBondContact OE1-NH1 2.88Å; E708-R711 IonicContact OE1-NH2 3.29Å; E708-R711 PolarHBondContact OE1-NH2 3.19Å; R711-G714 PolarHBondContact O-N 3.41Å; R711-G714 VanDerWaalsContact O-N 3.12Å; R711-A715 VanDerWaalsContact O-CB 3.32Å; R711-A715 WeakPolarHBondContact O-CB 3.2Å; R711-A715 PolarHBondContact O-N 3.04Å |
| 712 | D | 56.1 | Low | 48.9 | Very low | 91 Ų | 91 | 101 Ų | 101 | 49% | 0.487 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -75.1 | -35.6 | -171.1 | -54.2 | -26.3 | 0 | 0 | 0 | 111.8 | E708 G714 | E708-D712 WeakPolarHBondContact CG-OD2 3.4Å; E708-D712 PolarHBondContact O-N 3.09Å; D712-G714 VanDerWaalsContact C-N 3.33Å |
| 713 | N | 53.7 | Low | 47.7 | Very low | 139 Ų | 139 | 109.5 Ų | 109.5 | 74% | 0.743 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -11.2 | 168.6 | -68.3 | 13.3 | 0 | 0 | 0 | 113.6 | K709 | K709-N713 VanDerWaalsContact O-CB 3.24Å; K709-N713 WeakPolarHBondContact O-CB 3.42Å; K709-N713 PolarHBondContact O-N 3.4Å |
| 714 | G | 46.6 | Very low | 46.8 | Very low | 22 Ų | 22 | 115 Ų | 115 | 23% | 0.227 | 63% | 0.625 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -105.5 | -20.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L710 R711 D712 G716 | L710-G714 WeakPolarHBondContact O-CA 3.45Å; L710-G714 PolarHBondContact O-N 2.88Å; R711-G714 PolarHBondContact O-N 3.41Å; R711-G714 VanDerWaalsContact O-N 3.12Å; D712-G714 VanDerWaalsContact C-N 3.33Å; G714-G716 VanDerWaalsContact C-N 3.29Å; G714-G716 PolarHBondContact O-N 3.25Å |
| 715 | A | 42 | Very low | 45.7 | Very low | 89 Ų | 89 | 115.4 Ų | 115.4 | 74% | 0.736 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 10.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R711 | R711-A715 VanDerWaalsContact O-CB 3.32Å; R711-A715 WeakPolarHBondContact O-CB 3.2Å; R711-A715 PolarHBondContact O-N 3.04Å |
| 716 | G | 34.6 | Very low | 44.6 | Very low | 75 Ų | 75 | 117.7 Ų | 117.7 | 77% | 0.773 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.4 | 1.9 | -173 | 0 | 0 | 0 | 0 | 0 | 117.5 | G714 | G714-G716 VanDerWaalsContact C-N 3.29Å; G714-G716 PolarHBondContact O-N 3.25Å |
| 717 | Q | 38.4 | Very low | 43.5 | Very low | 177 Ų | 177 | 124.5 Ų | 124.5 | 83% | 0.827 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -153.8 | 21.6 | -173.1 | -146.9 | 172.3 | 21.5 | 0 | 0 | 115.6 | | |
| 718 | L | 40.2 | Very low | 42.5 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 64% | 0.644 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -119 | 3.2 | -172.1 | -100.7 | 166.5 | 0 | 0 | 0 | 116 | | |
| 719 | D | 40.1 | Very low | 41.1 | Very low | 173 Ų | 173 | 122.4 Ų | 122.4 | 93% | 0.925 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -90.6 | -1.2 | 178.7 | -71.2 | -50.2 | 0 | 0 | 0 | 114.1 | | |
| 720 | D | 35.9 | Very low | 40.1 | Very low | 147 Ų | 147 | 125.3 Ų | 125.3 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | | | trans | -131.5 | 37.5 | -165.4 | -148.4 | 18.8 | 0 | 0 | 0 | 113.7 | | |
| 721 | L | 39.7 | Very low | 39 | Very low | 151 Ų | 151 | 125.4 Ų | 125.4 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | | | trans | -122.2 | 72.6 | 171.6 | -84.1 | 168.9 | 0 | 0 | 0 | 110.5 | | |
| 722 | T | 35.4 | Very low | 37.6 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | trans | -66 | 161.1 | 167.3 | 46.3 | 0 | 0 | 0 | 0 | 112.1 | D724 | T722-D724 PolarHBondContact O-N 3.31Š|
| 723 | E | 37.3 | Very low | 36.5 | Very low | 200 Ų | 200 | 125 Ų | 125 | 94% | 0.935 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -56.8 | 105.3 | -176.6 | -57 | -179 | 136.3 | 0 | 0 | 113.1 | | |
| 724 | D | 36.6 | Very low | 35.4 | Very low | 160 Ų | 160 | 123.5 Ų | 123.5 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | | | trans | -148.2 | 134.2 | 156.2 | -135.5 | -26.8 | 0 | 0 | 0 | 112.6 | T722 S726 | T722-D724 PolarHBondContact O-N 3.31Å; D724-S726 PolarHBondContact O-N 3.42Å; D724-S726 VanDerWaalsContact O-N 3.14Å |
| 725 | G | 33.6 | Very low | 34.7 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | | | trans | -85.6 | 87.4 | -160.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 726 | S | 34.5 | Very low | 34.7 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | | | trans | -132.2 | 131.1 | 173.2 | 63.1 | 0 | 0 | 0 | 0 | 113.8 | D724 A728 | D724-S726 PolarHBondContact O-N 3.42Å; D724-S726 VanDerWaalsContact O-N 3.14Å; S726-A728 PolarHBondContact O-N 2.73Å |
| 727 | D | 31.4 | Very low | 34.9 | Very low | 165 Ų | 165 | 128.2 Ų | 128.2 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | | | trans | -72.5 | 72.5 | 175.8 | -78.9 | -63.9 | 0 | 0 | 0 | 111.4 | T729 | D727-T729 PolarHBondContact O-N 3.05Å; D727-T729 PolarHBondContact O-OG1 2.78Å |
| 728 | A | 32.4 | Very low | 35.9 | Very low | 77 Ų | 77 | 122.3 Ų | 122.3 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | | | trans | -62.6 | 92.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S726 L730 | S726-A728 PolarHBondContact O-N 2.73Å; A728-L730 PolarHBondContact O-N 3.24Å |
| 729 | T | 29.7 | Very low | 36.4 | Very low | 111 Ų | 111 | 121.2 Ų | 121.2 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | | | trans | -68.3 | 91.1 | -177.9 | -65.3 | 0 | 0 | 0 | 0 | 110.3 | D727 T731 | D727-T729 PolarHBondContact O-N 3.05Å; D727-T729 PolarHBondContact O-OG1 2.78Å; T729-T731 HydrophobicContact CG2-CG2 3.75Å; T729-T731 PolarHBondContact O-N 3.08Å |
| 730 | L | 35.7 | Very low | 37.4 | Very low | 177 Ų | 177 | 115.5 Ų | 115.5 | 93% | 0.927 | 72% | 0.722 | S | S | * | * | | | trans | -73.2 | 63 | 178.4 | -77.1 | 169.3 | 0 | 0 | 0 | 112.4 | A728 | A728-L730 PolarHBondContact O-N 3.24Š|
| 731 | T | 28.9 | Very low | 38.5 | Very low | 113 Ų | 113 | 112.4 Ų | 112.4 | 69% | 0.693 | 71% | 0.706 | S | S | * | * | | | trans | -85.4 | 128.7 | 170.1 | 43.8 | 0 | 0 | 0 | 0 | 111.9 | T729 | T729-T731 HydrophobicContact CG2-CG2 3.75Å; T729-T731 PolarHBondContact O-N 3.08Å |
| 732 | S | 27.2 | Very low | 39.5 | Very low | 124 Ų | 124 | 106.2 Ų | 106.2 | 87% | 0.867 | 67% | 0.674 | S | S | * | * | | | trans | 69.6 | 71.6 | 156.7 | -170.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 733 | A | 31.7 | Very low | 40.9 | Very low | 89 Ų | 89 | 104.6 Ų | 104.6 | 74% | 0.736 | 66% | 0.66 | S | S | * | * | | | trans | -131.1 | 147.4 | 143.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | C735 | A733-C735 VanDerWaalsContact C-N 3.33Å; A733-C735 PolarHBondContact O-N 2.86Å |
| 734 | A | 31.7 | Very low | 42.3 | Very low | 108 Ų | 108 | 100 Ų | 100 | 89% | 0.893 | 64% | 0.637 | S | S | * | * | | | trans | -82.7 | 63.4 | -163.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P736 | A734-P736 WeakPolarHBondContact O-CD 3.46Š|
| 735 | C | 32 | Very low | 43.7 | Very low | 90 Ų | 90 | 96.3 Ų | 96.3 | 61% | 0.608 | 61% | 0.613 | S | S | * | * | | | trans | -81 | 118.5 | 170.4 | -73 | 0 | 0 | 0 | 0 | 111.2 | A733 C737 | A733-C735 VanDerWaalsContact C-N 3.33Å; A733-C735 PolarHBondContact O-N 2.86Å; C735-C737 PolarHBondContact O-N 3.08Å; C735-C737 PolarHBondContact O-SG 3.35Å; C735-C737 VanDerWaalsContact O-SG 3.4Å |
| 736 | P | 41.4 | Very low | 45.1 | Very low | 119 Ų | 119 | 96.3 Ų | 96.3 | 77% | 0.773 | 59% | 0.593 | S | S | * | * | | | trans | -76.8 | 77.4 | 172.3 | 31.9 | -34.1 | 0 | 0 | 0 | 109.6 | A734 P738 | A734-P736 WeakPolarHBondContact O-CD 3.46Å; P736-P738 WeakPolarHBondContact O-CD 3.46Å |
| 737 | C | 40.2 | Very low | 46.7 | Very low | 76 Ų | 76 | 94.1 Ų | 94.1 | 51% | 0.514 | 58% | 0.575 | S | S | . | * | | | trans | -42.6 | 98.6 | -164.9 | -60.6 | 0 | 0 | 0 | 0 | 114.4 | C735 L739 S740 | C735-C737 PolarHBondContact O-N 3.08Å; C735-C737 PolarHBondContact O-SG 3.35Å; C735-C737 VanDerWaalsContact O-SG 3.4Å; C737-L739 PolarHBondContact O-N 2.98Å; C737-L739 VanDerWaalsContact O-N 3.16Å; C737-S740 VanDerWaalsContact O-CB 3.22Å; C737-S740 WeakPolarHBondContact O-CB 3.35Å; C737-S740 PolarHBondContact O-N 2.88Å |
| 738 | P | 57.7 | Low | 48.6 | Very low | 53 Ų | 53 | 90 Ų | 90 | 34% | 0.344 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.4 | -26.9 | -174.4 | 24.4 | -32.7 | 0 | 0 | 0 | 112.1 | L706 P736 S740 D741 V742 | L706-P738 HydrophobicContact CD1-CB 3.94Å; L706-P738 HydrophobicContact CD1-CG 3.69Å; P736-P738 WeakPolarHBondContact O-CD 3.46Å; P738-S740 PolarHBondContact O-N 3.45Å; P738-D741 PolarHBondContact O-N 3.02Å; P738-V742 PolarHBondContact O-N 3.34Å |
| 739 | L | 51.5 | Low | 50.1 | Low | 100 Ų | 100 | 87.8 Ų | 87.8 | 52% | 0.524 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -55 | -36.9 | 170.6 | -158.8 | 79.1 | 0 | 0 | 0 | 112.4 | L706 C737 I743 | L706-L739 HydrophobicContact CD2-CD1 3.93Å; C737-L739 PolarHBondContact O-N 2.98Å; C737-L739 VanDerWaalsContact O-N 3.16Å; L739-I743 HydrophobicContact CD2-CD1 4.21Å; L739-I743 HydrophobicContact CG-CD1 3.96Å; L739-I743 WeakPolarHBondContact O-CB 3.46Å; L739-I743 WeakPolarHBondContact O-CD1 3.46Å; L739-I743 WeakPolarHBondContact O-CG1 3.46Å; L739-I743 PolarHBondContact O-N 3.3Å |
| 740 | S | 61.2 | Low | 51.7 | Low | 52 Ų | 52 | 85.2 Ų | 85.2 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 179.8 | -166.9 | 0 | 0 | 0 | 0 | 111.6 | C737 P738 I743 K744 | C737-S740 VanDerWaalsContact O-CB 3.22Å; C737-S740 WeakPolarHBondContact O-CB 3.35Å; C737-S740 PolarHBondContact O-N 2.88Å; P738-S740 PolarHBondContact O-N 3.45Å; S740-I743 PolarHBondContact O-N 2.61Å; S740-K744 WeakPolarHBondContact O-CE 3.47Å; S740-K744 VanDerWaalsContact O-CG 3.23Å; S740-K744 WeakPolarHBondContact O-CG 3.47Å; S740-K744 PolarHBondContact O-N 3.11Å; S740-K744 WeakPolarHBondContact OG-CE 3.4Å; S740-K744 PolarHBondContact OG-NZ 3.29Å |
| 741 | D | 58.7 | Low | 53.4 | Low | 83 Ų | 83 | 82.1 Ų | 82.1 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -77.7 | -32.9 | -179.8 | -71.2 | -23.6 | 0 | 0 | 0 | 112.5 | P738 K744 K745 | P738-D741 PolarHBondContact O-N 3.02Å; D741-K744 PolarHBondContact O-N 3.25Å; D741-K744 WeakPolarHBondContact OD1-CD 3.36Å; D741-K744 WeakPolarHBondContact OD1-CE 3.31Å; D741-K744 IonicContact OD1-NZ 4Å; D741-K744 PolarHBondContact OD1-NZ 2.89Å; D741-K745 WeakPolarHBondContact O-CB 3.26Å; D741-K745 WeakPolarHBondContact O-CG 3.17Å; D741-K745 PolarHBondContact O-N 3.4Å |
| 742 | V | 59.9 | Low | 55.3 | Low | 21 Ų | 21 | 77.9 Ų | 77.9 | 13% | 0.127 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 168.3 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | L706 P738 K744 K745 L746 | L706-V742 HydrophobicContact CB-CG2 4.14Å; L706-V742 HydrophobicContact CD2-CB 4.17Å; L706-V742 HydrophobicContact CD2-CG1 4.2Å; L706-V742 HydrophobicContact CD2-CG2 3.89Å; P738-V742 PolarHBondContact O-N 3.34Å; V742-K744 PolarHBondContact O-N 2.75Å; V742-K745 PolarHBondContact O-N 2.88Å; V742-L746 VanDerWaalsContact O-CB 3.28Å; V742-L746 WeakPolarHBondContact O-CB 3.47Å; V742-L746 PolarHBondContact O-N 3.2Å |
| 743 | I | 64.7 | Low | 57.2 | Low | 93 Ų | 93 | 76.6 Ų | 76.6 | 48% | 0.477 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 175.6 | -71 | 165 | 0 | 0 | 0 | 111.4 | L739 S740 T747 | L739-I743 HydrophobicContact CD2-CD1 4.21Å; L739-I743 HydrophobicContact CG-CD1 3.96Å; L739-I743 WeakPolarHBondContact O-CB 3.46Å; L739-I743 WeakPolarHBondContact O-CD1 3.46Å; L739-I743 WeakPolarHBondContact O-CG1 3.46Å; L739-I743 PolarHBondContact O-N 3.3Å; S740-I743 PolarHBondContact O-N 2.61Å; I743-T747 VanDerWaalsContact O-CB 3.29Å; I743-T747 WeakPolarHBondContact O-CB 3.18Å; I743-T747 PolarHBondContact O-N 3.32Å; I743-T747 PolarHBondContact O-OG1 3.48Å |
| 744 | K | 68.5 | Low | 59.1 | Low | 105 Ų | 105 | 77.1 Ų | 77.1 | 46% | 0.457 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.1 | -49.7 | 174.2 | -71.7 | 164.6 | -146.6 | 161.8 | 0 | 111.4 | S740 D741 V742 T747 I748 | S740-K744 WeakPolarHBondContact O-CE 3.47Å; S740-K744 VanDerWaalsContact O-CG 3.23Å; S740-K744 WeakPolarHBondContact O-CG 3.47Å; S740-K744 PolarHBondContact O-N 3.11Å; S740-K744 WeakPolarHBondContact OG-CE 3.4Å; S740-K744 PolarHBondContact OG-NZ 3.29Å; D741-K744 PolarHBondContact O-N 3.25Å; D741-K744 WeakPolarHBondContact OD1-CD 3.36Å; D741-K744 WeakPolarHBondContact OD1-CE 3.31Å; D741-K744 IonicContact OD1-NZ 4Å; D741-K744 PolarHBondContact OD1-NZ 2.89Å; V742-K744 PolarHBondContact O-N 2.75Å; K744-T747 WeakPolarHBondContact O-CB 3.35Å; K744-T747 PolarHBondContact O-N 3.16Å; K744-I748 WeakPolarHBondContact O-CG1 3.47Å; K744-I748 PolarHBondContact O-N 3Å |
| 745 | K | 65.2 | Low | 60.9 | Low | 81 Ų | 81 | 73.8 Ų | 73.8 | 35% | 0.352 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 178.3 | -73 | -177.1 | -178.4 | -170.7 | 0 | 111.8 | L699 S702 D741 V742 T747 I748 V749 | L699-K745 HydrophobicContact CD1-CB 3.95Å; S702-K745 VanDerWaalsContact OG-CD 3.3Å; S702-K745 WeakPolarHBondContact OG-CD 3.22Å; S702-K745 PolarHBondContact OG-NZ 2.82Å; D741-K745 WeakPolarHBondContact O-CB 3.26Å; D741-K745 WeakPolarHBondContact O-CG 3.17Å; D741-K745 PolarHBondContact O-N 3.4Å; V742-K745 PolarHBondContact O-N 2.88Å; K745-T747 VanDerWaalsContact C-N 3.32Å; K745-T747 PolarHBondContact O-N 3.1Å; K745-I748 WeakPolarHBondContact O-CB 3.47Å; K745-I748 PolarHBondContact O-N 3.45Å; K745-I748 VanDerWaalsContact O-N 3.12Å; K745-V749 WeakPolarHBondContact O-CG2 3.45Å; K745-V749 PolarHBondContact O-N 2.95Å |
| 746 | L | 63.9 | Low | 62.5 | Low | 84 Ų | 84 | 70.9 Ų | 70.9 | 44% | 0.44 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 175.9 | -164.4 | 112.9 | 0 | 0 | 0 | 111.4 | L699 V742 I748 V749 D750 | L699-L746 HydrophobicContact CD1-CB 4.04Å; L699-L746 HydrophobicContact CD1-CD1 4.22Å; L699-L746 HydrophobicContact CD2-CD1 4.17Å; V742-L746 VanDerWaalsContact O-CB 3.28Å; V742-L746 WeakPolarHBondContact O-CB 3.47Å; V742-L746 PolarHBondContact O-N 3.2Å; L746-I748 VanDerWaalsContact C-N 3.33Å; L746-I748 PolarHBondContact O-N 3.05Å; L746-V749 PolarHBondContact O-N 3Å; L746-D750 WeakPolarHBondContact O-CB 3.42Å; L746-D750 PolarHBondContact O-N 2.89Å |
| 747 | T | 66.7 | Low | 63.8 | Low | 55 Ų | 55 | 69.9 Ų | 69.9 | 34% | 0.337 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.2 | -33.5 | 175.3 | -59.2 | 0 | 0 | 0 | 0 | 112.8 | I743 K744 K745 K751 | I743-T747 VanDerWaalsContact O-CB 3.29Å; I743-T747 WeakPolarHBondContact O-CB 3.18Å; I743-T747 PolarHBondContact O-N 3.32Å; I743-T747 PolarHBondContact O-OG1 3.48Å; K744-T747 WeakPolarHBondContact O-CB 3.35Å; K744-T747 PolarHBondContact O-N 3.16Å; K745-T747 VanDerWaalsContact C-N 3.32Å; K745-T747 PolarHBondContact O-N 3.1Å; T747-K751 HydrophobicContact CG2-CD 4.31Å; T747-K751 WeakPolarHBondContact O-CB 3.43Å; T747-K751 WeakPolarHBondContact O-CD 3.38Å; T747-K751 VanDerWaalsContact O-CG 3.24Å; T747-K751 WeakPolarHBondContact O-CG 3.35Å; T747-K751 PolarHBondContact O-N 3.48Å |
| 748 | I | 71.7 | Confident | 65.2 | Low | 78 Ų | 78 | 74.9 Ų | 74.9 | 40% | 0.4 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.7 | -46.9 | 174.6 | -69.2 | 162.2 | 0 | 0 | 0 | 109.9 | L695 K744 K745 L746 D750 K751 T752 | L695-I748 HydrophobicContact CD1-CG2 4.29Å; L695-I748 HydrophobicContact CD2-CG2 4.2Å; K744-I748 WeakPolarHBondContact O-CG1 3.47Å; K744-I748 PolarHBondContact O-N 3Å; K745-I748 WeakPolarHBondContact O-CB 3.47Å; K745-I748 PolarHBondContact O-N 3.45Å; K745-I748 VanDerWaalsContact O-N 3.12Å; L746-I748 VanDerWaalsContact C-N 3.33Å; L746-I748 PolarHBondContact O-N 3.05Å; I748-D750 PolarHBondContact O-N 3.16Å; I748-K751 PolarHBondContact O-N 3.04Å; I748-T752 PolarHBondContact O-N 2.88Å; I748-T752 PolarHBondContact O-OG1 3.04Å |
| 749 | V | 64.8 | Low | 65.6 | Low | 31 Ų | 31 | 76.3 Ų | 76.3 | 19% | 0.188 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.1 | -48.4 | 176.4 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | L695 L699 K745 L746 K751 T752 L753 | L695-V749 HydrophobicContact CB-CG2 3.85Å; L699-V749 HydrophobicContact CD2-CB 4.45Å; L699-V749 HydrophobicContact CD2-CG1 4.46Å; L699-V749 HydrophobicContact CD2-CG2 4.14Å; K745-V749 WeakPolarHBondContact O-CG2 3.45Å; K745-V749 PolarHBondContact O-N 2.95Å; L746-V749 PolarHBondContact O-N 3Å; V749-K751 PolarHBondContact O-N 3.44Å; V749-T752 PolarHBondContact O-N 2.89Å; V749-L753 WeakPolarHBondContact O-CB 3.49Å; V749-L753 PolarHBondContact O-N 3.3Å |
| 750 | D | 62.6 | Low | 66.4 | Low | 57 Ų | 57 | 74 Ų | 74 | 31% | 0.305 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -56.4 | -48 | 176.8 | 174.1 | 66.4 | 0 | 0 | 0 | 112.5 | L746 I748 L753 K754 | L746-D750 WeakPolarHBondContact O-CB 3.42Å; L746-D750 PolarHBondContact O-N 2.89Å; I748-D750 PolarHBondContact O-N 3.16Å; D750-L753 PolarHBondContact O-N 3.06Å; D750-K754 WeakPolarHBondContact O-CB 3.32Å; D750-K754 WeakPolarHBondContact O-CG 3.34Å; D750-K754 PolarHBondContact O-N 3.34Å; D750-K754 WeakPolarHBondContact OD1-CE 3.24Å; D750-K754 IonicContact OD1-NZ 3.14Å; D750-K754 PolarHBondContact OD1-NZ 3.06Å; D750-K754 IonicContact OD2-NZ 2.88Å; D750-K754 PolarHBondContact OD2-NZ 3.43Å |
| 751 | K | 72 | Confident | 66.7 | Low | 113 Ų | 113 | 74.6 Ų | 74.6 | 49% | 0.491 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 176.1 | -74.5 | 170.1 | -179.2 | 176.4 | 0 | 111.7 | T747 I748 V749 L753 K754 I755 | T747-K751 HydrophobicContact CG2-CD 4.31Å; T747-K751 WeakPolarHBondContact O-CB 3.43Å; T747-K751 WeakPolarHBondContact O-CD 3.38Å; T747-K751 VanDerWaalsContact O-CG 3.24Å; T747-K751 WeakPolarHBondContact O-CG 3.35Å; T747-K751 PolarHBondContact O-N 3.48Å; I748-K751 PolarHBondContact O-N 3.04Å; V749-K751 PolarHBondContact O-N 3.44Å; K751-L753 VanDerWaalsContact C-N 3.34Å; K751-L753 PolarHBondContact O-N 3.27Å; K751-K754 PolarHBondContact O-N 3.46Å; K751-I755 VanDerWaalsContact O-CG1 3.28Å; K751-I755 WeakPolarHBondContact O-CG1 3.35Å; K751-I755 PolarHBondContact O-N 3.03Å |
| 752 | T | 67.4 | Low | 67.1 | Low | 23 Ų | 23 | 75.8 Ų | 75.8 | 14% | 0.141 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 179.5 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | I692 I748 V749 T756 | I692-T752 HydrophobicContact CD1-CG2 4.37Å; I692-T752 HydrophobicContact CG1-CG2 3.75Å; I748-T752 PolarHBondContact O-N 2.88Å; I748-T752 PolarHBondContact O-OG1 3.04Å; V749-T752 PolarHBondContact O-N 2.89Å; T752-T756 WeakPolarHBondContact O-CB 3.29Å; T752-T756 PolarHBondContact O-N 2.9Å; T752-T756 PolarHBondContact O-OG1 2.93Å |
| 753 | L | 68.2 | Low | 67.2 | Low | 98 Ų | 98 | 78.3 Ų | 78.3 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.4 | -45.9 | 176.1 | -173 | 65.2 | 0 | 0 | 0 | 111.4 | V749 D750 K751 I755 T756 H757 | V749-L753 WeakPolarHBondContact O-CB 3.49Å; V749-L753 PolarHBondContact O-N 3.3Å; D750-L753 PolarHBondContact O-N 3.06Å; K751-L753 VanDerWaalsContact C-N 3.34Å; K751-L753 PolarHBondContact O-N 3.27Å; L753-I755 PolarHBondContact O-N 2.85Å; L753-T756 PolarHBondContact O-N 3.24Å; L753-H757 WeakPolarHBondContact O-CB 3.44Å; L753-H757 PolarHBondContact O-N 3.21Å |
| 754 | K | 70.2 | Confident | 67.1 | Low | 100 Ų | 100 | 78 Ų | 78 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 177.1 | -77.2 | 168.9 | 176.5 | 158.7 | 0 | 113.1 | D750 K751 R758 | D750-K754 WeakPolarHBondContact O-CB 3.32Å; D750-K754 WeakPolarHBondContact O-CG 3.34Å; D750-K754 PolarHBondContact O-N 3.34Å; D750-K754 WeakPolarHBondContact OD1-CE 3.24Å; D750-K754 IonicContact OD1-NZ 3.14Å; D750-K754 PolarHBondContact OD1-NZ 3.06Å; D750-K754 IonicContact OD2-NZ 2.88Å; D750-K754 PolarHBondContact OD2-NZ 3.43Å; K751-K754 PolarHBondContact O-N 3.46Å; K754-R758 WeakPolarHBondContact O-CG 3.48Å; K754-R758 PolarHBondContact O-N 2.85Å; K754-R758 VanDerWaalsContact O-N 3.11Å |
| 755 | I | 71.5 | Confident | 67 | Low | 37 Ų | 37 | 76.9 Ų | 76.9 | 19% | 0.19 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 173 | -67 | 162.8 | 0 | 0 | 0 | 110.3 | L499 L503 I506 K751 L753 H757 R758 M759 | L499-I755 HydrophobicContact CD2-CG2 4.49Å; L503-I755 HydrophobicContact CD2-CG2 4.13Å; I506-I755 HydrophobicContact CD1-CD1 4.28Å; K751-I755 VanDerWaalsContact O-CG1 3.28Å; K751-I755 WeakPolarHBondContact O-CG1 3.35Å; K751-I755 PolarHBondContact O-N 3.03Å; L753-I755 PolarHBondContact O-N 2.85Å; I755-H757 PolarHBondContact O-N 3.44Å; I755-R758 WeakPolarHBondContact O-CB 3.28Å; I755-R758 PolarHBondContact O-N 2.66Å; I755-M759 HydrophobicContact CG2-SD 4.34Å; I755-M759 WeakPolarHBondContact O-CG 3.3Å; I755-M759 PolarHBondContact O-N 3.28Å |
| 756 | T | 64.9 | Low | 66.4 | Low | 29 Ų | 29 | 80 Ų | 80 | 18% | 0.178 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.5 | -43 | 179.5 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | I692 T752 L753 R758 M759 V760 | I692-T756 HydrophobicContact CD1-CG2 4.15Å; T752-T756 WeakPolarHBondContact O-CB 3.29Å; T752-T756 PolarHBondContact O-N 2.9Å; T752-T756 PolarHBondContact O-OG1 2.93Å; L753-T756 PolarHBondContact O-N 3.24Å; T756-R758 PolarHBondContact O-N 3.14Å; T756-M759 PolarHBondContact O-N 2.88Å; T756-V760 WeakPolarHBondContact O-CG2 3.45Å; T756-V760 PolarHBondContact O-N 3.07Å |
| 757 | H | 68.4 | Low | 65.7 | Low | 98 Ų | 98 | 79 Ų | 79 | 45% | 0.454 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 174.3 | -179.3 | -132.5 | 0 | 0 | 0 | 112.2 | L753 I755 M759 V760 N761 | L753-H757 WeakPolarHBondContact O-CB 3.44Å; L753-H757 PolarHBondContact O-N 3.21Å; I755-H757 PolarHBondContact O-N 3.44Å; H757-M759 PolarHBondContact O-N 3.01Å; H757-V760 PolarHBondContact O-N 2.95Å; H757-N761 PolarHBondContact CD2-ND2 2.93Å; H757-N761 PolarHBondContact CE1-ND2 2.75Å; H757-N761 VanDerWaalsContact CE1-ND2 3.33Å; H757-N761 PolarHBondContact NE2-ND2 3.08Å; H757-N761 WeakPolarHBondContact O-CB 3.41Å; H757-N761 VanDerWaalsContact O-CG 3.26Å; H757-N761 PolarHBondContact O-N 3.4Å |
| 758 | R | 69.5 | Low | 64.8 | Low | 181 Ų | 181 | 83.7 Ų | 83.7 | 68% | 0.683 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.6 | -43.7 | 173.4 | -74.6 | 176.2 | -179.6 | -174.3 | -0.2 | 112.3 | K754 I755 T756 N761 Q762 | K754-R758 WeakPolarHBondContact O-CG 3.48Å; K754-R758 PolarHBondContact O-N 2.85Å; K754-R758 VanDerWaalsContact O-N 3.11Å; I755-R758 WeakPolarHBondContact O-CB 3.28Å; I755-R758 PolarHBondContact O-N 2.66Å; T756-R758 PolarHBondContact O-N 3.14Å; R758-N761 PolarHBondContact O-N 2.95Å; R758-Q762 WeakPolarHBondContact O-CB 3.42Å; R758-Q762 WeakPolarHBondContact O-CG 3.36Å; R758-Q762 PolarHBondContact O-N 3.19Å |
| 759 | M | 67.1 | Low | 63.2 | Low | 84 Ų | 84 | 84 Ų | 84 | 41% | 0.414 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 177.7 | -70.3 | 179.9 | 68.7 | 0 | 0 | 112.1 | L503 I755 T756 H757 Q762 M763 | L503-M759 HydrophobicContact CD1-SD 4.27Å; I755-M759 HydrophobicContact CG2-SD 4.34Å; I755-M759 WeakPolarHBondContact O-CG 3.3Å; I755-M759 PolarHBondContact O-N 3.28Å; T756-M759 PolarHBondContact O-N 2.88Å; H757-M759 PolarHBondContact O-N 3.01Å; M759-Q762 PolarHBondContact O-N 3.42Å; M759-M763 WeakPolarHBondContact O-CG 3.27Å; M759-M763 PolarHBondContact O-N 3Å |
| 760 | V | 66.7 | Low | 61.9 | Low | 50 Ų | 50 | 87.8 Ų | 87.8 | 30% | 0.303 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 175.8 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | T756 H757 Q762 M763 L764 | T756-V760 WeakPolarHBondContact O-CG2 3.45Å; T756-V760 PolarHBondContact O-N 3.07Å; H757-V760 PolarHBondContact O-N 2.95Å; V760-Q762 VanDerWaalsContact C-N 3.33Å; V760-Q762 PolarHBondContact O-N 3.41Å; V760-M763 HydrophobicContact CG2-CE 4.46Å; V760-M763 PolarHBondContact O-N 3.12Å; V760-L764 HydrophobicContact CG1-CD1 3.8Å; V760-L764 HydrophobicContact CG1-CG 4.38Å; V760-L764 WeakPolarHBondContact O-CG 3.32Å; V760-L764 PolarHBondContact O-N 2.87Å |
| 761 | N | 68.1 | Low | 60.8 | Low | 65 Ų | 65 | 92.6 Ų | 92.6 | 35% | 0.348 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.5 | -32.4 | 179.9 | -66.4 | -5 | 0 | 0 | 0 | 112.5 | H757 R758 S765 | H757-N761 PolarHBondContact CD2-ND2 2.93Å; H757-N761 PolarHBondContact CE1-ND2 2.75Å; H757-N761 VanDerWaalsContact CE1-ND2 3.33Å; H757-N761 PolarHBondContact NE2-ND2 3.08Å; H757-N761 WeakPolarHBondContact O-CB 3.41Å; H757-N761 VanDerWaalsContact O-CG 3.26Å; H757-N761 PolarHBondContact O-N 3.4Å; R758-N761 PolarHBondContact O-N 2.95Å; N761-S765 VanDerWaalsContact O-CB 3.26Å; N761-S765 WeakPolarHBondContact O-CB 3.46Å; N761-S765 PolarHBondContact O-N 3.48Å; N761-S765 PolarHBondContact O-OG 3.04Å |
| 762 | Q | 66.8 | Low | 59.1 | Low | 109 Ų | 109 | 94.1 Ų | 94.1 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 171.2 | -79.2 | 178.4 | -22.2 | 0 | 0 | 112 | R758 M759 V760 S765 Q766 | R758-Q762 WeakPolarHBondContact O-CB 3.42Å; R758-Q762 WeakPolarHBondContact O-CG 3.36Å; R758-Q762 PolarHBondContact O-N 3.19Å; M759-Q762 PolarHBondContact O-N 3.42Å; V760-Q762 VanDerWaalsContact C-N 3.33Å; V760-Q762 PolarHBondContact O-N 3.41Å; Q762-S765 PolarHBondContact O-N 3.19Å; Q762-Q766 WeakPolarHBondContact O-CG 3.23Å; Q762-Q766 PolarHBondContact O-N 3.31Å |
| 763 | M | 61.9 | Low | 57.5 | Low | 74 Ų | 74 | 95.8 Ų | 95.8 | 37% | 0.365 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 175.7 | -68.6 | -170.7 | -59.1 | 0 | 0 | 112 | V682 M759 V760 S765 Q766 S767 | V682-M763 HydrophobicContact CG1-CE 3.72Å; V682-M763 HydrophobicContact CG1-SD 4.13Å; M759-M763 WeakPolarHBondContact O-CG 3.27Å; M759-M763 PolarHBondContact O-N 3Å; V760-M763 HydrophobicContact CG2-CE 4.46Å; V760-M763 PolarHBondContact O-N 3.12Å; M763-S765 VanDerWaalsContact C-N 3.29Å; M763-S765 PolarHBondContact O-N 2.82Å; M763-Q766 PolarHBondContact O-N 3.25Å; M763-S767 PolarHBondContact O-N 2.88Å; M763-S767 VanDerWaalsContact O-N 3.16Å |
| 764 | L | 63.9 | Low | 55.7 | Low | 85 Ų | 85 | 94.9 Ų | 94.9 | 45% | 0.445 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -31.3 | 176.4 | -67.8 | 172.2 | 0 | 0 | 0 | 112.6 | V760 S767 V781 | V760-L764 HydrophobicContact CG1-CD1 3.8Å; V760-L764 HydrophobicContact CG1-CG 4.38Å; V760-L764 WeakPolarHBondContact O-CG 3.32Å; V760-L764 PolarHBondContact O-N 2.87Å; L764-S767 PolarHBondContact O-OG 2.84Å; L764-V781 HydrophobicContact CD2-CG1 4.4Å |
| 765 | S | 65.1 | Low | 53.9 | Low | 82 Ų | 82 | 93.4 Ų | 93.4 | 57% | 0.573 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -72.2 | -39.1 | 173.7 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | N761 Q762 M763 S767 K768 | N761-S765 VanDerWaalsContact O-CB 3.26Å; N761-S765 WeakPolarHBondContact O-CB 3.46Å; N761-S765 PolarHBondContact O-N 3.48Å; N761-S765 PolarHBondContact O-OG 3.04Å; Q762-S765 PolarHBondContact O-N 3.19Å; M763-S765 VanDerWaalsContact C-N 3.29Å; M763-S765 PolarHBondContact O-N 2.82Å; S765-S767 VanDerWaalsContact C-N 3.28Å; S765-S767 PolarHBondContact O-N 3.36Å; S765-K768 PolarHBondContact O-N 3.08Å |
| 766 | Q | 53.9 | Low | 51.9 | Low | 147 Ų | 147 | 95.5 Ų | 95.5 | 69% | 0.687 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.1 | -27.8 | 177 | -75.1 | 177 | 1.4 | 0 | 0 | 112.8 | Q762 M763 K768 | Q762-Q766 WeakPolarHBondContact O-CG 3.23Å; Q762-Q766 PolarHBondContact O-N 3.31Å; M763-Q766 PolarHBondContact O-N 3.25Å; Q766-K768 PolarHBondContact O-N 3.06Å; Q766-K768 VanDerWaalsContact O-N 3.15Å |
| 767 | S | 48.7 | Very low | 50.6 | Low | 64 Ų | 64 | 100 Ų | 100 | 45% | 0.448 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.5 | 0.4 | 175.1 | 57.1 | 0 | 0 | 0 | 0 | 115.5 | M763 L764 S765 | M763-S767 PolarHBondContact O-N 2.88Å; M763-S767 VanDerWaalsContact O-N 3.16Å; L764-S767 PolarHBondContact O-OG 2.84Å; S765-S767 VanDerWaalsContact C-N 3.28Å; S765-S767 PolarHBondContact O-N 3.36Å |
| 768 | K | 47.2 | Very low | 49 | Very low | 153 Ų | 153 | 104.7 Ų | 104.7 | 67% | 0.665 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 9.2 | 177.6 | -75.6 | -173.5 | 173.3 | -179.7 | 0 | 115.1 | S765 Q766 P770 | S765-K768 PolarHBondContact O-N 3.08Å; Q766-K768 PolarHBondContact O-N 3.06Å; Q766-K768 VanDerWaalsContact O-N 3.15Å; K768-P770 WeakPolarHBondContact O-CD 3.35Å |
| 769 | S | 39.3 | Very low | 47.2 | Very low | 85 Ų | 85 | 100.2 Ų | 100.2 | 59% | 0.594 | 61% | 0.614 | S | S | * | * | | | trans | -65.5 | 119.5 | 169.9 | 51.3 | 0 | 0 | 0 | 0 | 110.3 | I771 | S769-I771 PolarHBondContact O-N 3.43Š|
| 770 | P | 37.5 | Very low | 45.6 | Very low | 110 Ų | 110 | 102 Ų | 102 | 71% | 0.714 | 63% | 0.63 | S | S | * | * | | | trans | -71.9 | 115.5 | -177.9 | 28 | -33.1 | 0 | 0 | 0 | 109.9 | K768 V772 | K768-P770 WeakPolarHBondContact O-CD 3.35Å; P770-V772 VanDerWaalsContact C-N 3.26Å; P770-V772 HydrophobicContact CB-CG2 4.42Å; P770-V772 PolarHBondContact O-N 3.23Å |
| 771 | I | 39.5 | Very low | 43.9 | Very low | 158 Ų | 158 | 106.8 Ų | 106.8 | 81% | 0.81 | 66% | 0.659 | S | S | * | * | | | trans | -73.9 | 86.1 | 169.7 | -57 | 179 | 0 | 0 | 0 | 108 | S769 G773 | S769-I771 PolarHBondContact O-N 3.43Å; I771-G773 PolarHBondContact O-N 2.84Å |
| 772 | V | 36.1 | Very low | 42.7 | Very low | 145 Ų | 145 | 108.9 Ų | 108.9 | 88% | 0.879 | 67% | 0.674 | S | S | * | * | | | trans | -69.5 | 83.4 | 171.1 | -178 | 0 | 0 | 0 | 0 | 107.9 | P770 | P770-V772 VanDerWaalsContact C-N 3.26Å; P770-V772 HydrophobicContact CB-CG2 4.42Å; P770-V772 PolarHBondContact O-N 3.23Å |
| 773 | G | 33 | Very low | 41.4 | Very low | 58 Ų | 58 | 108.8 Ų | 108.8 | 60% | 0.598 | 68% | 0.683 | S | S | * | * | | | trans | -163.6 | 25.8 | -161.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | I771 | I771-G773 PolarHBondContact O-N 2.84Š|
| 774 | G | 30.9 | Very low | 40.3 | Very low | 78 Ų | 78 | 110.8 Ų | 110.8 | 80% | 0.804 | 70% | 0.701 | S | S | * | * | | | trans | 75.4 | 146.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 775 | G | 30.9 | Very low | 38.9 | Very low | 69 Ų | 69 | 112.3 Ų | 112.3 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 80.8 | 91.6 | 170 | 0 | 0 | 0 | 0 | 0 | 114.8 | N777 | G775-N777 PolarHBondContact O-N 3.5Š|
| 776 | G | 30.2 | Very low | 37.2 | Very low | 82 Ų | 82 | 114.2 Ų | 114.2 | 85% | 0.845 | 73% | 0.725 | S | S | * | * | | | trans | -55.7 | 121.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 777 | N | 37 | Very low | 36.1 | Very low | 122 Ų | 122 | 112 Ų | 112 | 65% | 0.652 | 73% | 0.727 | S | S | * | * | | | trans | -147.8 | 115.4 | 161.9 | -78.5 | -89.2 | 0 | 0 | 0 | 107.1 | G775 S779 | G775-N777 PolarHBondContact O-N 3.5Å; N777-S779 PolarHBondContact O-N 3.14Å |
| 778 | E | 35.1 | Very low | 35.2 | Very low | 197 Ų | 197 | 115.4 Ų | 115.4 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | | | trans | -69 | 96.3 | -177.9 | -64 | 174.4 | 120.2 | 0 | 0 | 110.6 | T780 | E778-T780 PolarHBondContact O-N 3.05Å; E778-T780 VanDerWaalsContact O-N 3.09Å |
| 779 | S | 31.8 | Very low | 34.3 | Very low | 88 Ų | 88 | 112.5 Ų | 112.5 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | | | trans | -83.7 | 81.3 | -179.9 | -167.2 | 0 | 0 | 0 | 0 | 110.6 | N777 V781 | N777-S779 PolarHBondContact O-N 3.14Å; S779-V781 PolarHBondContact O-N 2.78Å |
| 780 | T | 34.4 | Very low | 33.9 | Very low | 121 Ų | 121 | 114.8 Ų | 114.8 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | trans | -64.1 | 128 | 169.5 | -32.6 | 0 | 0 | 0 | 0 | 109.9 | E778 | E778-T780 PolarHBondContact O-N 3.05Å; E778-T780 VanDerWaalsContact O-N 3.09Å |
| 781 | V | 30.1 | Very low | 33.5 | Very low | 150 Ų | 150 | 115.3 Ų | 115.3 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | | | trans | -77.8 | 0 | 170.6 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | L764 S779 | L764-V781 HydrophobicContact CD2-CG1 4.4Å; S779-V781 PolarHBondContact O-N 2.78Å |