| 1 | M | 39.4 | Very low | 38.5 | Very low | 253 Ų | 253 | 122.4 Ų | 122.4 | 100% | 1.246 | 83% | 0.828 | S | S | * | * | | | | 0 | 136.3 | 0 | -60.8 | 167.9 | 177.5 | 0 | 0 | 107.2 | | |
| 2 | G | 35.8 | Very low | 38.5 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | | | cis | 174.6 | 131.2 | -10.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 3 | G | 37.4 | Very low | 38.2 | Very low | 86 Ų | 86 | 130.5 Ų | 130.5 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | | | trans | 100.5 | 139.3 | 152.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 4 | A | 41.7 | Very low | 38.3 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | | | cis | -143.2 | 160.6 | -15 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 5 | G | 36.5 | Very low | 38.2 | Very low | 78 Ų | 78 | 127.5 Ų | 127.5 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | | 75.8 | 141 | 80.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 6 | S | 42.2 | Very low | 38.1 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | cis | -171.5 | 165 | 7 | 77.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 7 | V | 42 | Very low | 38.2 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 67% | 0.673 | 79% | 0.794 | S | S | * | * | | | cis | -167.5 | 140.7 | -6.4 | 113.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 8 | F | 35.4 | Very low | 38.2 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | 65.8 | 174.3 | 154.3 | -76.2 | -143.9 | 0 | 0 | 0 | 120 | | |
| 9 | T | 41.3 | Very low | 38.5 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 62% | 0.62 | 78% | 0.783 | S | S | * | * | | | | -163.1 | -176.2 | -56.1 | 44.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 10 | L | 39.8 | Very low | 38.4 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | | | trans | 84.6 | 141.8 | 168.2 | -49.1 | 174.5 | 0 | 0 | 0 | 116 | | |
| 11 | G | 31.7 | Very low | 38.4 | Very low | 69 Ų | 69 | 139.4 Ų | 139.4 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | cis | -171.2 | 123.7 | -4.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 12 | R | 39.2 | Very low | 38.2 | Very low | 234 Ų | 234 | 132.2 Ų | 132.2 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | | | trans | 18.6 | 118.4 | 151.2 | -70.7 | 179.2 | 171.8 | 173.7 | -2.9 | 120.8 | | |
| 13 | S | 34.6 | Very low | 38.1 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | | 70.4 | 166 | 123 | -47.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 14 | A | 39 | Very low | 37.7 | Very low | 78 Ų | 78 | 133.2 Ų | 133.2 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | | | cis | -153.2 | 162.4 | 12 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 15 | L | 36.4 | Very low | 37.3 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | | | | 32.8 | 143.4 | 124 | -53.7 | 178.5 | 0 | 0 | 0 | 119.4 | | |
| 16 | R | 37.6 | Very low | 37.4 | Very low | 166 Ų | 166 | 145.3 Ų | 145.3 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | | | cis | -178 | 146.8 | 13.7 | -117.5 | 169.7 | -166.5 | -176.8 | 8.5 | 110.6 | | |
| 17 | R | 39.7 | Very low | 36.9 | Very low | 187 Ų | 187 | 146.8 Ų | 146.8 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | 62.2 | 169.5 | 138.4 | -70.6 | 173 | -166 | 175.1 | 0.8 | 118.4 | | |
| 18 | D | 38.3 | Very low | 36.3 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 58% | 0.578 | 75% | 0.751 | S | S | * | * | | | cis | -150.5 | 151.3 | -5.2 | -128.7 | -36.8 | 0 | 0 | 0 | 114.2 | | |
| 19 | R | 43.7 | Very low | 36.3 | Very low | 211 Ų | 211 | 142.1 Ų | 142.1 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | | | trans | 43.4 | 148.1 | 140.6 | -87.9 | 165.5 | 171.7 | 174.1 | -5.1 | 126.9 | | |
| 20 | K | 35.8 | Very low | 35.9 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | | | trans | 80.4 | 126.4 | 158.6 | -68.9 | 170 | 179.1 | -175.7 | 0 | 116.2 | | |
| 21 | L | 38.1 | Very low | 35.6 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | | | | 74.5 | 130.6 | 53.6 | -66.4 | 170.8 | 0 | 0 | 0 | 112.4 | | |
| 22 | S | 36.2 | Very low | 35.7 | Very low | 102 Ų | 102 | 146.6 Ų | 146.6 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | | | cis | -169.9 | 161.7 | 4.3 | 49.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 23 | A | 32.9 | Very low | 35.4 | Very low | 109 Ų | 109 | 147.6 Ų | 147.6 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | | | trans | 78.4 | 136.9 | 152.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 24 | G | 30 | Very low | 35.2 | Very low | 77 Ų | 77 | 147.7 Ų | 147.7 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | -173 | 156.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 25 | R | 33.9 | Very low | 34.9 | Very low | 231 Ų | 231 | 150 Ų | 150 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | | | trans | -113.2 | 156.8 | -171.7 | -70.3 | -177.3 | 175.9 | -177.4 | 1 | 113.6 | | |
| 26 | R | 36.8 | Very low | 34.7 | Very low | 205 Ų | 205 | 155.6 Ų | 155.6 | 77% | 0.774 | 79% | 0.791 | S | S | * | * | | | trans | 10.2 | 145 | 143.5 | -73.3 | -172.8 | -101.8 | 173.6 | -7 | 118.7 | | |
| 27 | D | 31.8 | Very low | 34.4 | Very low | 146 Ų | 146 | 155 Ų | 155 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | | | cis | -160.9 | 177.4 | 4 | -107.4 | -38.3 | 0 | 0 | 0 | 108 | | |
| 28 | G | 30.6 | Very low | 33.9 | Very low | 50 Ų | 50 | 149.8 Ų | 149.8 | 52% | 0.515 | 79% | 0.792 | S | S | . | * | | | cis | 166.3 | -145.9 | 5.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 29 | T | 34.3 | Very low | 33.6 | Very low | 139 Ų | 139 | 152.3 Ų | 152.3 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | 71.8 | 135.2 | 173 | 75 | 0 | 0 | 0 | 0 | 120.2 | | |
| 30 | S | 34 | Very low | 33.2 | Very low | 124 Ų | 124 | 150 Ų | 150 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | | | trans | 60.6 | 153.5 | 165.3 | 80.3 | 0 | 0 | 0 | 0 | 118.4 | | |
| 31 | G | 32.2 | Very low | 32.9 | Very low | 66 Ų | 66 | 148.8 Ų | 148.8 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | | | cis | -173 | 146.9 | -5.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 32 | R | 34.6 | Very low | 32.4 | Very low | 248 Ų | 248 | 152.1 Ų | 152.1 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | | | trans | 19.7 | 97.1 | 160.3 | -54.1 | -179.3 | -168.8 | -153.7 | 1.9 | 117.9 | C34 | R32-C34 PolarHBondContact O-N 3.27Š|
| 33 | R | 32.9 | Very low | 32.1 | Very low | 254 Ų | 254 | 152.5 Ų | 152.5 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | | | trans | -75 | 105.8 | 159.8 | -95.1 | -174.2 | -80 | -145.2 | -3.9 | 110.5 | | |
| 34 | C | 31.6 | Very low | 31.9 | Very low | 119 Ų | 119 | 152.3 Ų | 152.3 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | -73.7 | 151.6 | 170 | -82.6 | 0 | 0 | 0 | 0 | 112.3 | R32 | R32-C34 PolarHBondContact O-N 3.27Š|
| 35 | C | 31.6 | Very low | 31.9 | Very low | 128 Ų | 128 | 155.5 Ų | 155.5 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | | | trans | -66.5 | 139.8 | 174.2 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | Q37 | C35-Q37 PolarHBondContact O-N 3.1Š|
| 36 | R | 31.4 | Very low | 31.8 | Very low | 254 Ų | 254 | 156.4 Ų | 156.4 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | | | trans | -73.7 | 111.8 | 170 | -74.3 | -179.3 | 171.4 | 177.6 | -4.5 | 110 | | |
| 37 | Q | 31.4 | Very low | 31.3 | Very low | 153 Ų | 153 | 152.5 Ų | 152.5 | 72% | 0.715 | 82% | 0.82 | S | S | * | * | | | trans | -90.9 | 121.3 | 159.4 | 179.9 | 58.4 | 45.9 | 0 | 0 | 108.2 | C35 | C35-Q37 PolarHBondContact O-N 3.1Š|
| 38 | A | 30.8 | Very low | 31.3 | Very low | 78 Ų | 78 | 150.1 Ų | 150.1 | 65% | 0.645 | 82% | 0.821 | S | S | * | * | | | trans | -83.4 | 132.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 39 | H | 31.2 | Very low | 31.2 | Very low | 162 Ų | 162 | 154.7 Ų | 154.7 | 75% | 0.75 | 84% | 0.839 | S | S | * | * | | | trans | -107.2 | 134.6 | 162.3 | -79.1 | -105.2 | 0 | 0 | 0 | 108 | | |
| 40 | I | 35.3 | Very low | 31 | Very low | 163 Ų | 163 | 159 Ų | 159 | 84% | 0.836 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 120.2 | 172.6 | -62 | 176.8 | 0 | 0 | 0 | 106.7 | | |
| 41 | N | 30.1 | Very low | 31.3 | Very low | 153 Ų | 153 | 158.7 Ų | 158.7 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 142 | 178.1 | -71.7 | -20.7 | 0 | 0 | 0 | 110.6 | | |
| 42 | Y | 27 | Very low | 31.1 | Very low | 233 Ų | 233 | 159.8 Ų | 159.8 | 91% | 0.914 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 121.1 | 170.2 | -129.6 | -91 | 0 | 0 | 0 | 109 | | |
| 43 | S | 29.5 | Very low | 30.8 | Very low | 111 Ų | 111 | 152 Ų | 152 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 121.9 | 177 | 52.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 44 | A | 28.9 | Very low | 30.6 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 130.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 45 | T | 30.9 | Very low | 30.5 | Very low | 144 Ų | 144 | 149.8 Ų | 149.8 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 137.6 | 170 | 43 | 0 | 0 | 0 | 0 | 110.5 | | |
| 46 | R | 30.1 | Very low | 31.2 | Very low | 249 Ų | 249 | 148.7 Ų | 148.7 | 94% | 0.94 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 138.4 | 171.5 | -77.5 | -179.3 | 171.3 | -178.7 | -2.6 | 110.1 | | |
| 47 | S | 28.1 | Very low | 31.2 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | -148.7 | 147.8 | 149.3 | 54.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 48 | A | 30.7 | Very low | 30.9 | Very low | 96 Ų | 96 | 142.4 Ų | 142.4 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | | | trans | -147.7 | 133.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 49 | T | 29.1 | Very low | 30.8 | Very low | 146 Ų | 146 | 143.2 Ų | 143.2 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | | | trans | -153.2 | 144.9 | 160.2 | 28.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 50 | R | 30.1 | Very low | 30.6 | Very low | 230 Ų | 230 | 142 Ų | 142 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | | | trans | -110.8 | 171.9 | 163.5 | -86.3 | -174.2 | 83.2 | -167 | 4.9 | 106.5 | | |
| 51 | P | 40.3 | Very low | 30.3 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | | | cis | -144.5 | -170.9 | 30.6 | 42.4 | -20.7 | 0 | 0 | 0 | 117.7 | | |
| 52 | A | 28.3 | Very low | 30.1 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | | | trans | 3.3 | 157.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 53 | A | 27.8 | Very low | 30.1 | Very low | 85 Ų | 85 | 129.7 Ų | 129.7 | 70% | 0.702 | 81% | 0.809 | S | S | * | * | | | cis | -166.3 | -179 | 29.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 54 | L | 29.3 | Very low | 30 | Very low | 172 Ų | 172 | 129.3 Ų | 129.3 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | | | trans | 73.1 | 131 | 152.7 | -67.8 | 165.9 | 0 | 0 | 0 | 122 | | |
| 55 | L | 29 | Very low | 30 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | | | trans | -84 | 168.9 | 154.3 | -86.9 | 168.7 | 0 | 0 | 0 | 108.7 | | |
| 56 | P | 46.7 | Very low | 29.9 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 68% | 0.675 | 81% | 0.808 | S | S | * | * | | | | -162.7 | -179.7 | 52.6 | 45.9 | -22.6 | 0 | 0 | 0 | 121.9 | | |
| 57 | H | 31.3 | Very low | 29.9 | Very low | 163 Ų | 163 | 121.8 Ų | 121.8 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | | | trans | 54.6 | 111.3 | 146 | -67.8 | -48.2 | 0 | 0 | 0 | 125.1 | | |
| 58 | C | 25.2 | Very low | 29.8 | Very low | 113 Ų | 113 | 121 Ų | 121 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | | | | 64.5 | 139.8 | 113.7 | -59 | 0 | 0 | 0 | 0 | 124.8 | | |
| 59 | A | 28 | Very low | 29.6 | Very low | 94 Ų | 94 | 123.7 Ų | 123.7 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | | | trans | 76.1 | 154.8 | 142.4 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 60 | V | 27.9 | Very low | 29.6 | Very low | 137 Ų | 137 | 124.9 Ų | 124.9 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | | | cis | -162.4 | 166.4 | -15.2 | 124.5 | 0 | 0 | 0 | 0 | 110 | | |
| 61 | A | 27.5 | Very low | 29.4 | Very low | 89 Ų | 89 | 119.3 Ų | 119.3 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | trans | 70.6 | 143.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 62 | A | 27.3 | Very low | 28.8 | Very low | 104 Ų | 104 | 124 Ų | 124 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | cis | 97.5 | 97.6 | 8.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 63 | A | 27.3 | Very low | 28.8 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | -156.4 | 134.2 | 146.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 64 | A | 27.4 | Very low | 28.8 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | cis | 86.3 | 98.5 | 34.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 65 | A | 27.6 | Very low | 28.6 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | | | trans | -153.9 | 149.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 66 | S | 29 | Very low | 28.6 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | -128.8 | -171.8 | -161.4 | -53.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 67 | S | 29.7 | Very low | 28.5 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | 90 | 146.8 | 169.8 | -30 | 0 | 0 | 0 | 0 | 115.1 | | |
| 68 | S | 25.7 | Very low | 28.3 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | cis | -147.2 | 169.7 | -1.9 | -159.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 69 | L | 26.5 | Very low | 28.4 | Very low | 153 Ų | 153 | 123.3 Ų | 123.3 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | | | trans | -79.5 | 161.5 | 171.6 | -54.2 | 90.8 | 0 | 0 | 0 | 111.6 | | |
| 70 | Q | 29.5 | Very low | 28.4 | Very low | 172 Ų | 172 | 127.1 Ų | 127.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | | -177.3 | 136.5 | 108.2 | -96.8 | 172.5 | 26.5 | 0 | 0 | 115.2 | | |
| 71 | N | 26.6 | Very low | 28.5 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 60% | 0.604 | 79% | 0.789 | S | S | * | * | | | trans | 48 | 118.6 | 140.3 | -69.8 | -31.1 | 0 | 0 | 0 | 121.8 | | |
| 72 | R | 28.1 | Very low | 28.6 | Very low | 216 Ų | 216 | 134.6 Ų | 134.6 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | | | | 88 | 149 | 95.2 | -72.3 | 179.6 | -174.1 | -159.9 | -3.1 | 113.4 | | |
| 73 | T | 27.5 | Very low | 28.7 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | | | cis | -148.5 | 154.3 | -0.1 | -5.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 74 | S | 28.2 | Very low | 28.8 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | | | trans | 1.9 | 144.5 | 152.9 | 58.1 | 0 | 0 | 0 | 0 | 122.3 | | |
| 75 | D | 25.2 | Very low | 29 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | | | | -152.6 | 162.5 | 102.1 | -95.5 | -16.6 | 0 | 0 | 0 | 113.7 | | |
| 76 | H | 28.9 | Very low | 28.9 | Very low | 182 Ų | 182 | 143.5 Ų | 143.5 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | | | trans | -161.7 | 179.1 | -162.1 | -118.5 | 4.1 | 0 | 0 | 0 | 108.5 | | |
| 77 | P | 44.6 | Very low | 28.7 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | | | cis | -128.2 | -163.4 | -21.4 | 38.9 | -21.3 | 0 | 0 | 0 | 111.3 | | |
| 78 | G | 26.3 | Very low | 28.5 | Very low | 77 Ų | 77 | 142 Ų | 142 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | -176.1 | 58.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 79 | C | 27.8 | Very low | 28.5 | Very low | 126 Ų | 126 | 145 Ų | 145 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | -88.9 | 148.3 | 179.1 | -64.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 80 | L | 28.8 | Very low | 28.5 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | | | trans | -155.6 | 176.3 | 140 | -112.1 | 171.7 | 0 | 0 | 0 | 112 | | |
| 81 | R | 28.4 | Very low | 28.3 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 70% | 0.698 | 80% | 0.797 | S | S | * | * | | | trans | -149.1 | 138.5 | -142.3 | -140.7 | -164.2 | -177.3 | -174.8 | 3.7 | 113.4 | | |
| 82 | R | 31.1 | Very low | 28.3 | Very low | 199 Ų | 199 | 144.2 Ų | 144.2 | 75% | 0.751 | 81% | 0.811 | S | S | * | * | | | trans | 66.7 | 166.8 | 162.6 | -62.1 | 171.5 | 172.8 | -176.3 | -7 | 114.5 | | |
| 83 | S | 27.8 | Very low | 28.2 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | cis | -139.1 | 160.1 | 14.8 | -62.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 84 | F | 29.4 | Very low | 28.1 | Very low | 197 Ų | 197 | 137 Ų | 137 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | | | trans | -76 | 154.5 | 159.6 | -84.5 | -104 | 0 | 0 | 0 | 110.9 | | |
| 85 | M | 31.5 | Very low | 28.1 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | | | trans | -136.9 | 144.9 | 149.6 | -84.3 | -62.6 | 178.1 | 0 | 0 | 109.2 | | |
| 86 | A | 26.1 | Very low | 28.2 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | | | trans | -140.4 | 141.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 87 | A | 25.6 | Very low | 28.1 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | | | trans | -142.4 | 137.3 | 172 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 88 | A | 25.6 | Very low | 27.6 | Very low | 97 Ų | 97 | 140 Ų | 140 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | | | trans | -111.2 | 158.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 89 | L | 24.5 | Very low | 27.7 | Very low | 171 Ų | 171 | 146 Ų | 146 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | | | trans | -150.8 | 168.4 | 151.6 | -108.2 | 178 | 0 | 0 | 0 | 110 | | |
| 90 | T | 26 | Very low | 27.9 | Very low | 113 Ų | 113 | 150.6 Ų | 150.6 | 69% | 0.693 | 83% | 0.827 | S | S | * | * | | | trans | -130.6 | 145.3 | -149.8 | 47.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 91 | M | 26.4 | Very low | 28.1 | Very low | 180 Ų | 180 | 148 Ų | 148 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | | | trans | 53.1 | 111.4 | 146 | -60.3 | -63.2 | -66.3 | 0 | 0 | 119.9 | | |
| 92 | S | 26.8 | Very low | 28.3 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 90% | 0.895 | 83% | 0.831 | S | S | * | * | | | | -154.3 | 149.2 | 125.8 | -168.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 93 | G | 25.4 | Very low | 28.2 | Very low | 74 Ų | 74 | 147.1 Ų | 147.1 | 76% | 0.763 | 84% | 0.837 | S | S | * | * | | | trans | -117.9 | 149.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 94 | A | 26.1 | Very low | 28.3 | Very low | 108 Ų | 108 | 151.6 Ų | 151.6 | 89% | 0.893 | 84% | 0.843 | S | S | * | * | | | trans | -140.9 | 149.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 95 | Q | 27.5 | Very low | 28.2 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 82% | 0.822 | 84% | 0.839 | S | S | * | * | | | trans | -99.5 | 137.8 | -172.6 | 169.2 | -178.1 | -33.4 | 0 | 0 | 110.1 | | |
| 96 | E | 27.6 | Very low | 28 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | | | trans | -173.1 | 166.9 | 153 | -88.5 | -36.7 | 105.4 | 0 | 0 | 109.4 | | |
| 97 | D | 26.4 | Very low | 28.2 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 75% | 0.754 | 83% | 0.834 | S | S | * | * | | | trans | -74.8 | 153.4 | -161.1 | -86.8 | -43.4 | 0 | 0 | 0 | 118.3 | F99 | D97-F99 PolarHBondContact O-N 2.77Š|
| 98 | P | 33.5 | Very low | 28.5 | Very low | 121 Ų | 121 | 146 Ų | 146 | 79% | 0.786 | 83% | 0.83 | S | S | * | * | | | trans | -85.4 | 100.9 | -174.5 | 33.6 | -35.7 | 0 | 0 | 0 | 114.8 | | |
| 99 | F | 29.2 | Very low | 28.9 | Very low | 202 Ų | 202 | 146.7 Ų | 146.7 | 89% | 0.886 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 152.8 | 161.2 | -98.5 | -100.1 | 0 | 0 | 0 | 112.7 | D97 | D97-F99 PolarHBondContact O-N 2.77Š|
| 100 | Y | 32.3 | Very low | 29.2 | Very low | 224 Ų | 224 | 143 Ų | 143 | 88% | 0.878 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 132.1 | -175.7 | -88.3 | -103 | 0 | 0 | 0 | 113.8 | | |
| 101 | P | 32.8 | Very low | 29.2 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 77% | 0.766 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 123.4 | 170.7 | 30.7 | -32.9 | 0 | 0 | 0 | 112.2 | Q103 | P101-Q103 PolarHBondContact O-N 3.35Š|
| 102 | L | 32 | Very low | 29.3 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 94% | 0.937 | 83% | 0.833 | S | S | * | * | | | trans | -71.4 | 103 | 167.2 | -88.9 | 163.6 | 0 | 0 | 0 | 110.3 | | |
| 103 | Q | 28.9 | Very low | 29.9 | Very low | 187 Ų | 187 | 144.9 Ų | 144.9 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | | | trans | -81.5 | 124.1 | 178.7 | -163.2 | 161.3 | 16.5 | 0 | 0 | 111.8 | P101 A105 | P101-Q103 PolarHBondContact O-N 3.35Å; Q103-A105 PolarHBondContact O-N 2.97Å |
| 104 | K | 29.8 | Very low | 30.6 | Very low | 204 Ų | 204 | 149.5 Ų | 149.5 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | | | trans | -57.7 | 123.5 | -180 | -67 | 175.3 | 176.9 | 177.1 | 0 | 111.4 | A106 | K104-A106 PolarHBondContact O-N 2.86Š|
| 105 | A | 28 | Very low | 30.9 | Very low | 94 Ų | 94 | 151.4 Ų | 151.4 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | | | trans | -83.4 | 102 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q103 | Q103-A105 PolarHBondContact O-N 2.97Š|
| 106 | A | 28.4 | Very low | 31.7 | Very low | 96 Ų | 96 | 148.2 Ų | 148.2 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 125 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | K104 | K104-A106 PolarHBondContact O-N 2.86Š|
| 107 | L | 29.9 | Very low | 32.3 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 126.8 | 178.1 | -68.4 | 172.5 | 0 | 0 | 0 | 110.6 | | |
| 108 | P | 30.4 | Very low | 33 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 133.8 | 168.4 | 30.4 | -32.6 | 0 | 0 | 0 | 110.4 | A110 | P108-A110 PolarHBondContact O-N 3.19Š|
| 109 | A | 35.4 | Very low | 33.1 | Very low | 110 Ų | 110 | 147.1 Ų | 147.1 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -73.1 | 113.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 110 | A | 29.8 | Very low | 33.4 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | | | trans | -170.5 | 61.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 112 | P108 | P108-A110 PolarHBondContact O-N 3.19Š|
| 111 | F | 27.2 | Very low | 33.5 | Very low | 212 Ų | 212 | 137.3 Ų | 137.3 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | | | trans | -102.8 | 108.4 | 165.1 | -96.9 | -87.9 | 0 | 0 | 0 | 109.3 | | |
| 112 | S | 27.6 | Very low | 33.2 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | trans | -81.3 | 137.5 | 164.4 | -163.5 | 0 | 0 | 0 | 0 | 108.9 | E114 | S112-E114 PolarHBondContact O-N 2.94Š|
| 113 | L | 39.9 | Very low | 33.2 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | | | trans | -99.9 | 51.6 | -164.1 | -143.8 | 165.8 | 0 | 0 | 0 | 112.1 | | |
| 114 | E | 40.1 | Very low | 33.3 | Very low | 171 Ų | 171 | 137 Ų | 137 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | trans | -132 | 61.5 | -176.4 | -65.9 | -169 | 144.9 | 0 | 0 | 112.6 | S112 | S112-E114 PolarHBondContact O-N 2.94Š|
| 115 | D | 32.3 | Very low | 33.5 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | -162 | 27.7 | 158.4 | -126.3 | -11.7 | 0 | 0 | 0 | 113.4 | A117 | D115-A117 PolarHBondContact O-N 2.81Š|
| 116 | S | 44.6 | Very low | 33.6 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 46.4 | -172.1 | -59.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 117 | A | 38.9 | Very low | 33.9 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.1 | 8.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D115 | D115-A117 PolarHBondContact O-N 2.81Š|
| 118 | L | 42 | Very low | 34.3 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -105.3 | -1.2 | -172.6 | -132.2 | 79.2 | 0 | 0 | 0 | 116.6 | | |
| 119 | F | 36.2 | Very low | 34.3 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -132.5 | 0.6 | -172 | -71.4 | -71.5 | 0 | 0 | 0 | 116.9 | L121 | F119-L121 PolarHBondContact O-N 2.82Š|
| 120 | G | 35.1 | Very low | 34.7 | Very low | 77 Ų | 77 | 144.1 Ų | 144.1 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | 59.5 | 48.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 121 | L | 34.2 | Very low | 34.8 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | | | trans | -107.4 | 97.9 | 176.9 | -64.9 | 174.8 | 0 | 0 | 0 | 110.3 | F119 C123 | F119-L121 PolarHBondContact O-N 2.82Å; L121-C123 PolarHBondContact O-N 3.08Å |
| 122 | D | 27.6 | Very low | 35.2 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | -78.1 | 81.4 | 174.2 | -82.5 | -47.7 | 0 | 0 | 0 | 111.3 | K124 | D122-K124 PolarHBondContact O-N 3.28Å; D122-K124 VanDerWaalsContact O-N 3.13Å |
| 123 | C | 31.3 | Very low | 36 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 73% | 0.73 | 81% | 0.806 | S | S | * | * | | | trans | -74.7 | 96.7 | 174.6 | -65.7 | 0 | 0 | 0 | 0 | 111.4 | L121 | L121-C123 PolarHBondContact O-N 3.08Š|
| 124 | K | 30.4 | Very low | 35.7 | Very low | 204 Ų | 204 | 141 Ų | 141 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77 | 125.6 | 166 | -75.3 | -175.9 | 177 | 178.9 | 0 | 110.8 | D122 | D122-K124 PolarHBondContact O-N 3.28Å; D122-K124 VanDerWaalsContact O-N 3.13Å |
| 125 | I | 34.6 | Very low | 35.5 | Very low | 165 Ų | 165 | 141 Ų | 141 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 122.5 | 167.4 | -60.3 | 166.7 | 0 | 0 | 0 | 107.6 | | |
| 126 | S | 30.2 | Very low | 35.5 | Very low | 107 Ų | 107 | 142 Ų | 142 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 141.3 | 166.1 | 53.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 127 | E | 33.8 | Very low | 35 | Very low | 195 Ų | 195 | 143.4 Ų | 143.4 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 157.2 | 177.9 | -62.2 | -169.7 | 130.5 | 0 | 0 | 112.3 | | |
| 128 | A | 39.5 | Very low | 34.8 | Very low | 93 Ų | 93 | 148.2 Ų | 148.2 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 120.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 129 | D | 30.5 | Very low | 34.5 | Very low | 170 Ų | 170 | 147.1 Ų | 147.1 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69 | 141.6 | 166.7 | -89.9 | -46.7 | 0 | 0 | 0 | 111.4 | | |
| 130 | K | 43.8 | Very low | 34.2 | Very low | 207 Ų | 207 | 146 Ų | 146 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | | | trans | -89.3 | 113 | -166.8 | -63.1 | 171.4 | -175.6 | 170.4 | 0 | 112.4 | | |
| 131 | A | 30.6 | Very low | 34.1 | Very low | 99 Ų | 99 | 147.4 Ų | 147.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -152.7 | 121 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 132 | G | 36 | Very low | 33.9 | Very low | 69 Ų | 69 | 147.8 Ų | 147.8 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 61.7 | 90.1 | 147.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | N134 | G132-N134 PolarHBondContact O-N 3.01Š|
| 133 | Q | 44.1 | Very low | 34 | Very low | 191 Ų | 191 | 148.3 Ų | 148.3 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | | | trans | 37.2 | 80.7 | 144.9 | -64.2 | 176.2 | -76.4 | 0 | 0 | 117.9 | | |
| 134 | N | 33.6 | Very low | 33.9 | Very low | 132 Ų | 132 | 150.7 Ų | 150.7 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | trans | -163.2 | 124.8 | 151.5 | -94.5 | -59.5 | 0 | 0 | 0 | 108.7 | G132 Y136 | G132-N134 PolarHBondContact O-N 3.01Å; N134-Y136 HydrophobicContact CB-CD2 4.1Å; N134-Y136 PolarHBondContact O-N 2.77Å |
| 135 | D | 36.1 | Very low | 33.9 | Very low | 171 Ų | 171 | 150.9 Ų | 150.9 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | | | trans | -81.1 | 62.3 | -175.8 | -66.1 | -53.1 | 0 | 0 | 0 | 112.6 | | |
| 136 | Y | 32 | Very low | 34 | Very low | 167 Ų | 167 | 153.8 Ų | 153.8 | 66% | 0.655 | 80% | 0.804 | S | S | * | * | | | trans | -134 | 118.2 | 175.7 | -57.5 | -70 | 0 | 0 | 0 | 111.8 | N134 Q138 | N134-Y136 HydrophobicContact CB-CD2 4.1Å; N134-Y136 PolarHBondContact O-N 2.77Å; Y136-Q138 PolarHBondContact O-N 2.81Å; Y136-Q138 VanDerWaalsContact O-N 3.16Å |
| 137 | T | 34.7 | Very low | 33.9 | Very low | 138 Ų | 138 | 156.9 Ų | 156.9 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | | | trans | -78.4 | 93.6 | 169.9 | 38 | 0 | 0 | 0 | 0 | 110.8 | V139 | T137-V139 PolarHBondContact O-N 3.34Å; T137-V139 VanDerWaalsContact O-N 3.11Å |
| 138 | Q | 34.9 | Very low | 33.8 | Very low | 190 Ų | 190 | 153.1 Ų | 153.1 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | | | trans | -67 | 107.3 | 170.8 | -81.3 | -168.2 | -12.8 | 0 | 0 | 111.1 | Y136 | Y136-Q138 PolarHBondContact O-N 2.81Å; Y136-Q138 VanDerWaalsContact O-N 3.16Å |
| 139 | V | 34.8 | Very low | 33.5 | Very low | 119 Ų | 119 | 154.3 Ų | 154.3 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | | | trans | -92.9 | 102.6 | 170.3 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | T137 C141 | T137-V139 PolarHBondContact O-N 3.34Å; T137-V139 VanDerWaalsContact O-N 3.11Å; V139-C141 PolarHBondContact O-N 3.42Å |
| 140 | K | 30.5 | Very low | 33.5 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 67% | 0.665 | 80% | 0.799 | S | S | * | * | | | trans | -84 | 89.3 | 178.2 | -168.7 | -157 | -178.8 | -155.1 | 0 | 111 | E142 | K140-E142 HydrophobicContact CD-CG 4.4Å; K140-E142 VanDerWaalsContact CE-CD 3.43Å; K140-E142 VanDerWaalsContact CE-OE1 3.28Å; K140-E142 WeakPolarHBondContact CE-OE1 3.46Å; K140-E142 IonicContact NZ-OE1 3.21Å; K140-E142 PolarHBondContact NZ-OE1 3.32Å; K140-E142 IonicContact NZ-OE2 3.48Å; K140-E142 PolarHBondContact NZ-OE2 3.03Å; K140-E142 PolarHBondContact O-N 3.5Å |
| 141 | C | 32.4 | Very low | 32.9 | Very low | 107 Ų | 107 | 146.6 Ų | 146.6 | 72% | 0.723 | 80% | 0.795 | S | S | * | * | | | trans | -80.9 | 98.3 | 171.1 | -66 | 0 | 0 | 0 | 0 | 111.2 | V139 | V139-C141 PolarHBondContact O-N 3.42Š|
| 142 | E | 31.1 | Very low | 33 | Very low | 152 Ų | 152 | 151.2 Ų | 151.2 | 71% | 0.71 | 80% | 0.797 | S | S | * | * | | | trans | -80.2 | 140.8 | 162.2 | -74.6 | 177.8 | 141.1 | 0 | 0 | 110.1 | K140 | K140-E142 HydrophobicContact CD-CG 4.4Å; K140-E142 VanDerWaalsContact CE-CD 3.43Å; K140-E142 VanDerWaalsContact CE-OE1 3.28Å; K140-E142 WeakPolarHBondContact CE-OE1 3.46Å; K140-E142 IonicContact NZ-OE1 3.21Å; K140-E142 PolarHBondContact NZ-OE1 3.32Å; K140-E142 IonicContact NZ-OE2 3.48Å; K140-E142 PolarHBondContact NZ-OE2 3.03Å; K140-E142 PolarHBondContact O-N 3.5Å |
| 143 | M | 30.1 | Very low | 32.9 | Very low | 178 Ų | 178 | 153 Ų | 153 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | | | trans | -126.9 | 103.6 | -173.5 | -177.2 | 156 | 57.2 | 0 | 0 | 110.6 | | |
| 144 | D | 28.8 | Very low | 32.3 | Very low | 158 Ų | 158 | 149.9 Ų | 149.9 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | -64.1 | 131.7 | -179.7 | -89.8 | -45.2 | 0 | 0 | 0 | 112.4 | Y146 | D144-Y146 PolarHBondContact O-N 3.28Š|
| 145 | R | 30.3 | Very low | 32.2 | Very low | 208 Ų | 208 | 152.9 Ų | 152.9 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -76.6 | 113.1 | -176.9 | -82.2 | 179.8 | 163.3 | -177.5 | -3.4 | 112.1 | | |
| 146 | Y | 35.7 | Very low | 31.8 | Very low | 225 Ų | 225 | 151.3 Ų | 151.3 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | | | trans | -134 | 50.6 | 159.7 | -87.1 | -72.9 | 0 | 0 | 0 | 114.2 | D144 | D144-Y146 PolarHBondContact O-N 3.28Š|
| 147 | L | 29.6 | Very low | 31.7 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | | | trans | -139.2 | 96.4 | 161.1 | -74.9 | -179.9 | 0 | 0 | 0 | 111.1 | | |
| 148 | S | 31.6 | Very low | 31.4 | Very low | 115 Ų | 115 | 148 Ų | 148 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 139.9 | 164.6 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 149 | P | 33.4 | Very low | 31.1 | Very low | 118 Ų | 118 | 148.1 Ų | 148.1 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 144.4 | 172.3 | 29.1 | -34.2 | 0 | 0 | 0 | 110.6 | A151 | P149-A151 PolarHBondContact O-N 2.89Š|
| 150 | P | 29.9 | Very low | 31 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 121.3 | 175.1 | 29.1 | -33.3 | 0 | 0 | 0 | 110.2 | | |
| 151 | A | 30.7 | Very low | 30.9 | Very low | 99 Ų | 99 | 152.8 Ų | 152.8 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 133.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P149 | P149-A151 PolarHBondContact O-N 2.89Š|
| 152 | F | 32.5 | Very low | 30.9 | Very low | 196 Ų | 196 | 152.6 Ų | 152.6 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 137.5 | 169.8 | -72.2 | -91.9 | 0 | 0 | 0 | 110 | | |
| 153 | P | 34.3 | Very low | 30.8 | Very low | 107 Ų | 107 | 154.6 Ų | 154.6 | 70% | 0.695 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 147.7 | 173.7 | 31.5 | -34.3 | 0 | 0 | 0 | 110.9 | | |
| 154 | P | 32 | Very low | 30.9 | Very low | 125 Ų | 125 | 156 Ų | 156 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 145.2 | 177.2 | 28.3 | -35 | 0 | 0 | 0 | 111.4 | | |
| 155 | Q | 30.7 | Very low | 31 | Very low | 195 Ų | 195 | 154.6 Ų | 154.6 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -92 | 134.4 | 166.5 | -63.9 | -172.2 | 4.3 | 0 | 0 | 109.1 | | |
| 156 | T | 27.6 | Very low | 31.2 | Very low | 137 Ų | 137 | 152.9 Ų | 152.9 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 129.9 | 171.5 | 51.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 157 | D | 30.1 | Very low | 31.1 | Very low | 170 Ų | 170 | 148.9 Ų | 148.9 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 151.6 | -176.3 | -99.8 | -62.4 | 0 | 0 | 0 | 115.1 | | |
| 158 | G | 28.5 | Very low | 31.5 | Very low | 67 Ų | 67 | 146.4 Ų | 146.4 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | | | trans | -171.2 | 81.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 159 | Q | 28.1 | Very low | 31.4 | Very low | 191 Ų | 191 | 146 Ų | 146 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | | | trans | 68.8 | 72.2 | 165.7 | -58.5 | -170.8 | -64.9 | 0 | 0 | 118.7 | | |
| 160 | Q | 32.5 | Very low | 31.4 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | | | | 30.4 | 140.3 | 125 | -65.8 | -173.1 | -18.7 | 0 | 0 | 122.5 | | |
| 161 | K | 30.2 | Very low | 31.6 | Very low | 192 Ų | 192 | 148.1 Ų | 148.1 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | | | trans | 101.9 | 127.5 | 157.8 | -61.2 | 179.6 | -179.4 | 177.8 | 0 | 116.1 | | |
| 162 | S | 32 | Very low | 32 | Very low | 103 Ų | 103 | 151.8 Ų | 151.8 | 72% | 0.72 | 83% | 0.825 | S | S | * | * | | | cis | -166.4 | 117.9 | -16.9 | 46.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 163 | H | 29.1 | Very low | 31.9 | Very low | 195 Ų | 195 | 150.8 Ų | 150.8 | 90% | 0.903 | 82% | 0.821 | S | S | * | * | | | trans | -154.4 | 160.1 | 144 | -139.4 | -91.7 | 0 | 0 | 0 | 111.3 | | |
| 164 | R | 31.6 | Very low | 31.8 | Very low | 207 Ų | 207 | 155.6 Ų | 155.6 | 78% | 0.781 | 83% | 0.831 | S | S | * | * | | | trans | -110 | 160.1 | -171.4 | -123.7 | -175.1 | 176.3 | 160.6 | -1.6 | 111.9 | | |
| 165 | D | 31.5 | Very low | 31.8 | Very low | 128 Ų | 128 | 155.8 Ų | 155.8 | 68% | 0.684 | 84% | 0.835 | S | S | * | * | | | trans | 62.3 | 79.9 | 150.4 | -47.2 | -28.1 | 0 | 0 | 0 | 120.3 | | |
| 166 | I | 33.6 | Very low | 31.8 | Very low | 173 Ų | 173 | 149.4 Ų | 149.4 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | | | trans | -145.3 | 64 | 134.4 | -43.3 | 179 | 0 | 0 | 0 | 110.9 | | |
| 167 | T | 34.5 | Very low | 32.3 | Very low | 140 Ų | 140 | 150.9 Ų | 150.9 | 86% | 0.859 | 83% | 0.825 | S | S | * | * | | | trans | -142.3 | 68.3 | 167.3 | 49.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 168 | S | 36.6 | Very low | 32.7 | Very low | 122 Ų | 122 | 151.6 Ų | 151.6 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | | | trans | -154.8 | 56.6 | 176.3 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 169 | A | 31 | Very low | 33 | Very low | 107 Ų | 107 | 153.5 Ų | 153.5 | 88% | 0.884 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -153.1 | 11 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 170 | A | 32.3 | Very low | 33.7 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 81% | 0.81 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -131.8 | -1.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 171 | E | 34.4 | Very low | 33.5 | Very low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -125.4 | 52.5 | -177.1 | -64.5 | -172.4 | 146.9 | 0 | 0 | 111 | | |
| 172 | Q | 38.9 | Very low | 33.6 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -131.1 | 9.9 | 171.5 | -78.8 | -165.5 | -23.2 | 0 | 0 | 114.3 | | |
| 173 | F | 30.9 | Very low | 33.6 | Very low | 176 Ų | 176 | 145.1 Ų | 145.1 | 77% | 0.772 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -130.4 | 139.5 | 164.9 | -69.4 | -86.1 | 0 | 0 | 0 | 108.5 | | |
| 174 | F | 31.6 | Very low | 33.7 | Very low | 208 Ų | 208 | 141.7 Ų | 141.7 | 91% | 0.912 | 82% | 0.817 | S | S | * | * | | | trans | 73.7 | 45.7 | -177.3 | -45.1 | -67.7 | 0 | 0 | 0 | 117.6 | | |
| 175 | S | 32.3 | Very low | 33.6 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | | | trans | -82 | 105.2 | 145.9 | -61.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 176 | G | 29.6 | Very low | 33.4 | Very low | 62 Ų | 62 | 139.3 Ų | 139.3 | 64% | 0.639 | 82% | 0.82 | S | S | * | * | | | trans | 176.8 | 122.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | H178 | G176-H178 PolarHBondContact O-N 3.14Å; G176-H178 VanDerWaalsContact O-N 3.08Å |
| 177 | D | 39.2 | Very low | 33.2 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | | | trans | -75.9 | 92.3 | -174.9 | -70.3 | -66.9 | 0 | 0 | 0 | 113.2 | | |
| 178 | H | 37.6 | Very low | 32.9 | Very low | 186 Ų | 186 | 137.2 Ų | 137.2 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | | | trans | -122.6 | 86.9 | 170.1 | -71.9 | -12.3 | 0 | 0 | 0 | 111.4 | G176 G180 | G176-H178 PolarHBondContact O-N 3.14Å; G176-H178 VanDerWaalsContact O-N 3.08Å; H178-G180 PolarHBondContact O-N 3.48Å |
| 179 | A | 35.1 | Very low | 32.6 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | | | trans | -71.6 | 119.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 180 | G | 42.3 | Very low | 32.5 | Very low | 84 Ų | 84 | 141.7 Ų | 141.7 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 74.3 | 63.6 | 156 | 0 | 0 | 0 | 0 | 0 | 117.8 | H178 | H178-G180 PolarHBondContact O-N 3.48Š|
| 181 | A | 28.8 | Very low | 32.5 | Very low | 86 Ų | 86 | 144.3 Ų | 144.3 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -127.5 | 134.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 182 | P | 31.9 | Very low | 32.4 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 123.6 | 173.9 | 31.4 | -31.9 | 0 | 0 | 0 | 110.9 | | |
| 183 | Y | 33.5 | Very low | 32.2 | Very low | 197 Ų | 197 | 141 Ų | 141 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -80 | 118.7 | 171.2 | 41.3 | -90.9 | 0 | 0 | 0 | 110.5 | | |
| 184 | T | 30.9 | Very low | 32.2 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 120.8 | 174.6 | 41.2 | 0 | 0 | 0 | 0 | 110.6 | N186 | T184-N186 PolarHBondContact O-N 2.83Š|
| 185 | L | 28.2 | Very low | 32.2 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | | | trans | -97.1 | 81.3 | -177.9 | -135.8 | 173.5 | 0 | 0 | 0 | 109.9 | M187 | L185-M187 HydrophobicContact CD2-CG 4.27Å; L185-M187 PolarHBondContact O-N 3.2Å |
| 186 | N | 28.5 | Very low | 32.2 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | -67.7 | 120.1 | 177.8 | -81.1 | -10.5 | 0 | 0 | 0 | 111 | T184 | T184-N186 PolarHBondContact O-N 2.83Š|
| 187 | M | 28.1 | Very low | 32.2 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 70% | 0.704 | 79% | 0.79 | S | S | * | * | | | trans | -123.3 | 104.1 | 174.5 | -79.5 | -66.6 | -62.7 | 0 | 0 | 109.5 | L185 L189 | L185-M187 HydrophobicContact CD2-CG 4.27Å; L185-M187 PolarHBondContact O-N 3.2Å; M187-L189 PolarHBondContact O-N 3.11Å |
| 188 | N | 30.1 | Very low | 31.8 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 67% | 0.668 | 79% | 0.792 | S | S | * | * | | | trans | -77.8 | 110.8 | 176.4 | -66.3 | -2.1 | 0 | 0 | 0 | 109.8 | Y190 | N188-Y190 HydrophobicContact CB-CE2 4.16Š|
| 189 | L | 28.8 | Very low | 31.3 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | -87.9 | 126.1 | 166.4 | -81.1 | 82.5 | 0 | 0 | 0 | 109.6 | M187 | M187-L189 PolarHBondContact O-N 3.11Š|
| 190 | Y | 30 | Very low | 30.8 | Very low | 182 Ų | 182 | 144.5 Ų | 144.5 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | | | trans | -101.3 | 125.6 | 166.3 | -71.2 | -92 | 0 | 0 | 0 | 108.9 | N188 | N188-Y190 HydrophobicContact CB-CE2 4.16Š|
| 191 | L | 32.6 | Very low | 30.1 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | | | trans | -107.4 | 136.4 | 166.7 | -68 | 98 | 0 | 0 | 0 | 109 | | |
| 192 | P | 30.7 | Very low | 29.8 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | trans | -81.1 | 147.5 | 170 | 33.5 | -33.1 | 0 | 0 | 0 | 111 | | |
| 193 | D | 34.7 | Very low | 29.6 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | | | trans | -60.4 | 134.5 | 177.2 | -74.7 | -60.7 | 0 | 0 | 0 | 113 | | |
| 194 | V | 32.4 | Very low | 29.3 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | | | trans | -129.1 | 103.2 | 163.5 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | Y196 | V194-Y196 PolarHBondContact O-N 3.32Š|
| 195 | A | 31.5 | Very low | 29.1 | Very low | 94 Ų | 94 | 148.1 Ų | 148.1 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | | | trans | -65.4 | 121.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L197 | A195-L197 PolarHBondContact O-N 3.44Š|
| 196 | Y | 31.9 | Very low | 28.9 | Very low | 224 Ų | 224 | 152 Ų | 152 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | | | trans | -72.5 | 111 | 175.5 | -90.3 | -96.9 | 0 | 0 | 0 | 111.3 | V194 R198 | V194-Y196 PolarHBondContact O-N 3.32Å; Y196-R198 PolarHBondContact O-N 3.45Å |
| 197 | L | 28.9 | Very low | 29.4 | Very low | 168 Ų | 168 | 150.4 Ų | 150.4 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | | | trans | -67.1 | 114.3 | 167.4 | -80.3 | 167.8 | 0 | 0 | 0 | 110.2 | A195 | A195-L197 PolarHBondContact O-N 3.44Š|
| 198 | R | 30.9 | Very low | 30.2 | Very low | 247 Ų | 247 | 148.5 Ų | 148.5 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | | | trans | -98.6 | 108.4 | -176.3 | -156.3 | -177.1 | -160.7 | -175.5 | 6.9 | 110.1 | Y196 | Y196-R198 PolarHBondContact O-N 3.45Š|
| 199 | M | 26.6 | Very low | 30.1 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 89% | 0.892 | 80% | 0.797 | S | S | * | * | | | trans | -107 | 96.5 | -173.6 | -84 | -69.9 | -69.8 | 0 | 0 | 113.3 | | |
| 200 | G | 26.5 | Very low | 30 | Very low | 73 Ų | 73 | 148.8 Ų | 148.8 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | | | trans | 64.6 | 167.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 201 | S | 26.9 | Very low | 30.1 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | cis | -156.5 | 161.8 | -27.7 | 46 | 0 | 0 | 0 | 0 | 105.5 | | |
| 202 | C | 23.2 | Very low | 29.9 | Very low | 99 Ų | 99 | 148.6 Ų | 148.6 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | | | cis | -152.6 | -179.1 | 32.6 | -141.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 203 | E | 25.9 | Very low | 30.1 | Very low | 163 Ų | 163 | 154.8 Ų | 154.8 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | | | trans | 20 | 137.9 | 153.5 | -71 | 165.4 | 95 | 0 | 0 | 120.9 | | |
| 204 | Q | 28.1 | Very low | 29.9 | Very low | 171 Ų | 171 | 151.7 Ų | 151.7 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | | | | -154.8 | 150.2 | 52.3 | -80.3 | -176.8 | -18 | 0 | 0 | 115.2 | | |
| 205 | V | 26.4 | Very low | 29.8 | Very low | 136 Ų | 136 | 149.9 Ų | 149.9 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | | | trans | 58.9 | 123.7 | 137.2 | -179.7 | 0 | 0 | 0 | 0 | 122 | | |
| 206 | R | 23.5 | Very low | 29.8 | Very low | 228 Ų | 228 | 153 Ų | 153 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -63.5 | -179.4 | 165.1 | -86.9 | -172.7 | -168 | 162.5 | 3.3 | 114.8 | | |
| 207 | P | 39.7 | Very low | 29.7 | Very low | 106 Ų | 106 | 147 Ų | 147 | 69% | 0.688 | 81% | 0.813 | S | S | * | * | | | cis | -137.5 | -132.2 | -36 | 40.4 | -19.2 | 0 | 0 | 0 | 108.8 | | |
| 208 | P | 44.2 | Very low | 29.8 | Very low | 102 Ų | 102 | 147 Ų | 147 | 66% | 0.662 | 81% | 0.808 | S | S | * | * | | | cis | -120.4 | -167.5 | -46.1 | 33 | -13.7 | 0 | 0 | 0 | 113.3 | | |
| 209 | Q | 28.2 | Very low | 29.8 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | | | trans | 80.9 | 155.5 | 165.1 | -57.6 | -175.4 | 2.3 | 0 | 0 | 118.5 | | |
| 210 | A | 27.5 | Very low | 30 | Very low | 85 Ų | 85 | 143.4 Ų | 143.4 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | | | cis | 178.7 | 170.1 | -47.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 211 | Q | 31.7 | Very low | 30.1 | Very low | 175 Ų | 175 | 145 Ų | 145 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | 76.5 | 95.9 | 162 | -53.7 | -172.1 | 0.4 | 0 | 0 | 120.4 | | |
| 212 | N | 29.5 | Very low | 30.2 | Very low | 156 Ų | 156 | 148 Ų | 148 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | | | | 33.3 | 113.1 | 114.9 | -57.6 | -10.8 | 0 | 0 | 0 | 121.3 | | |
| 213 | R | 33.5 | Very low | 30.5 | Very low | 247 Ų | 247 | 148.1 Ų | 148.1 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | | | | -164.4 | 119.5 | 125.3 | -110.4 | 169.3 | 167.7 | 152.8 | -3 | 107.6 | | |
| 214 | A | 31.4 | Very low | 30.5 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | | | cis | 79.6 | 111.3 | 47 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 215 | G | 29.8 | Very low | 30.5 | Very low | 81 Ų | 81 | 142.2 Ų | 142.2 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | trans | -162 | 109.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 216 | L | 31.6 | Very low | 30.6 | Very low | 159 Ų | 159 | 141 Ų | 141 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | trans | -99.5 | 139 | -167.5 | -92.3 | 159.7 | 0 | 0 | 0 | 112.6 | Q218 | L216-Q218 HydrophobicContact CD2-CG 4.49Š|
| 217 | A | 29.5 | Very low | 30.7 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | | | trans | -150.2 | 107.6 | 144.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 218 | Q | 31.4 | Very low | 30.2 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | | | trans | -87.3 | 160.5 | 158.4 | -67.3 | 179.8 | -19.1 | 0 | 0 | 107.4 | L216 | L216-Q218 HydrophobicContact CD2-CG 4.49Š|
| 219 | I | 30.9 | Very low | 29.4 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | | | | -162.5 | 135.1 | 89.7 | -88.9 | 157.8 | 0 | 0 | 0 | 108.7 | | |
| 220 | K | 31.4 | Very low | 30.6 | Very low | 186 Ų | 186 | 136.4 Ų | 136.4 | 81% | 0.809 | 81% | 0.813 | S | S | * | * | | | trans | -81.2 | 154.6 | 159.5 | -77.8 | -176.8 | 171.8 | -176.3 | 0 | 107.5 | | |
| 221 | T | 28.7 | Very low | 30.6 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 65% | 0.65 | 82% | 0.817 | S | S | * | * | | | | -168.5 | 162 | 66.7 | 37.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 222 | E | 27.3 | Very low | 30.5 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | | | trans | 70.2 | 166.5 | 144.2 | -76.4 | 149.6 | -120.4 | 0 | 0 | 120.1 | | |
| 223 | A | 30.8 | Very low | 30.6 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | | | trans | -152.2 | 143.9 | -166.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 224 | A | 26.1 | Very low | 31 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | | | trans | -162.9 | 142.4 | 154 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 225 | S | 28.3 | Very low | 30.9 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | | | trans | 21 | 129.5 | 148 | 59.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 226 | S | 26.7 | Very low | 31 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | | | | -150.9 | 147.1 | 118.1 | 61.8 | 0 | 0 | 0 | 0 | 112 | | |
| 227 | C | 27.4 | Very low | 32 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | -137.7 | 138.7 | 166.1 | -68.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 228 | F | 28.7 | Very low | 32.1 | Very low | 210 Ų | 210 | 141.3 Ų | 141.3 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | | | trans | -137.6 | 141.8 | 164.9 | -95.5 | -89.5 | 0 | 0 | 0 | 108.5 | | |
| 229 | G | 27.1 | Very low | 32 | Very low | 72 Ų | 72 | 136.7 Ų | 136.7 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | | | trans | -94.6 | -134.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 230 | P | 52.3 | Low | 32.1 | Very low | 119 Ų | 119 | 135 Ų | 135 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | cis | -138.1 | -174.1 | 19.9 | 42.3 | -23.9 | 0 | 0 | 0 | 116.5 | | |
| 231 | H | 28.4 | Very low | 31.9 | Very low | 171 Ų | 171 | 133.6 Ų | 133.6 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | trans | 66.1 | 106.1 | 151.6 | -102.1 | -92.3 | 0 | 0 | 0 | 120.9 | | |
| 232 | L | 29 | Very low | 32.1 | Very low | 168 Ų | 168 | 134 Ų | 134 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | | | | -172.3 | 168.4 | 97.7 | -97.6 | 165.4 | 0 | 0 | 0 | 111.7 | | |
| 233 | Q | 32 | Very low | 32.2 | Very low | 185 Ų | 185 | 130.3 Ų | 130.3 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -103.2 | 162.9 | -170.3 | -96.3 | -176.5 | -46.8 | 0 | 0 | 114.5 | | |
| 234 | P | 43.2 | Very low | 32.2 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 68% | 0.682 | 80% | 0.802 | S | S | * | * | | | trans | -98.9 | 174.7 | -173 | 40.2 | -36.9 | 0 | 0 | 0 | 114.3 | | |
| 235 | H | 29 | Very low | 32.5 | Very low | 193 Ų | 193 | 140.5 Ų | 140.5 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | | | trans | -127.2 | 135.8 | 159.4 | -87.5 | -88.3 | 0 | 0 | 0 | 110.9 | | |
| 236 | C | 31.8 | Very low | 33.7 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 75% | 0.75 | 80% | 0.801 | S | S | * | * | | | trans | -104.2 | 176.5 | 165 | -60.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 237 | P | 52 | Low | 33.8 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | | -144.1 | 151.8 | 97.7 | 37 | -22.2 | 0 | 0 | 0 | 116.9 | | |
| 238 | D | 31.6 | Very low | 33.9 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | | | trans | 52.9 | 138.2 | 140.3 | -52.9 | -22.4 | 0 | 0 | 0 | 124.4 | | |
| 239 | G | 30.3 | Very low | 33.9 | Very low | 70 Ų | 70 | 138.3 Ų | 138.3 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | trans | 156.8 | 83.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 240 | T | 31.4 | Very low | 34 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | 31.1 | 116.4 | 155.3 | 54.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 241 | L | 28.7 | Very low | 32.9 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | | | | 50.3 | 137.8 | 73.2 | -62.1 | 176.7 | 0 | 0 | 0 | 114.2 | | |
| 242 | T | 31.2 | Very low | 32.8 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 69% | 0.693 | 78% | 0.777 | S | S | * | * | | | cis | -160.6 | 157.2 | 27.4 | -24.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 243 | S | 30.4 | Very low | 32.7 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | | | trans | 55.9 | 160.9 | 145.7 | 58.6 | 0 | 0 | 0 | 0 | 122.2 | | |
| 244 | R | 30 | Very low | 32.8 | Very low | 246 Ų | 246 | 137 Ų | 137 | 93% | 0.928 | 76% | 0.764 | S | S | * | * | | | cis | -179.6 | 152.4 | -42.6 | -114.9 | -177 | 179.7 | -173.7 | -0.2 | 106.4 | | |
| 245 | L | 34 | Very low | 32.3 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | | | trans | -74.8 | 171.4 | 167.7 | -62.6 | 167.6 | 0 | 0 | 0 | 110.8 | | |
| 246 | P | 53 | Low | 32.2 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | | -149.9 | -166.1 | 92.1 | 48.6 | -31.8 | 0 | 0 | 0 | 112.2 | | |
| 247 | D | 29.2 | Very low | 31.9 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 66% | 0.658 | 77% | 0.769 | S | S | * | * | | | cis | -159.6 | 178.1 | -5.1 | -135.1 | -30.3 | 0 | 0 | 0 | 114.6 | | |
| 248 | F | 28.8 | Very low | 30.7 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | 44.8 | 116 | 147.3 | -75.9 | -56.7 | 0 | 0 | 0 | 125.2 | | |
| 249 | T | 29.1 | Very low | 30.5 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | | 43.3 | 150.2 | 124.4 | 53.1 | 0 | 0 | 0 | 0 | 122.6 | | |
| 250 | S | 28.7 | Very low | 30.3 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | cis | -171 | 155.2 | 20.9 | 20.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 251 | V | 28.7 | Very low | 30 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | | | trans | 74.8 | 125.8 | 138.2 | 167 | 0 | 0 | 0 | 0 | 122.6 | | |
| 252 | F | 25.9 | Very low | 29.9 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 80% | 0.803 | 76% | 0.757 | S | S | * | * | | | trans | 22.7 | 154 | 144.2 | -60.3 | -112 | 0 | 0 | 0 | 121.7 | | |
| 253 | T | 27.7 | Very low | 29.6 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | | | cis | -161.3 | 153.8 | 21.3 | -16.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 254 | Q | 33.5 | Very low | 29.5 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | 29.4 | 126.6 | 146.5 | -71.2 | 177.1 | -19.5 | 0 | 0 | 125.7 | | |
| 255 | S | 33 | Very low | 29.5 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | | 69 | 138.5 | 128.2 | 71.2 | 0 | 0 | 0 | 0 | 124.5 | | |
| 256 | G | 27 | Very low | 29.8 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 88% | 0.876 | 76% | 0.755 | S | S | * | * | | | trans | 91.4 | 150.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 257 | G | 26.8 | Very low | 28.6 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | | | cis | 154.5 | 114.7 | -11.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 258 | E | 26.6 | Very low | 28.6 | Very low | 190 Ų | 190 | 139.3 Ų | 139.3 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | | | trans | 64.1 | 165.4 | 164.5 | -69.9 | -154.7 | 144.4 | 0 | 0 | 118.5 | | |
| 259 | V | 27.4 | Very low | 28.5 | Very low | 106 Ų | 106 | 140 Ų | 140 | 64% | 0.642 | 77% | 0.769 | S | S | * | * | | | | -141.9 | 177.8 | -52.1 | 171 | 0 | 0 | 0 | 0 | 106.4 | | |
| 260 | F | 25.1 | Very low | 28.5 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | | | trans | 106.7 | 93.7 | 152.9 | -78.4 | -90.8 | 0 | 0 | 0 | 121.9 | | |
| 261 | I | 25.9 | Very low | 28.7 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | | | | 77.9 | 153.3 | 110 | -81.6 | -162.6 | 0 | 0 | 0 | 123.4 | | |
| 262 | K | 25.3 | Very low | 28.8 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 73% | 0.726 | 78% | 0.777 | S | S | * | * | | | trans | 87 | 125 | 165.7 | -88 | -176.1 | -177.4 | -155 | 0 | 118.1 | | |
| 263 | Q | 26.7 | Very low | 28.9 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | | | | 74.7 | 147.2 | 83.7 | -78.7 | -170.1 | -56.7 | 0 | 0 | 112.3 | | |
| 264 | E | 27.3 | Very low | 28.9 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | cis | -137.6 | 178.2 | 21 | -70.3 | -174.5 | 128.8 | 0 | 0 | 114.5 | | |
| 265 | M | 30 | Very low | 28.6 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | | | trans | -98.6 | 168.7 | 153.4 | -68.4 | -106 | -78.1 | 0 | 0 | 108.8 | | |
| 266 | P | 40.8 | Very low | 28.6 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | | | | -134.6 | 145.5 | 128.8 | 36.3 | -27.7 | 0 | 0 | 0 | 114.4 | | |
| 267 | S | 28.1 | Very low | 28.6 | Very low | 103 Ų | 103 | 149.7 Ų | 149.7 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | | | trans | -119.1 | 133.5 | 166.3 | 57.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 268 | Q | 28.9 | Very low | 28.8 | Very low | 190 Ų | 190 | 150 Ų | 150 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | | | trans | -160.7 | 162.7 | 156.6 | -78.6 | -149.8 | 1.5 | 0 | 0 | 108.4 | | |
| 269 | F | 26.8 | Very low | 29.1 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | | | cis | -164 | -177.8 | -41.1 | -158.7 | -104.8 | 0 | 0 | 0 | 105.7 | | |
| 270 | E | 28.2 | Very low | 29.1 | Very low | 156 Ų | 156 | 145.8 Ų | 145.8 | 73% | 0.729 | 79% | 0.785 | S | S | * | * | | | trans | 82.2 | 143.3 | 177.5 | -54.3 | -158.7 | 101.5 | 0 | 0 | 118 | | |
| 271 | Q | 33.3 | Very low | 29.6 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | | | cis | -151.7 | 175.6 | -34.6 | -125.9 | -177.9 | 92 | 0 | 0 | 110.2 | | |
| 272 | Q | 30.9 | Very low | 29.8 | Very low | 192 Ų | 192 | 143.7 Ų | 143.7 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | | | trans | -74 | 147 | -168.4 | -60.5 | 162.5 | -2.1 | 0 | 0 | 113.3 | | |
| 273 | G | 27.1 | Very low | 30 | Very low | 76 Ų | 76 | 143.3 Ų | 143.3 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | -167 | 60.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 274 | I | 28 | Very low | 30.3 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -6.1 | 151.4 | 163.2 | -13.5 | 175.6 | 0 | 0 | 0 | 121.1 | | |
| 275 | H | 28.6 | Very low | 30.6 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | | | trans | 104 | 131.3 | 146 | -87.2 | -78 | 0 | 0 | 0 | 122.4 | | |
| 276 | H | 32.2 | Very low | 30.6 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | 69.3 | 108.2 | 153 | -69.7 | -59.3 | 0 | 0 | 0 | 122.8 | | |
| 277 | D | 27.5 | Very low | 30.2 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | | | trans | -59.2 | 146.7 | 144.4 | -70.1 | -71.4 | 0 | 0 | 0 | 112.1 | | |
| 278 | G | 30.6 | Very low | 30.3 | Very low | 77 Ų | 77 | 143.6 Ų | 143.6 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | -170.8 | 66 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G280 | G278-G280 PolarHBondContact O-N 3.31Å; G278-G280 VanDerWaalsContact O-N 3.07Å |
| 279 | S | 31.9 | Very low | 30.3 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 92% | 0.923 | 79% | 0.788 | S | S | * | * | | | trans | -81.6 | 79.9 | -177.8 | 43.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 280 | G | 29.1 | Very low | 30.5 | Very low | 75 Ų | 75 | 136.8 Ų | 136.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | -86.3 | 144.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G278 | G278-G280 PolarHBondContact O-N 3.31Å; G278-G280 VanDerWaalsContact O-N 3.07Å |
| 281 | S | 35.5 | Very low | 30.5 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -92 | 143.4 | -177.9 | 61.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 282 | L | 29.3 | Very low | 30.5 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | | -165 | 145.5 | 129.6 | -131.2 | 70.6 | 0 | 0 | 0 | 115.7 | | |
| 283 | F | 29.2 | Very low | 30.6 | Very low | 159 Ų | 159 | 136 Ų | 136 | 70% | 0.697 | 79% | 0.79 | S | S | * | * | | | trans | 29.3 | 114.7 | 145.5 | -89.8 | -122.1 | 0 | 0 | 0 | 123.7 | | |
| 284 | Q | 33.2 | Very low | 30.9 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | | | | 62 | 165.2 | 109.2 | -68.6 | -173.9 | -1.2 | 0 | 0 | 123.2 | | |
| 285 | L | 32.6 | Very low | 31.3 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | 87.3 | 141.5 | -177.2 | -59.2 | 169.6 | 0 | 0 | 0 | 113.9 | | |
| 286 | L | 31.7 | Very low | 31.6 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | | | cis | -142.3 | 179.6 | 18.2 | -124.3 | 148.7 | 0 | 0 | 0 | 113.2 | | |
| 287 | N | 30.9 | Very low | 31.5 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | | | trans | -100.5 | 141.9 | -174.2 | -69.8 | -37.7 | 0 | 0 | 0 | 114.6 | | |
| 288 | A | 31 | Very low | 31.8 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | | | trans | -179.3 | 150.2 | 143.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 289 | G | 27.8 | Very low | 32 | Very low | 66 Ų | 66 | 141.6 Ų | 141.6 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | | | cis | 124.8 | 110.8 | 1.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 290 | L | 31.2 | Very low | 32.1 | Very low | 158 Ų | 158 | 142 Ų | 142 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | trans | 169.4 | 122.6 | 154.1 | -92.6 | 159.9 | 0 | 0 | 0 | 112.6 | | |
| 291 | D | 29.7 | Very low | 32.5 | Very low | 138 Ų | 138 | 148 Ų | 148 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | | | trans | 62 | 122.8 | 137.9 | -59 | -1.7 | 0 | 0 | 0 | 126.8 | | |
| 292 | H | 33.5 | Very low | 32.5 | Very low | 165 Ų | 165 | 149.9 Ų | 149.9 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | | | trans | 21.9 | 131.1 | 136.5 | -74.6 | -6.2 | 0 | 0 | 0 | 122.8 | | |
| 293 | H | 33.1 | Very low | 32.9 | Very low | 182 Ų | 182 | 152.3 Ų | 152.3 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | | -152.8 | 148.3 | 91.3 | -114.3 | -80 | 0 | 0 | 0 | 113 | | |
| 294 | H | 32.6 | Very low | 33.2 | Very low | 144 Ų | 144 | 151.8 Ų | 151.8 | 67% | 0.667 | 81% | 0.806 | S | S | * | * | | | trans | -139.9 | 138.7 | 177.1 | -158.5 | 67.4 | 0 | 0 | 0 | 108.9 | D296 | H294-D296 IonicContact CD2-OD2 3.44Å; H294-D296 PolarHBondContact CD2-OD2 3.43Å; H294-D296 IonicContact NE2-OD1 2.68Å; H294-D296 IonicContact NE2-OD2 3.66Å; H294-D296 PolarHBondContact NE2-OD2 3.4Å |
| 295 | I | 35.3 | Very low | 33.3 | Very low | 160 Ų | 160 | 153.5 Ų | 153.5 | 82% | 0.821 | 82% | 0.816 | S | S | * | * | | | trans | -141.6 | 120.9 | 165.3 | -65.1 | -173.3 | 0 | 0 | 0 | 107.6 | | |
| 296 | D | 36.1 | Very low | 33.5 | Very low | 136 Ų | 136 | 153.9 Ų | 153.9 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | trans | -88.2 | 172.7 | 176 | -87.6 | -57.3 | 0 | 0 | 0 | 112.6 | H294 | H294-D296 IonicContact CD2-OD2 3.44Å; H294-D296 PolarHBondContact CD2-OD2 3.43Å; H294-D296 IonicContact NE2-OD1 2.68Å; H294-D296 IonicContact NE2-OD2 3.66Å; H294-D296 PolarHBondContact NE2-OD2 3.4Å |
| 297 | G | 29.1 | Very low | 33.7 | Very low | 74 Ų | 74 | 155.7 Ų | 155.7 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | | | trans | 179.5 | 62.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 298 | M | 34.2 | Very low | 33.6 | Very low | 187 Ų | 187 | 155 Ų | 155 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | | | trans | -134.6 | 122.9 | 160.8 | -69.4 | -165.4 | -170.5 | 0 | 0 | 110.2 | | |
| 299 | E | 35.2 | Very low | 33.5 | Very low | 203 Ų | 203 | 154.6 Ų | 154.6 | 95% | 0.949 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 136.8 | 178.5 | -63.6 | 174.8 | 113 | 0 | 0 | 111.4 | | |
| 300 | T | 33.4 | Very low | 33.5 | Very low | 140 Ų | 140 | 156.9 Ų | 156.9 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 131 | 167.1 | 47.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 301 | Q | 38.4 | Very low | 33.5 | Very low | 203 Ų | 203 | 154.8 Ų | 154.8 | 95% | 0.949 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -102 | 127.4 | 168 | -154.3 | 172.6 | 37.6 | 0 | 0 | 110 | | |
| 302 | Q | 35.6 | Very low | 33.4 | Very low | 148 Ų | 148 | 157 Ų | 157 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 134.2 | -169.8 | 175.8 | -178.6 | -3.2 | 0 | 0 | 110.8 | | |
| 303 | Q | 37.3 | Very low | 33.1 | Very low | 205 Ų | 205 | 152.9 Ų | 152.9 | 96% | 0.958 | 80% | 0.804 | S | S | * | * | | | trans | -134.8 | 135.8 | 154.5 | -94.4 | -175.9 | 2 | 0 | 0 | 109.7 | | |
| 304 | Q | 35.2 | Very low | 34 | Very low | 149 Ų | 149 | 149 Ų | 149 | 70% | 0.696 | 79% | 0.794 | S | S | * | * | | | trans | -139.3 | 112.1 | -164.2 | -175 | 174 | 4.4 | 0 | 0 | 108.1 | | |
| 305 | M | 36.3 | Very low | 33.9 | Very low | 189 Ų | 189 | 150.2 Ų | 150.2 | 93% | 0.931 | 80% | 0.798 | S | S | * | * | | | trans | -104.8 | 143.7 | 173.5 | -79.6 | -73.6 | -80.1 | 0 | 0 | 109.6 | | |
| 306 | Q | 36.6 | Very low | 33.7 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -93 | 147.6 | -164.8 | -57.9 | 165.8 | 0.9 | 0 | 0 | 111.2 | | |
| 307 | H | 34.3 | Very low | 33.4 | Very low | 194 Ų | 194 | 150 Ų | 150 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | | | | -166.5 | 173.5 | 119.5 | -103.5 | -59.9 | 0 | 0 | 0 | 111.5 | | |
| 308 | N | 29.7 | Very low | 33.3 | Very low | 139 Ų | 139 | 154 Ų | 154 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | -122.5 | 132.3 | -151 | -160 | 8.2 | 0 | 0 | 0 | 113.1 | | |
| 309 | S | 29.7 | Very low | 33.9 | Very low | 98 Ų | 98 | 150.4 Ų | 150.4 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | trans | 28.2 | 111.9 | 145.8 | -53.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 310 | S | 27.7 | Very low | 33.8 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | | 87.4 | 164.9 | 113.3 | -158.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 311 | V | 30 | Very low | 33.5 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | | | trans | 101.8 | 121.1 | 155.5 | -168.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 312 | H | 27.2 | Very low | 33.1 | Very low | 184 Ų | 184 | 145 Ų | 145 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | | | trans | 64 | 132.7 | 159.2 | -83 | -65.6 | 0 | 0 | 0 | 125 | | |
| 313 | A | 27.8 | Very low | 32.7 | Very low | 78 Ų | 78 | 142.7 Ų | 142.7 | 65% | 0.645 | 77% | 0.771 | S | S | * | * | | | trans | -116.8 | -167.6 | 150.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 314 | P | 52.7 | Low | 32.2 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | | | cis | -143.6 | -161.7 | 3.5 | 29.1 | -1.1 | 0 | 0 | 0 | 115.7 | | |
| 315 | F | 29.2 | Very low | 31.9 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | | | trans | 113.1 | 131.8 | 143.7 | -78.7 | -56.4 | 0 | 0 | 0 | 123.3 | | |
| 316 | H | 32.8 | Very low | 31.8 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | | | trans | 60.1 | 145.9 | 154 | -73.3 | -73.7 | 0 | 0 | 0 | 119.8 | | |
| 317 | N | 29.3 | Very low | 31.5 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | | | cis | -145.6 | 172.2 | 14.1 | -120.1 | -26.4 | 0 | 0 | 0 | 114.7 | | |
| 318 | L | 26.4 | Very low | 31.4 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | | | trans | -102.3 | -173.9 | -179.5 | -72.2 | 165.6 | 0 | 0 | 0 | 111.5 | | |
| 319 | P | 47.8 | Very low | 31.4 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | | | cis | -116.2 | -155.5 | -7 | 29.5 | -5.6 | 0 | 0 | 0 | 110.8 | | |
| 320 | V | 31.7 | Very low | 31.3 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | | | cis | -146 | -174.6 | 9.6 | -125.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 321 | N | 28.1 | Very low | 31.5 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | | | cis | -147.9 | -172.4 | 13.9 | -151.5 | -14.5 | 0 | 0 | 0 | 111.7 | | |
| 322 | H | 29.2 | Very low | 31.6 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | | | trans | -101.2 | 143.4 | -167.9 | -74.2 | -100.7 | 0 | 0 | 0 | 117.3 | | |
| 323 | A | 27 | Very low | 31.7 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | | -158.8 | 129.2 | 124.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 324 | S | 27.1 | Very low | 31.7 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | trans | -11.7 | 133.3 | 170.7 | -56.4 | 0 | 0 | 0 | 0 | 120.2 | | |
| 325 | S | 29.7 | Very low | 30.5 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | | 74.5 | 128.9 | 63.1 | -158.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 326 | Q | 34.2 | Very low | 30.5 | Very low | 152 Ų | 152 | 143.2 Ų | 143.2 | 71% | 0.71 | 78% | 0.778 | S | S | * | * | | | cis | -158.7 | 158 | 12.4 | -135.8 | 166.5 | -11.8 | 0 | 0 | 112.6 | | |
| 327 | Q | 30.4 | Very low | 30.3 | Very low | 140 Ų | 140 | 146 Ų | 146 | 65% | 0.654 | 78% | 0.783 | S | S | * | * | | | trans | 34.6 | 147.6 | 138.5 | -78.7 | 177.3 | -94.4 | 0 | 0 | 122.4 | | |
| 328 | E | 31.9 | Very low | 30.3 | Very low | 133 Ų | 133 | 145.2 Ų | 145.2 | 62% | 0.621 | 78% | 0.783 | S | S | * | * | | | cis | -157.2 | 171.7 | 16.8 | -122.9 | -173 | 167.7 | 0 | 0 | 115.7 | | |
| 329 | Q | 30.2 | Very low | 30.4 | Very low | 169 Ų | 169 | 146.9 Ų | 146.9 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | 11.3 | 146.2 | 155.9 | -51.9 | 176.9 | 42 | 0 | 0 | 121.6 | | |
| 330 | G | 27.9 | Very low | 29.5 | Very low | 63 Ų | 63 | 145.8 Ų | 145.8 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | | | cis | 163.5 | -179.3 | -2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 331 | T | 30.9 | Very low | 29.4 | Very low | 154 Ų | 154 | 149 Ų | 149 | 95% | 0.945 | 79% | 0.787 | S | S | * | * | | | trans | 77.4 | 162.8 | 171.5 | 76.5 | 0 | 0 | 0 | 0 | 120 | | |
| 332 | K | 32.9 | Very low | 29.9 | Very low | 211 Ų | 211 | 148.1 Ų | 148.1 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | | | trans | -132.2 | 147.2 | -170.2 | -53.9 | 166.7 | -178.5 | 170.5 | 0 | 110.7 | | |
| 333 | A | 28.1 | Very low | 30 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | -162 | 137.4 | 148.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 334 | S | 28.5 | Very low | 30.2 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | trans | -86 | 147.2 | 168.8 | -57 | 0 | 0 | 0 | 0 | 110.6 | | |
| 335 | Y | 26.3 | Very low | 30.4 | Very low | 226 Ų | 226 | 151.2 Ų | 151.2 | 89% | 0.886 | 79% | 0.794 | S | S | * | * | | | trans | -119.7 | 136.3 | 167.3 | -152.3 | -90.3 | 0 | 0 | 0 | 112.9 | | |
| 336 | R | 29.3 | Very low | 30.6 | Very low | 225 Ų | 225 | 152.8 Ų | 152.8 | 85% | 0.849 | 80% | 0.799 | S | S | * | * | | | trans | -103.2 | 108.5 | -168.3 | -168.9 | -176.2 | -164.5 | 175.6 | 4.6 | 109.3 | V338 | R336-V338 PolarHBondContact O-N 3.45Š|
| 337 | R | 29.3 | Very low | 30.6 | Very low | 208 Ų | 208 | 154.7 Ų | 154.7 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -88.4 | 109.2 | 177.3 | -106.5 | -177.1 | -176.2 | 153.9 | 5.4 | 112 | | |
| 338 | V | 29.6 | Very low | 30.7 | Very low | 125 Ų | 125 | 152.9 Ų | 152.9 | 76% | 0.758 | 81% | 0.811 | S | S | * | * | | | trans | -85.6 | 135.1 | 163.7 | 178.3 | 0 | 0 | 0 | 0 | 108.3 | R336 | R336-V338 PolarHBondContact O-N 3.45Š|
| 339 | Y | 29.3 | Very low | 30.8 | Very low | 193 Ų | 193 | 154.8 Ų | 154.8 | 76% | 0.757 | 82% | 0.819 | S | S | * | * | | | trans | -104.9 | 114.5 | 168.2 | -80 | -84.8 | 0 | 0 | 0 | 109.4 | | |
| 340 | A | 27.5 | Very low | 30.8 | Very low | 89 Ų | 89 | 155.9 Ų | 155.9 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 152.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 341 | H | 29.9 | Very low | 31.2 | Very low | 186 Ų | 186 | 158.2 Ų | 158.2 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 134.8 | 174.4 | -76.6 | -88.1 | 0 | 0 | 0 | 111.6 | | |
| 342 | P | 38.1 | Very low | 31.4 | Very low | 124 Ų | 124 | 157.2 Ų | 157.2 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 120 | 156.2 | 32.3 | -28.3 | 0 | 0 | 0 | 109.6 | | |
| 343 | N | 31.6 | Very low | 31.5 | Very low | 164 Ų | 164 | 154.6 Ų | 154.6 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | | | trans | -139.8 | 93.9 | 162.7 | -172.1 | 31.9 | 0 | 0 | 0 | 107.1 | | |
| 344 | A | 31.5 | Very low | 31.7 | Very low | 87 Ų | 87 | 159.1 Ų | 159.1 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | | | trans | -120.1 | 126.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 345 | Q | 32.2 | Very low | 32.2 | Very low | 198 Ų | 198 | 159.5 Ų | 159.5 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | | | trans | -69.8 | 142.8 | 165 | -65.4 | 160.3 | -70.8 | 0 | 0 | 108.6 | | |
| 346 | V | 33.4 | Very low | 33.2 | Very low | 131 Ų | 131 | 153.4 Ų | 153.4 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | trans | -117.5 | 127.3 | 168.5 | 179.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 347 | H | 34.3 | Very low | 33.2 | Very low | 191 Ų | 191 | 153.4 Ų | 153.4 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | | | trans | -139.2 | 114.1 | 178.2 | -155.8 | -154.7 | 0 | 0 | 0 | 107.3 | | |
| 348 | S | 32.5 | Very low | 33.7 | Very low | 103 Ų | 103 | 151.1 Ų | 151.1 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | trans | -157.2 | 119.9 | 175.5 | 55.2 | 0 | 0 | 0 | 0 | 111 | | |
| 349 | H | 32.6 | Very low | 34.4 | Very low | 172 Ų | 172 | 150.6 Ų | 150.6 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | | | trans | -77.6 | 149.9 | 158.2 | -97.2 | -118.4 | 0 | 0 | 0 | 109.3 | | |
| 350 | Y | 31.4 | Very low | 35 | Very low | 193 Ų | 193 | 147.3 Ų | 147.3 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | | | | -172.8 | -177.9 | 90.4 | -150.5 | -108.8 | 0 | 0 | 0 | 111.6 | | |
| 351 | L | 37 | Very low | 35.4 | Very low | 111 Ų | 111 | 148.3 Ų | 148.3 | 58% | 0.581 | 79% | 0.786 | S | S | * | * | | | trans | -69 | 174.7 | -166.9 | -58.9 | -177.8 | 0 | 0 | 0 | 113.9 | | |
| 352 | Q | 33.6 | Very low | 36.1 | Very low | 133 Ų | 133 | 145.2 Ų | 145.2 | 62% | 0.621 | 78% | 0.782 | S | S | * | * | | | cis | -163.1 | 150.1 | 33.3 | -154.8 | 132.6 | -26.9 | 0 | 0 | 117 | | |
| 353 | Q | 35.9 | Very low | 36.2 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | trans | 50 | 106.8 | 152.8 | -75.9 | 166 | 11.5 | 0 | 0 | 121.1 | | |
| 354 | Q | 32.8 | Very low | 36 | Very low | 198 Ų | 198 | 142.9 Ų | 142.9 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | | | | -155.2 | 143.8 | 127.2 | -109.4 | 171 | 35.7 | 0 | 0 | 110.6 | | |
| 355 | V | 37.6 | Very low | 36 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -155.4 | 153.6 | -176.7 | -133.9 | 0 | 0 | 0 | 0 | 106 | | |
| 356 | P | 47.1 | Very low | 36 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | | | cis | -128.6 | 177.5 | 6.4 | 43.5 | -29.4 | 0 | 0 | 0 | 115 | | |
| 357 | Y | 31.1 | Very low | 36.3 | Very low | 224 Ų | 224 | 143.7 Ų | 143.7 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | | | | -171.2 | 138.1 | 116.7 | -112.9 | -78 | 0 | 0 | 0 | 110.9 | | |
| 358 | L | 39.4 | Very low | 36 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | | | trans | -132.5 | 125.6 | 175.7 | -101.7 | 158.8 | 0 | 0 | 0 | 108.5 | | |
| 359 | P | 43.3 | Very low | 35.7 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 153.9 | 165.8 | 32.3 | -32.5 | 0 | 0 | 0 | 110.9 | | |
| 360 | P | 43 | Very low | 36.2 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 156.4 | -161.5 | 35.3 | -37.3 | 0 | 0 | 0 | 115.4 | | |
| 361 | S | 34.8 | Very low | 36.3 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74 | 144.6 | 161 | -49.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 362 | P | 45 | Very low | 36 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 151.9 | 169.4 | 31.2 | -34.3 | 0 | 0 | 0 | 111.6 | | |
| 363 | P | 41 | Very low | 35.7 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83 | 149.6 | -173.6 | 33.1 | -35.9 | 0 | 0 | 0 | 113.9 | | |
| 364 | S | 27.5 | Very low | 35.5 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 130.8 | 165.5 | 53.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 365 | S | 31.1 | Very low | 35.5 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -153.8 | 109.8 | 171.8 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 366 | E | 32.7 | Very low | 35.3 | Very low | 189 Ų | 189 | 139.3 Ų | 139.3 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | | | trans | -95.4 | 173.1 | 156.6 | -74.1 | -156.2 | 143.3 | 0 | 0 | 109.1 | | |
| 367 | P | 39.7 | Very low | 34.5 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | cis | -125.7 | 169.3 | 1.2 | 40 | -25.9 | 0 | 0 | 0 | 114.8 | | |
| 368 | G | 26.4 | Very low | 34.5 | Very low | 82 Ų | 82 | 138.9 Ų | 138.9 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | | | trans | -175.5 | 121.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 369 | S | 26.2 | Very low | 33.9 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | trans | -162.6 | 152.6 | 176.9 | -165.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 370 | P | 43.9 | Very low | 33.2 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | | | cis | -132 | -172.8 | 12.6 | 37.5 | -18 | 0 | 0 | 0 | 116.1 | | |
| 371 | D | 32.6 | Very low | 32.6 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | | | trans | 106.2 | 150 | 135.2 | -127.6 | -35.8 | 0 | 0 | 0 | 121.5 | | |
| 372 | R | 30.8 | Very low | 32.9 | Very low | 202 Ų | 202 | 140.4 Ų | 140.4 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | | | trans | 75.8 | 83.8 | 164.2 | -63.6 | -166.5 | 172.7 | -167.4 | -3.9 | 122.8 | | |
| 373 | Q | 28.6 | Very low | 32.4 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | | | | 72.3 | 143.5 | 108.4 | -76.4 | 178.3 | -35.1 | 0 | 0 | 122.6 | | |
| 374 | K | 31.4 | Very low | 32.2 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | 72.9 | 142.1 | 165.9 | -66.8 | 179.7 | 179.5 | -175.8 | 0 | 117.6 | | |
| 375 | E | 33.1 | Very low | 32.4 | Very low | 162 Ų | 162 | 141 Ų | 141 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | | | cis | -168.8 | 174.7 | -28.7 | -131.4 | -166.8 | 125.1 | 0 | 0 | 109.1 | | |
| 376 | L | 31.8 | Very low | 32.3 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | | | trans | 92 | 91.8 | 167.2 | -55.6 | 174.9 | 0 | 0 | 0 | 120.2 | | |
| 377 | L | 30.9 | Very low | 32 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | | | | 52.2 | 112.5 | 124.1 | -73.7 | 163.5 | 0 | 0 | 0 | 121.9 | | |
| 378 | H | 30.6 | Very low | 31.6 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | 0.5 | 130.5 | 143.5 | -54.6 | 116.9 | 0 | 0 | 0 | 120 | | |
| 379 | T | 26.9 | Very low | 31.8 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | | | | -172.5 | 95.2 | 123.3 | 16.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 380 | L | 29.5 | Very low | 32 | Very low | 182 Ų | 182 | 144 Ų | 144 | 95% | 0.953 | 79% | 0.789 | S | S | * | * | | | trans | -140 | 125.6 | 160.7 | -78.5 | -179.4 | 0 | 0 | 0 | 110 | | |
| 381 | S | 30.1 | Very low | 31.3 | Very low | 115 Ų | 115 | 143 Ų | 143 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 131.6 | 179 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 382 | P | 41.2 | Very low | 31.2 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 149.9 | 168.7 | 31.7 | -33.4 | 0 | 0 | 0 | 111 | | |
| 383 | P | 34.3 | Very low | 31.3 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69 | 150.1 | -178.5 | 28.8 | -35.2 | 0 | 0 | 0 | 112.5 | | |
| 384 | P | 37.7 | Very low | 31.4 | Very low | 129 Ų | 129 | 142 Ų | 142 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 142.9 | -170.9 | 29.8 | -35.9 | 0 | 0 | 0 | 113.6 | | |
| 385 | S | 31.7 | Very low | 31.3 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | trans | -83.1 | 177.7 | 163 | 60.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 386 | Y | 27.1 | Very low | 31.2 | Very low | 226 Ų | 226 | 134 Ų | 134 | 89% | 0.886 | 81% | 0.807 | S | S | * | * | | | trans | -104.2 | 152.2 | -164.3 | -171.2 | -97.1 | 0 | 0 | 0 | 112.6 | | |
| 387 | A | 28.2 | Very low | 31.1 | Very low | 89 Ų | 89 | 131.7 Ų | 131.7 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | | | trans | 71.9 | 150.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 388 | A | 29.9 | Very low | 31.3 | Very low | 82 Ų | 82 | 131.1 Ų | 131.1 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | | | cis | -137.3 | 166.8 | 8.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 389 | T | 30.2 | Very low | 32.1 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | | | trans | -141.3 | 127.6 | 163.8 | -59 | 0 | 0 | 0 | 0 | 108 | | |
| 390 | I | 32 | Very low | 32.2 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | -129.8 | 144.7 | -176.5 | -76.4 | -179.5 | 0 | 0 | 0 | 110 | | |
| 391 | A | 29.2 | Very low | 32.3 | Very low | 90 Ų | 90 | 126 Ų | 126 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | | | trans | 66.5 | 116.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 392 | S | 30.5 | Very low | 32.1 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | trans | -160.7 | 138.1 | 152.1 | -84.7 | 0 | 0 | 0 | 0 | 105.8 | | |
| 393 | K | 32.3 | Very low | 32.3 | Very low | 192 Ų | 192 | 125.6 Ų | 125.6 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | cis | -151.4 | 169.8 | -1.1 | -99 | 169.5 | 179.6 | 179.9 | 0 | 108 | | |
| 394 | L | 30.5 | Very low | 32 | Very low | 177 Ų | 177 | 124.6 Ų | 124.6 | 93% | 0.927 | 82% | 0.818 | S | S | * | * | | | trans | -126 | 159.9 | 162.8 | -84.5 | 172.4 | 0 | 0 | 0 | 110.7 | | |
| 395 | A | 30.5 | Very low | 31.5 | Very low | 105 Ų | 105 | 122.5 Ų | 122.5 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | | | trans | 65.1 | 146.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 396 | G | 30 | Very low | 31.6 | Very low | 74 Ų | 74 | 125 Ų | 125 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | | | cis | -174.8 | 173.5 | -2.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 397 | A | 30.6 | Very low | 31.9 | Very low | 92 Ų | 92 | 121.2 Ų | 121.2 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | | | trans | -38.6 | 161 | 176.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 398 | T | 34.7 | Very low | 32.1 | Very low | 135 Ų | 135 | 121.9 Ų | 121.9 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | | | cis | -150.1 | -129.5 | -7.8 | 27.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 399 | P | 46.2 | Very low | 32.5 | Very low | 126 Ų | 126 | 124.4 Ų | 124.4 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | | -123.3 | 165.9 | -117.2 | 39.2 | -21.3 | 0 | 0 | 0 | 117 | | |
| 400 | G | 29.6 | Very low | 32.8 | Very low | 74 Ų | 74 | 125.5 Ų | 125.5 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | | | trans | -160.9 | 109.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 401 | L | 31.4 | Very low | 32.9 | Very low | 181 Ų | 181 | 126 Ų | 126 | 95% | 0.948 | 81% | 0.813 | S | S | * | * | | | trans | 16.7 | 135.6 | 156.5 | -58.7 | 168.9 | 0 | 0 | 0 | 121.1 | | |
| 402 | G | 27.1 | Very low | 33.1 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | | | trans | -82 | -152.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 403 | P | 43.9 | Very low | 33.4 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | | | cis | -125.6 | -170.5 | 36.6 | 41.9 | -28.6 | 0 | 0 | 0 | 115.6 | | |
| 404 | A | 29.2 | Very low | 33.8 | Very low | 100 Ų | 100 | 121.6 Ų | 121.6 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | | | trans | -89.7 | 157 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 405 | A | 27.1 | Very low | 34.5 | Very low | 86 Ų | 86 | 118.7 Ų | 118.7 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | | | trans | -155.8 | 129.1 | 151.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 406 | Q | 33.4 | Very low | 35.1 | Very low | 174 Ų | 174 | 124.1 Ų | 124.1 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | 58.6 | 93.7 | 142.4 | -61 | 174 | 31 | 0 | 0 | 120 | T408 | Q406-T408 PolarHBondContact O-N 2.72Š|
| 407 | T | 32.9 | Very low | 35.4 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | | | trans | -48.5 | 119.3 | 153.1 | -25.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 408 | T | 33.4 | Very low | 36.1 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 63% | 0.626 | 79% | 0.793 | S | S | * | * | | | trans | -125.2 | 110 | 172.6 | -59 | 0 | 0 | 0 | 0 | 109.8 | Q406 Q410 | Q406-T408 PolarHBondContact O-N 2.72Å; T408-Q410 HydrophobicContact CG2-CG 4.23Å; T408-Q410 PolarHBondContact O-N 2.95Å |
| 409 | T | 38.5 | Very low | 36.9 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | | | trans | -72.8 | 83.9 | 178.8 | 33.4 | 0 | 0 | 0 | 0 | 111.5 | N411 | T409-N411 PolarHBondContact O-N 2.97Š|
| 410 | Q | 35.2 | Very low | 37.1 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -76.4 | 116.6 | 171.6 | -65.6 | -160.7 | -0.7 | 0 | 0 | 110.6 | T408 S412 | T408-Q410 HydrophobicContact CG2-CG 4.23Å; T408-Q410 PolarHBondContact O-N 2.95Å; Q410-S412 PolarHBondContact O-N 3.33Å; Q410-S412 VanDerWaalsContact O-N 3.1Å |
| 411 | N | 34.6 | Very low | 37.9 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | | | trans | -61.8 | 109.8 | 174 | -90.4 | -56.3 | 0 | 0 | 0 | 110.4 | T409 G413 | T409-N411 PolarHBondContact O-N 2.97Å; N411-G413 PolarHBondContact O-N 3.41Å |
| 412 | S | 33.7 | Very low | 38.6 | Very low | 118 Ų | 118 | 141 Ų | 141 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | -69.9 | 65.1 | 167.9 | -66.7 | 0 | 0 | 0 | 0 | 111.3 | Q410 T414 | Q410-S412 PolarHBondContact O-N 3.33Å; Q410-S412 VanDerWaalsContact O-N 3.1Å; S412-T414 PolarHBondContact O-N 3.07Å |
| 413 | G | 37.3 | Very low | 39.9 | Very low | 58 Ų | 58 | 142.5 Ų | 142.5 | 60% | 0.598 | 77% | 0.771 | S | S | * | * | | | trans | -57.2 | 119.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | N411 V415 | N411-G413 PolarHBondContact O-N 3.41Å; G413-V415 PolarHBondContact O-N 3.04Å |
| 414 | T | 40.2 | Very low | 40.3 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | | | trans | -68.9 | 96.2 | -174.7 | 44.4 | 0 | 0 | 0 | 0 | 110.7 | S412 R416 | S412-T414 PolarHBondContact O-N 3.07Å; T414-R416 VanDerWaalsContact C-N 3.34Å; T414-R416 PolarHBondContact O-N 3.31Å |
| 415 | V | 44.7 | Very low | 41.5 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | | | trans | -61.3 | 96.7 | 173.8 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | G413 Y417 | G413-V415 PolarHBondContact O-N 3.04Å; V415-Y417 VanDerWaalsContact C-N 3.27Å; V415-Y417 HydrophobicContact CG1-CD2 4.12Å; V415-Y417 HydrophobicContact CG1-CE2 4.23Å; V415-Y417 PolarHBondContact O-N 3.01Å |
| 416 | R | 43.9 | Very low | 42.7 | Very low | 218 Ų | 218 | 146.2 Ų | 146.2 | 82% | 0.823 | 75% | 0.751 | S | S | * | * | | | trans | -65.6 | 87.2 | 174.7 | -70.1 | -179.8 | 178.9 | 164.9 | -0.6 | 108.8 | T414 N418 | T414-R416 VanDerWaalsContact C-N 3.34Å; T414-R416 PolarHBondContact O-N 3.31Å; R416-N418 PolarHBondContact O-N 3.36Å |
| 417 | Y | 35.2 | Very low | 43.8 | Very low | 213 Ų | 213 | 147.2 Ų | 147.2 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | | | trans | -55.6 | 107.2 | 177.3 | -105.2 | -89.6 | 0 | 0 | 0 | 110.1 | V415 R419 | V415-Y417 VanDerWaalsContact C-N 3.27Å; V415-Y417 HydrophobicContact CG1-CD2 4.12Å; V415-Y417 HydrophobicContact CG1-CE2 4.23Å; V415-Y417 PolarHBondContact O-N 3.01Å; Y417-R419 VanDerWaalsContact C-N 3.29Å; Y417-R419 PolarHBondContact O-N 3.04Å |
| 418 | N | 45.9 | Very low | 45.2 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | | | trans | -71.1 | 84 | -178.1 | -85.9 | -49.9 | 0 | 0 | 0 | 110.2 | R416 R420 N421 | R416-N418 PolarHBondContact O-N 3.36Å; N418-R420 PolarHBondContact O-N 2.93Å; N418-N421 PolarHBondContact O-N 2.85Å |
| 419 | R | 51.4 | Low | 47.1 | Very low | 220 Ų | 220 | 152.9 Ų | 152.9 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -49.8 | -12 | -177.7 | -170.6 | -179.1 | -73.3 | -173.4 | -2.8 | 115.3 | Y417 | Y417-R419 VanDerWaalsContact C-N 3.29Å; Y417-R419 PolarHBondContact O-N 3.04Å |
| 420 | R | 50.8 | Low | 49.3 | Very low | 241 Ų | 241 | 150.9 Ų | 150.9 | 91% | 0.909 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -76.6 | -23.5 | 176.7 | -64.7 | -179.7 | -178.7 | 156.8 | 2.3 | 113.7 | N418 | N418-R420 PolarHBondContact O-N 2.93Š|
| 421 | N | 46.5 | Very low | 51.7 | Low | 142 Ų | 142 | 145 Ų | 145 | 76% | 0.759 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -120.2 | 36.9 | -172.9 | -65.4 | 21.3 | 0 | 0 | 0 | 113.1 | N418 P423 | N418-N421 PolarHBondContact O-N 2.85Å; N421-P423 WeakPolarHBondContact O-CD 3.27Å |
| 422 | N | 44.7 | Very low | 54.2 | Low | 88 Ų | 88 | 142.2 Ų | 142.2 | 47% | 0.471 | 68% | 0.683 | S | S | . | * | | | trans | -93.3 | 112.6 | 166.1 | -174.9 | 2.3 | 0 | 0 | 0 | 109.6 | D424 L425 | N422-D424 PolarHBondContact O-N 3.49Å; N422-D424 WeakPolarHBondContact OD1-CB 3.36Å; N422-D424 PolarHBondContact OD1-N 3.03Å; N422-L425 PolarHBondContact O-N 3.33Å |
| 423 | P | 55.2 | Low | 56.9 | Low | 104 Ų | 104 | 137 Ų | 137 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -65.3 | -23.1 | 178 | 27.5 | -34.9 | 0 | 0 | 0 | 113.2 | N421 L425 E426 | N421-P423 WeakPolarHBondContact O-CD 3.27Å; P423-L425 PolarHBondContact O-N 3.3Å; P423-E426 VanDerWaalsContact O-CB 3.3Å; P423-E426 WeakPolarHBondContact O-CB 3.49Å; P423-E426 PolarHBondContact O-N 3.29Å |
| 424 | D | 51.8 | Low | 59.2 | Low | 134 Ų | 134 | 141 Ų | 141 | 72% | 0.717 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -67.3 | -4.7 | -179.5 | -147.8 | 5.6 | 0 | 0 | 0 | 113.4 | N422 E426 | N422-D424 PolarHBondContact O-N 3.49Å; N422-D424 WeakPolarHBondContact OD1-CB 3.36Å; N422-D424 PolarHBondContact OD1-N 3.03Å; D424-E426 PolarHBondContact O-N 3.41Å |
| 425 | L | 55.3 | Low | 61.3 | Low | 88 Ų | 88 | 140.2 Ų | 140.2 | 46% | 0.461 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -74 | -3.6 | 166.7 | -71.8 | 171.4 | 0 | 0 | 0 | 113.7 | N422 P423 K427 R428 | N422-L425 PolarHBondContact O-N 3.33Å; P423-L425 PolarHBondContact O-N 3.3Å; L425-K427 PolarHBondContact O-N 3.47Å; L425-R428 WeakPolarHBondContact O-CG 3.34Å; L425-R428 PolarHBondContact O-N 3.39Å |
| 426 | E | 52.1 | Low | 63.2 | Low | 179 Ų | 179 | 139.7 Ų | 139.7 | 84% | 0.836 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -65 | -22.6 | 179.2 | -171.3 | 151.1 | -153.2 | 0 | 0 | 112.8 | P423 D424 R428 | P423-E426 VanDerWaalsContact O-CB 3.3Å; P423-E426 WeakPolarHBondContact O-CB 3.49Å; P423-E426 PolarHBondContact O-N 3.29Å; D424-E426 PolarHBondContact O-N 3.41Å; E426-R428 PolarHBondContact O-N 2.82Å |
| 427 | K | 56.1 | Low | 65.1 | Low | 196 Ų | 196 | 133.2 Ų | 133.2 | 85% | 0.852 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -82.6 | 37.5 | 173.8 | -140.4 | 164.1 | -166.3 | 167 | 0 | 114.3 | L425 R429 | L425-K427 PolarHBondContact O-N 3.47Å; K427-R429 VanDerWaalsContact C-N 3.25Å; K427-R429 PolarHBondContact O-N 2.88Å |
| 428 | R | 61.9 | Low | 67.5 | Low | 171 Ų | 171 | 124.2 Ų | 124.2 | 65% | 0.645 | 61% | 0.606 | S | S | * | * | | | trans | -63.9 | 86.1 | 162.1 | -79.5 | -174.5 | -169 | -159.7 | 5.3 | 109.6 | L425 E426 I430 | L425-R428 WeakPolarHBondContact O-CG 3.34Å; L425-R428 PolarHBondContact O-N 3.39Å; E426-R428 PolarHBondContact O-N 2.82Å; R428-I430 PolarHBondContact O-N 2.82Å |
| 429 | R | 73.4 | Confident | 69.6 | Low | 195 Ų | 195 | 127.2 Ų | 127.2 | 74% | 0.736 | 61% | 0.613 | S | S | * | * | | | trans | -52 | 109.5 | 175.7 | -169.9 | -178.4 | -62.4 | -165.4 | 2.7 | 109.3 | K427 H431 | K427-R429 VanDerWaalsContact C-N 3.25Å; K427-R429 PolarHBondContact O-N 2.88Å; R429-H431 PolarHBondContact O-CD2 3.35Å; R429-H431 PolarHBondContact O-N 3.2Å |
| 430 | I | 85.3 | Confident | 71.4 | Confident | 94 Ų | 94 | 122 Ų | 122 | 48% | 0.482 | 60% | 0.596 | S | S | . | * | | | trans | -75.6 | 123.4 | 174.7 | -57.2 | -179.6 | 0 | 0 | 0 | 106.8 | R428 V441 | R428-I430 PolarHBondContact O-N 2.82Å; I430-V441 HydrophobicContact CG2-CB 3.87Å; I430-V441 HydrophobicContact CG2-CG2 4.32Å |
| 431 | H | 85.9 | Confident | 73.3 | Confident | 45 Ų | 45 | 114.5 Ų | 114.5 | 21% | 0.208 | 58% | 0.577 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 99.5 | 178.7 | -66.2 | -84.3 | 0 | 0 | 0 | 108.3 | R429 V441 Y442 K444 S445 L448 | R429-H431 PolarHBondContact O-CD2 3.35Å; R429-H431 PolarHBondContact O-N 3.2Å; H431-V441 CarbonylContact O-C 3.39Å; H431-V441 WeakPolarHBondContact O-CA 3.41Å; H431-Y442 WeakPolarHBondContact CB-O 3.24Å; H431-Y442 PolarHBondContact N-O 3.36Å; H431-Y442 PolarHBondContact O-N 3.07Å; H431-K444 VanDerWaalsContact CD2-C 3.46Å; H431-S445 PolarHBondContact CD2-N 3.37Å; H431-S445 VanDerWaalsContact CD2-N 3.3Å; H431-S445 PolarHBondContact NE2-N 2.65Å; H431-L448 HydrophobicContact CB-CB 3.94Å; H431-L448 HydrophobicContact CB-CD2 3.88Å; H431-L448 HydrophobicContact CB-CG 4.47Å |
| 432 | H | 86.7 | Confident | 75.4 | Confident | 106 Ų | 106 | 110.1 Ų | 110.1 | 49% | 0.491 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.8 | 158.6 | 172.6 | -57 | -62 | 0 | 0 | 0 | 110.5 | V441 L448 | H432-V441 WeakPolarHBondContact ND1-CG1 3.31Å; H432-L448 VanDerWaalsContact O-CD1 3.31Å; H432-L448 WeakPolarHBondContact O-CD1 3.3Å; H432-L448 VanDerWaalsContact O-CD2 3.27Å; H432-L448 WeakPolarHBondContact O-CD2 3.23Å |
| 433 | C | 89.6 | Confident | 77.5 | Confident | 10 Ų | 10 | 110.5 Ų | 110.5 | 7% | 0.068 | 56% | 0.556 | C | S | . | * | | | trans | -98.5 | 114 | 170.6 | -174 | 0 | 0 | 0 | 0 | 109.4 | Y435 C438 K440 L448 H451 | C433-Y435 PolarHBondContact O-N 2.68Å; C433-C438 HydrophobicContact CB-CB 4.28Å; C433-K440 WeakPolarHBondContact CB-O 3.48Å; C433-K440 PolarHBondContact N-O 2.89Å; C433-L448 HydrophobicContact CB-CD1 3.94Å; C433-H451 PolarHBondContact SG-NE2 2.79Å; C433-H451 VanDerWaalsContact SG-NE2 3.42Å |
| 434 | D | 86.8 | Confident | 78.9 | Confident | 140 Ų | 140 | 111 Ų | 111 | 75% | 0.749 | 55% | 0.548 | S | S | * | . | | | trans | -81.4 | 6.3 | -173.8 | -45.4 | -55.5 | 0 | 0 | 0 | 113.2 | | |
| 435 | Y | 84.8 | Confident | 80.5 | Confident | 109 Ų | 109 | 108.1 Ų | 108.1 | 43% | 0.427 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -75.1 | 132.1 | 179.2 | -172.4 | -91.9 | 0 | 0 | 0 | 111.2 | C433 G437 C438 H455 | C433-Y435 PolarHBondContact O-N 2.68Å; Y435-G437 PolarHBondContact O-N 3.26Å; Y435-C438 VanDerWaalsContact O-CB 3.32Å; Y435-C438 WeakPolarHBondContact O-CB 3.34Å; Y435-C438 PolarHBondContact O-N 2.82Å; Y435-H455 HydrophobicContact CD1-CB 4.06Å; Y435-H455 AromaticContact CD1-CE1 3.52Å; Y435-H455 AromaticContact CD1-CG 3.56Å; Y435-H455 AromaticContact CD1-ND1 3.19Å; Y435-H455 WeakPolarHBondContact CD1-ND1 3.35Å; Y435-H455 HydrophobicContact CD2-CB 3.55Å; Y435-H455 AromaticContact CD2-CG 3.92Å; Y435-H455 HydrophobicContact CE1-CB 4.24Å; Y435-H455 AromaticContact CE1-ND1 3.43Å; Y435-H455 WeakPolarHBondContact CE1-ND1 3.43Å; Y435-H455 HydrophobicContact CE2-CB 3.75Å; Y435-H455 HydrophobicContact CG-CB 3.7Å; Y435-H455 AromaticContact CG-CD2 3.86Å; Y435-H455 AromaticContact CG-CG 3.49Å; Y435-H455 VanDerWaalsContact CG-CG 3.49Å; Y435-H455 AromaticContact CG-ND1 3.66Å |
| 436 | P | 84.6 | Confident | 81.9 | Confident | 106 Ų | 106 | 107.4 Ų | 107.4 | 69% | 0.688 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 132.3 | -176.1 | 21.8 | -33.9 | 0 | 0 | 0 | 112.4 | C438 | P436-C438 PolarHBondContact O-N 2.83Š|
| 437 | G | 83.4 | Confident | 83.6 | Confident | 83 Ų | 83 | 103.3 Ų | 103.3 | 86% | 0.856 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | -11.5 | -176 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y435 | Y435-G437 PolarHBondContact O-N 3.26Š|
| 438 | C | 86.3 | Confident | 85.1 | Confident | 23 Ų | 23 | 95 Ų | 95 | 16% | 0.155 | 49% | 0.486 | C | S | . | . | | | trans | -82.6 | 139.2 | 173.7 | -160.6 | 0 | 0 | 0 | 0 | 111.8 | C433 Y435 P436 H451 H455 | C433-C438 HydrophobicContact CB-CB 4.28Å; Y435-C438 VanDerWaalsContact O-CB 3.32Å; Y435-C438 WeakPolarHBondContact O-CB 3.34Å; Y435-C438 PolarHBondContact O-N 2.82Å; P436-C438 PolarHBondContact O-N 2.83Å; C438-H451 PolarHBondContact SG-NE2 2.96Å; C438-H455 WeakPolarHBondContact CB-NE2 3.28Å; C438-H455 PolarHBondContact SG-NE2 3.47Å |
| 439 | K | 89 | Confident | 86.1 | Confident | 197 Ų | 197 | 93.8 Ų | 93.8 | 86% | 0.857 | 49% | 0.485 | S | S | * | . | | | trans | -125.8 | 22.2 | 176.1 | -60.2 | -173.3 | -179.3 | -177.9 | 0 | 112.4 | | |
| 440 | K | 89.9 | Confident | 86.5 | Confident | 111 Ų | 111 | 85.7 Ų | 85.7 | 48% | 0.483 | 46% | 0.46 | S | S | . | . | | | trans | -84.7 | 144 | -178.7 | -63.5 | -172.8 | -169.3 | 170.3 | 0 | 111.1 | C433 Y442 | C433-K440 WeakPolarHBondContact CB-O 3.48Å; C433-K440 PolarHBondContact N-O 2.89Å; K440-Y442 HydrophobicContact CB-CE2 3.67Å; K440-Y442 WeakPolarHBondContact CD-OH 3.42Å |
| 441 | V | 90.5 | Very high | 86.5 | Confident | 84 Ų | 84 | 81.7 Ų | 81.7 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 145.2 | -174.6 | -50.9 | 0 | 0 | 0 | 0 | 110.5 | I430 H431 H432 | I430-V441 HydrophobicContact CG2-CB 3.87Å; I430-V441 HydrophobicContact CG2-CG2 4.32Å; H431-V441 CarbonylContact O-C 3.39Å; H431-V441 WeakPolarHBondContact O-CA 3.41Å; H432-V441 WeakPolarHBondContact ND1-CG1 3.31Å |
| 442 | Y | 89.6 | Confident | 86.3 | Confident | 50 Ų | 50 | 82.5 Ų | 82.5 | 20% | 0.196 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 139.8 | -168.5 | -63.5 | -86.5 | 0 | 0 | 0 | 111.9 | H431 K440 K444 H447 L448 H451 | H431-Y442 WeakPolarHBondContact CB-O 3.24Å; H431-Y442 PolarHBondContact N-O 3.36Å; H431-Y442 PolarHBondContact O-N 3.07Å; K440-Y442 HydrophobicContact CB-CE2 3.67Å; K440-Y442 WeakPolarHBondContact CD-OH 3.42Å; Y442-K444 VanDerWaalsContact C-N 3.26Å; Y442-K444 PolarHBondContact O-N 3.34Å; Y442-H447 HydrophobicContact CD1-CB 3.54Å; Y442-H447 HydrophobicContact CE1-CB 4.32Å; Y442-H447 HydrophobicContact CG-CB 4.12Å; Y442-L448 HydrophobicContact CD2-CB 4.27Å; Y442-L448 HydrophobicContact CD2-CD1 4.18Å; Y442-L448 HydrophobicContact CG-CB 4.47Å; Y442-H451 HydrophobicContact CE1-CB 4.33Å; Y442-H451 HydrophobicContact CE2-CB 3.93Å; Y442-H451 AromaticContact CE2-CD2 3.26Å; Y442-H451 WeakPolarHBondContact CE2-CD2 3.39Å; Y442-H451 AromaticContact CE2-CG 3.79Å; Y442-H451 AromaticContact CZ-CD2 3.6Å; Y442-H451 AromaticContact CZ-CG 3.67Å; Y442-H451 PolarHBondContact OH-CD2 3.24Å; Y442-H451 VanDerWaalsContact OH-CD2 3.31Å |
| 443 | T | 88.6 | Confident | 85.9 | Confident | 96 Ų | 96 | 79.9 Ų | 79.9 | 59% | 0.589 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -86.1 | 6.5 | 176.5 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 444 | K | 86.1 | Confident | 85.4 | Confident | 114 Ų | 114 | 83.8 Ų | 83.8 | 50% | 0.496 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -147 | 135 | 178.9 | -64.1 | -172.2 | -178.5 | -177.7 | 0 | 110.8 | H431 Y442 S446 H447 L448 | H431-K444 VanDerWaalsContact CD2-C 3.46Å; Y442-K444 VanDerWaalsContact C-N 3.26Å; Y442-K444 PolarHBondContact O-N 3.34Å; K444-S446 VanDerWaalsContact C-N 3.28Å; K444-S446 PolarHBondContact O-N 3.38Å; K444-H447 HydrophobicContact CB-CB 4.39Å; K444-H447 PolarHBondContact O-N 2.83Å; K444-H447 VanDerWaalsContact O-N 3.11Å; K444-L448 PolarHBondContact O-N 2.84Å |
| 445 | S | 85.3 | Confident | 84.9 | Confident | 74 Ų | 74 | 79.1 Ų | 79.1 | 52% | 0.517 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -55.9 | -39.8 | 174.3 | 53.7 | 0 | 0 | 0 | 0 | 113 | H431 H447 L448 K449 | H431-S445 PolarHBondContact CD2-N 3.37Å; H431-S445 VanDerWaalsContact CD2-N 3.3Å; H431-S445 PolarHBondContact NE2-N 2.65Å; S445-H447 VanDerWaalsContact C-N 3.29Å; S445-H447 PolarHBondContact O-N 3.22Å; S445-L448 PolarHBondContact O-N 2.8Å; S445-K449 PolarHBondContact O-N 3.43Å |
| 446 | S | 84.8 | Confident | 84.2 | Confident | 73 Ų | 73 | 77.2 Ų | 77.2 | 51% | 0.51 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.4 | -32.8 | 177.8 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | K444 A450 | K444-S446 VanDerWaalsContact C-N 3.28Å; K444-S446 PolarHBondContact O-N 3.38Å; S446-A450 WeakPolarHBondContact O-CB 3.49Å; S446-A450 PolarHBondContact O-N 3.11Å |
| 447 | H | 87.4 | Confident | 82.7 | Confident | 92 Ų | 92 | 77.1 Ų | 77.1 | 43% | 0.426 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -75.1 | -36.6 | 175.9 | -65.6 | -166 | 0 | 0 | 0 | 111.3 | Y442 K444 S445 H451 | Y442-H447 HydrophobicContact CD1-CB 3.54Å; Y442-H447 HydrophobicContact CE1-CB 4.32Å; Y442-H447 HydrophobicContact CG-CB 4.12Å; K444-H447 HydrophobicContact CB-CB 4.39Å; K444-H447 PolarHBondContact O-N 2.83Å; K444-H447 VanDerWaalsContact O-N 3.11Å; S445-H447 VanDerWaalsContact C-N 3.29Å; S445-H447 PolarHBondContact O-N 3.22Å; H447-H451 WeakPolarHBondContact O-CB 3.41Å; H447-H451 PolarHBondContact O-N 3.36Å |
| 448 | L | 87.1 | Confident | 81.6 | Confident | 21 Ų | 21 | 76.1 Ų | 76.1 | 11% | 0.11 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.7 | -49.9 | 170.5 | 174.9 | 64.1 | 0 | 0 | 0 | 111 | H431 H432 C433 Y442 K444 S445 A450 H451 L452 | H431-L448 HydrophobicContact CB-CB 3.94Å; H431-L448 HydrophobicContact CB-CD2 3.88Å; H431-L448 HydrophobicContact CB-CG 4.47Å; H432-L448 VanDerWaalsContact O-CD1 3.31Å; H432-L448 WeakPolarHBondContact O-CD1 3.3Å; H432-L448 VanDerWaalsContact O-CD2 3.27Å; H432-L448 WeakPolarHBondContact O-CD2 3.23Å; C433-L448 HydrophobicContact CB-CD1 3.94Å; Y442-L448 HydrophobicContact CD2-CB 4.27Å; Y442-L448 HydrophobicContact CD2-CD1 4.18Å; Y442-L448 HydrophobicContact CG-CB 4.47Å; K444-L448 PolarHBondContact O-N 2.84Å; S445-L448 PolarHBondContact O-N 2.8Å; L448-A450 VanDerWaalsContact C-N 3.27Å; L448-A450 PolarHBondContact O-N 3.43Å; L448-H451 CarbonylContact O-C 3.58Å; L448-H451 WeakPolarHBondContact O-CA 3.24Å; L448-H451 WeakPolarHBondContact O-CB 3.48Å; L448-H451 PolarHBondContact O-N 3.16Å; L448-L452 HydrophobicContact CD1-CD1 4.27Å; L448-L452 HydrophobicContact CD1-CD2 4.34Å; L448-L452 HydrophobicContact CD1-CG 4.03Å; L448-L452 HydrophobicContact CG-CD1 4.03Å; L448-L452 HydrophobicContact CG-CG 4.26Å; L448-L452 WeakPolarHBondContact O-CG 3.49Å; L448-L452 PolarHBondContact O-N 3.3Å |
| 449 | K | 83.4 | Confident | 80.7 | Confident | 147 Ų | 147 | 79.3 Ų | 79.3 | 64% | 0.639 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60 | -37.3 | 179.4 | -168.8 | 169.5 | -174.8 | 173.5 | 0 | 112.1 | S445 | S445-K449 PolarHBondContact O-N 3.43Å |
| 450 | A | 81.8 | Confident | 80.2 | Confident | 24 Ų | 24 | 74.6 Ų | 74.6 | 20% | 0.198 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -69.8 | -29 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S446 L448 R475 | S446-A450 WeakPolarHBondContact O-CB 3.49Å; S446-A450 PolarHBondContact O-N 3.11Å; L448-A450 VanDerWaalsContact C-N 3.27Å; L448-A450 PolarHBondContact O-N 3.43Å; A450-R475 HydrophobicContact CB-CG 4.21Å |
| 451 | H | 84.4 | Confident | 79.6 | Confident | 10 Ų | 10 | 72.6 Ų | 72.6 | 5% | 0.046 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -77.8 | -36.6 | 174.3 | 170.5 | 36.2 | 0 | 0 | 0 | 113.1 | C433 C438 Y442 H447 L448 R453 T454 H455 | C433-H451 PolarHBondContact SG-NE2 2.79Å; C433-H451 VanDerWaalsContact SG-NE2 3.42Å; C438-H451 PolarHBondContact SG-NE2 2.96Å; Y442-H451 HydrophobicContact CE1-CB 4.33Å; Y442-H451 HydrophobicContact CE2-CB 3.93Å; Y442-H451 AromaticContact CE2-CD2 3.26Å; Y442-H451 WeakPolarHBondContact CE2-CD2 3.39Å; Y442-H451 AromaticContact CE2-CG 3.79Å; Y442-H451 AromaticContact CZ-CD2 3.6Å; Y442-H451 AromaticContact CZ-CG 3.67Å; Y442-H451 PolarHBondContact OH-CD2 3.24Å; Y442-H451 VanDerWaalsContact OH-CD2 3.31Å; H447-H451 WeakPolarHBondContact O-CB 3.41Å; H447-H451 PolarHBondContact O-N 3.36Å; L448-H451 CarbonylContact O-C 3.58Å; L448-H451 WeakPolarHBondContact O-CA 3.24Å; L448-H451 WeakPolarHBondContact O-CB 3.48Å; L448-H451 PolarHBondContact O-N 3.16Å; H451-R453 PolarHBondContact O-N 3.37Å; H451-R453 VanDerWaalsContact O-N 3.11Å; H451-T454 PolarHBondContact CE1-OG1 2.81Å; H451-T454 PolarHBondContact ND1-OG1 3.33Å; H451-T454 WeakPolarHBondContact O-CB 3.33Å; H451-T454 PolarHBondContact O-N 3.27Å; H451-T454 PolarHBondContact O-OG1 3.39Å; H451-H455 AromaticContact CE1-CD2 3.53Å; H451-H455 AromaticContact CE1-NE2 3.07Å; H451-H455 PolarHBondContact CE1-NE2 3.46Å; H451-H455 AromaticContact NE2-CD2 3.79Å; H451-H455 AromaticContact NE2-NE2 3.3Å; H451-H455 PolarHBondContact NE2-NE2 3.29Å |
| 452 | L | 82.8 | Confident | 79.2 | Confident | 62 Ų | 62 | 72.3 Ų | 72.3 | 33% | 0.325 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58 | -29 | 178.7 | -71.1 | 168.3 | 0 | 0 | 0 | 112 | L448 T454 H455 T456 | L448-L452 HydrophobicContact CD1-CD1 4.27Å; L448-L452 HydrophobicContact CD1-CD2 4.34Å; L448-L452 HydrophobicContact CD1-CG 4.03Å; L448-L452 HydrophobicContact CG-CD1 4.03Å; L448-L452 HydrophobicContact CG-CG 4.26Å; L448-L452 WeakPolarHBondContact O-CG 3.49Å; L448-L452 PolarHBondContact O-N 3.3Å; L452-T454 PolarHBondContact O-N 3.43Å; L452-T454 VanDerWaalsContact O-N 3.13Å; L452-H455 WeakPolarHBondContact O-CA 3.27Å; L452-H455 WeakPolarHBondContact O-CB 3.45Å; L452-H455 PolarHBondContact O-N 2.93Å; L452-T456 PolarHBondContact O-N 3.23Å; L452-T456 PolarHBondContact O-OG1 3.37Å |
| 453 | R | 79 | Confident | 79.1 | Confident | 52 Ų | 52 | 78.1 Ų | 78.1 | 20% | 0.196 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -10.4 | 169.2 | -61.4 | -177.8 | 176.1 | 149.1 | 2 | 115.7 | H451 E459 A474 | H451-R453 PolarHBondContact O-N 3.37Å; H451-R453 VanDerWaalsContact O-N 3.11Å; R453-E459 HydrophobicContact CB-CB 4.18Å; R453-E459 HydrophobicContact CG-CB 3.97Å; R453-E459 IonicContact NE-OE2 2.65Å; R453-A474 HydrophobicContact CB-CB 4.24Å; R453-A474 WeakPolarHBondContact CD-O 3.19Å; R453-A474 PolarHBondContact NH1-O 2.82Å |
| 454 | T | 77.3 | Confident | 79.3 | Confident | 91 Ų | 91 | 74 Ų | 74 | 56% | 0.558 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -4.6 | 169.5 | 75.3 | 0 | 0 | 0 | 0 | 112.6 | H451 L452 | H451-T454 PolarHBondContact CE1-OG1 2.81Å; H451-T454 PolarHBondContact ND1-OG1 3.33Å; H451-T454 WeakPolarHBondContact O-CB 3.33Å; H451-T454 PolarHBondContact O-N 3.27Å; H451-T454 PolarHBondContact O-OG1 3.39Å; L452-T454 PolarHBondContact O-N 3.43Å; L452-T454 VanDerWaalsContact O-N 3.13Å |
| 455 | H | 77.4 | Confident | 79.3 | Confident | 42 Ų | 42 | 73.1 Ų | 73.1 | 19% | 0.194 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | -42.2 | 176.1 | -68.8 | -56.9 | 0 | 0 | 0 | 111.5 | Y435 C438 H451 L452 A457 | Y435-H455 HydrophobicContact CD1-CB 4.06Å; Y435-H455 AromaticContact CD1-CE1 3.52Å; Y435-H455 AromaticContact CD1-CG 3.56Å; Y435-H455 AromaticContact CD1-ND1 3.19Å; Y435-H455 WeakPolarHBondContact CD1-ND1 3.35Å; Y435-H455 HydrophobicContact CD2-CB 3.55Å; Y435-H455 AromaticContact CD2-CG 3.92Å; Y435-H455 HydrophobicContact CE1-CB 4.24Å; Y435-H455 AromaticContact CE1-ND1 3.43Å; Y435-H455 WeakPolarHBondContact CE1-ND1 3.43Å; Y435-H455 HydrophobicContact CE2-CB 3.75Å; Y435-H455 HydrophobicContact CG-CB 3.7Å; Y435-H455 AromaticContact CG-CD2 3.86Å; Y435-H455 AromaticContact CG-CG 3.49Å; Y435-H455 VanDerWaalsContact CG-CG 3.49Å; Y435-H455 AromaticContact CG-ND1 3.66Å; C438-H455 WeakPolarHBondContact CB-NE2 3.28Å; C438-H455 PolarHBondContact SG-NE2 3.47Å; H451-H455 AromaticContact CE1-CD2 3.53Å; H451-H455 AromaticContact CE1-NE2 3.07Å; H451-H455 PolarHBondContact CE1-NE2 3.46Å; H451-H455 AromaticContact NE2-CD2 3.79Å; H451-H455 AromaticContact NE2-NE2 3.3Å; H451-H455 PolarHBondContact NE2-NE2 3.29Å; L452-H455 WeakPolarHBondContact O-CA 3.27Å; L452-H455 WeakPolarHBondContact O-CB 3.45Å; L452-H455 PolarHBondContact O-N 2.93Å; H455-A457 PolarHBondContact O-N 3.21Å |
| 456 | T | 69.4 | Low | 79.4 | Confident | 70 Ų | 70 | 74.7 Ų | 74.7 | 43% | 0.429 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -70.5 | 94.3 | 166.6 | -40.6 | 0 | 0 | 0 | 0 | 109.1 | L452 G458 E459 | L452-T456 PolarHBondContact O-N 3.23Å; L452-T456 PolarHBondContact O-OG1 3.37Å; T456-G458 PolarHBondContact O-N 3.33Å; T456-G458 VanDerWaalsContact O-N 3.09Å; T456-E459 HydrophobicContact CG2-CG 4.07Å; T456-E459 WeakPolarHBondContact CG2-OE1 3.38Å; T456-E459 PolarHBondContact O-N 3.5Å |
| 457 | A | 53.6 | Low | 79.3 | Confident | 104 Ų | 104 | 79.4 Ų | 79.4 | 86% | 0.86 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 114 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H455 | H455-A457 PolarHBondContact O-N 3.21Š|
| 458 | G | 60.4 | Low | 79.2 | Confident | 61 Ų | 61 | 79.8 Ų | 79.8 | 63% | 0.629 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.8 | -6.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | T456 K460 | T456-G458 PolarHBondContact O-N 3.33Å; T456-G458 VanDerWaalsContact O-N 3.09Å; G458-K460 VanDerWaalsContact C-N 3.25Å; G458-K460 PolarHBondContact O-N 3.48Å |
| 459 | E | 67.7 | Low | 79.3 | Confident | 91 Ų | 91 | 79.4 Ų | 79.4 | 43% | 0.425 | 43% | 0.433 | S | S | . | . | | | trans | -68.3 | 77.8 | 177.9 | -94 | -162.2 | -129 | 0 | 0 | 113.2 | R453 T456 P461 | R453-E459 HydrophobicContact CB-CB 4.18Å; R453-E459 HydrophobicContact CG-CB 3.97Å; R453-E459 IonicContact NE-OE2 2.65Å; T456-E459 HydrophobicContact CG2-CG 4.07Å; T456-E459 WeakPolarHBondContact CG2-OE1 3.38Å; T456-E459 PolarHBondContact O-N 3.5Å; E459-P461 VanDerWaalsContact C-CD 3.47Å; E459-P461 VanDerWaalsContact O-CD 3.3Å; E459-P461 WeakPolarHBondContact O-CD 3.32Å |
| 460 | K | 77.8 | Confident | 79.4 | Confident | 98 Ų | 98 | 79.8 Ų | 79.8 | 43% | 0.426 | 44% | 0.442 | S | S | . | . | | | trans | -117.6 | 77.4 | 176.6 | -67.3 | 171.8 | 153.4 | -146.8 | 0 | 109.7 | G458 Y462 R472 F473 | G458-K460 VanDerWaalsContact C-N 3.25Å; G458-K460 PolarHBondContact O-N 3.48Å; K460-Y462 VanDerWaalsContact C-N 3.28Å; K460-Y462 PolarHBondContact O-N 2.87Å; K460-R472 HydrophobicContact CB-CB 3.63Å; K460-R472 HydrophobicContact CD-CB 4.07Å; K460-R472 VanDerWaalsContact CD-O 3.28Å; K460-R472 WeakPolarHBondContact CD-O 3.47Å; K460-R472 VanDerWaalsContact CE-O 3.3Å; K460-R472 WeakPolarHBondContact CE-O 3.44Å; K460-R472 HydrophobicContact CG-CB 4.47Å; K460-R472 PolarHBondContact NZ-O 3.43Å; K460-R472 PolarHBondContact O-NE 3.06Å; K460-R472 PolarHBondContact O-NH2 3.31Å; K460-F473 CarbonylContact C-O 3.54Å; K460-F473 VanDerWaalsContact CA-O 3.24Å; K460-F473 WeakPolarHBondContact CA-O 3.41Å |
| 461 | P | 77.5 | Confident | 79.6 | Confident | 69 Ų | 69 | 86.2 Ų | 86.2 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | | | trans | -69.3 | -25.5 | -177.3 | 27.3 | -34.1 | 0 | 0 | 0 | 112.8 | E459 R463 | E459-P461 VanDerWaalsContact C-CD 3.47Å; E459-P461 VanDerWaalsContact O-CD 3.3Å; E459-P461 WeakPolarHBondContact O-CD 3.32Å; P461-R463 PolarHBondContact O-N 2.85Å |
| 462 | Y | 82.6 | Confident | 79.8 | Confident | 78 Ų | 78 | 92 Ų | 92 | 31% | 0.306 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 89.9 | -176.9 | -55.1 | -71.7 | 0 | 0 | 0 | 110.6 | K460 R472 F473 A474 | K460-Y462 VanDerWaalsContact C-N 3.28Å; K460-Y462 PolarHBondContact O-N 2.87Å; Y462-R472 CarbonylContact O-C 3.58Å; Y462-R472 WeakPolarHBondContact O-CA 3.28Å; Y462-F473 PolarHBondContact N-O 3.46Å; Y462-F473 PolarHBondContact O-N 2.93Å; Y462-A474 WeakPolarHBondContact CE2-O 3.43Å |
| 463 | R | 87.6 | Confident | 79.9 | Confident | 171 Ų | 171 | 90.3 Ų | 90.3 | 65% | 0.645 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 148.4 | 169.5 | 68 | 175.6 | 176.4 | -172.1 | -1.4 | 111.4 | P461 R472 L479 | P461-R463 PolarHBondContact O-N 2.85Å; R463-R472 HydrophobicContact CB-CG 3.99Å; R463-L479 WeakPolarHBondContact O-CD1 3.27Å; R463-L479 VanDerWaalsContact O-CD2 3.31Å; R463-L479 WeakPolarHBondContact O-CD2 3.31Å |
| 464 | C | 91.9 | Very high | 80.1 | Confident | 9 Ų | 9 | 88.7 Ų | 88.7 | 6% | 0.061 | 47% | 0.47 | C | S | . | . | | | trans | -71.3 | 155.6 | 157.7 | -161.3 | 0 | 0 | 0 | 0 | 110 | C469 W471 L479 H486 | C464-C469 WeakPolarHBondContact CB-O 3.21Å; C464-W471 PolarHBondContact N-O 2.79Å; C464-L479 HydrophobicContact CB-CD1 4.06Å; C464-H486 PolarHBondContact SG-NE2 3.34Å |
| 465 | T | 87.3 | Confident | 80.4 | Confident | 97 Ų | 97 | 88.4 Ų | 88.4 | 60% | 0.595 | 46% | 0.459 | S | S | * | . | | | trans | -124.1 | 30.9 | 178 | 70.9 | 0 | 0 | 0 | 0 | 110.4 | Y483 | T465-Y483 WeakPolarHBondContact CB-OH 3.32Å; T465-Y483 WeakPolarHBondContact CG2-OH 3.2Å; T465-Y483 PolarHBondContact N-OH 3.36Å; T465-Y483 PolarHBondContact OG1-OH 3.25Å |
| 466 | W | 86.8 | Confident | 80.8 | Confident | 107 Ų | 107 | 89.5 Ų | 89.5 | 41% | 0.405 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -96.4 | 130.9 | 173.9 | -165.5 | -84.6 | 0 | 0 | 0 | 107.5 | S468 C469 H486 T487 | W466-S468 PolarHBondContact O-N 2.94Å; W466-C469 HydrophobicContact CB-CB 4.14Å; W466-C469 PolarHBondContact O-N 3.3Å; W466-H486 HydrophobicContact CD2-CB 3.55Å; W466-H486 AromaticContact CD2-CD2 3.97Å; W466-H486 AromaticContact CD2-CG 3.71Å; W466-H486 HydrophobicContact CE3-CB 3.55Å; W466-H486 HydrophobicContact CG-CB 4.17Å; W466-H486 AromaticContact CG-CD2 3.73Å; W466-H486 AromaticContact CG-CG 3.77Å; W466-H486 HydrophobicContact CH2-CB 3.93Å; W466-H486 HydrophobicContact CZ2-CB 3.94Å; W466-H486 HydrophobicContact CZ3-CB 3.74Å; W466-T487 HydrophobicContact CZ3-CG2 4.13Å |
| 467 | D | 83.2 | Confident | 81.6 | Confident | 171 Ų | 171 | 89.7 Ų | 89.7 | 91% | 0.914 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.4 | -159.6 | -53.1 | -49.4 | 0 | 0 | 0 | 115.1 | | |
| 468 | S | 84.3 | Confident | 83.2 | Confident | 100 Ų | 100 | 86.7 Ų | 86.7 | 70% | 0.699 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | 21.9 | 176.4 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | W466 | W466-S468 PolarHBondContact O-N 2.94Š|
| 469 | C | 89.5 | Confident | 84.6 | Confident | 13 Ų | 13 | 84.9 Ų | 84.9 | 9% | 0.088 | 41% | 0.414 | C | S | . | . | | | trans | -143.9 | 90.6 | -171.5 | -153.4 | 0 | 0 | 0 | 0 | 116.5 | C464 W466 W471 H482 H486 | C464-C469 WeakPolarHBondContact CB-O 3.21Å; W466-C469 HydrophobicContact CB-CB 4.14Å; W466-C469 PolarHBondContact O-N 3.3Å; C469-W471 PolarHBondContact O-N 2.8Å; C469-W471 VanDerWaalsContact SG-CD1 3.57Å; C469-H482 PolarHBondContact SG-CE1 3.06Å; C469-H482 PolarHBondContact SG-NE2 3.22Å; C469-H482 VanDerWaalsContact SG-NE2 3.42Å; C469-H486 WeakPolarHBondContact CB-CE1 3.43Å; C469-H486 WeakPolarHBondContact CB-NE2 3.49Å; C469-H486 PolarHBondContact SG-CE1 2.98Å; C469-H486 PolarHBondContact SG-NE2 3.04Å |
| 470 | D | 85.4 | Confident | 85.6 | Confident | 155 Ų | 155 | 84.1 Ų | 84.1 | 83% | 0.829 | 42% | 0.416 | S | S | * | . | | | trans | -73.4 | 20.8 | 173.8 | -57.1 | -74.5 | 0 | 0 | 0 | 115.4 | R472 | D470-R472 PolarHBondContact O-N 3.4Š|
| 471 | W | 86.8 | Confident | 86.1 | Confident | 160 Ų | 160 | 84.6 Ų | 84.6 | 61% | 0.606 | 42% | 0.415 | S | S | * | . | | | trans | -71.5 | 118.5 | -176.9 | -86.6 | 64.8 | 0 | 0 | 0 | 111.8 | C464 C469 F473 H482 | C464-W471 PolarHBondContact N-O 2.79Å; C469-W471 PolarHBondContact O-N 2.8Å; C469-W471 VanDerWaalsContact SG-CD1 3.57Å; W471-F473 HydrophobicContact CB-CE2 3.79Å; W471-F473 HydrophobicContact CB-CZ 3.86Å; W471-F473 HydrophobicContact CD2-CZ 4.43Å; W471-F473 AromaticContact CE3-CE1 3.99Å; W471-F473 HydrophobicContact CE3-CE1 3.99Å; W471-F473 AromaticContact CE3-CZ 3.75Å; W471-F473 HydrophobicContact CE3-CZ 3.75Å; W471-F473 WeakPolarHBondContact O-CE2 3.15Å; W471-H482 AromaticContact CG-CE1 3.91Å |
| 472 | R | 88 | Confident | 86.7 | Confident | 132 Ų | 132 | 82 Ų | 82 | 50% | 0.498 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 140 | 178.1 | -56.2 | 178.5 | 63.7 | 160.1 | 0.9 | 112.1 | K460 Y462 R463 D470 | K460-R472 HydrophobicContact CB-CB 3.63Å; K460-R472 HydrophobicContact CD-CB 4.07Å; K460-R472 VanDerWaalsContact CD-O 3.28Å; K460-R472 WeakPolarHBondContact CD-O 3.47Å; K460-R472 VanDerWaalsContact CE-O 3.3Å; K460-R472 WeakPolarHBondContact CE-O 3.44Å; K460-R472 HydrophobicContact CG-CB 4.47Å; K460-R472 PolarHBondContact NZ-O 3.43Å; K460-R472 PolarHBondContact O-NE 3.06Å; K460-R472 PolarHBondContact O-NH2 3.31Å; Y462-R472 CarbonylContact O-C 3.58Å; Y462-R472 WeakPolarHBondContact O-CA 3.28Å; R463-R472 HydrophobicContact CB-CG 3.99Å; D470-R472 PolarHBondContact O-N 3.4Å |
| 473 | F | 85.1 | Confident | 87 | Confident | 26 Ų | 26 | 81 Ų | 81 | 11% | 0.114 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 155.1 | -172.6 | -58.8 | -85 | 0 | 0 | 0 | 112.8 | K460 Y462 W471 E478 L479 H482 | K460-F473 CarbonylContact C-O 3.54Å; K460-F473 VanDerWaalsContact CA-O 3.24Å; K460-F473 WeakPolarHBondContact CA-O 3.41Å; Y462-F473 PolarHBondContact N-O 3.46Å; Y462-F473 PolarHBondContact O-N 2.93Å; W471-F473 HydrophobicContact CB-CE2 3.79Å; W471-F473 HydrophobicContact CB-CZ 3.86Å; W471-F473 HydrophobicContact CD2-CZ 4.43Å; W471-F473 AromaticContact CE3-CE1 3.99Å; W471-F473 HydrophobicContact CE3-CE1 3.99Å; W471-F473 AromaticContact CE3-CZ 3.75Å; W471-F473 HydrophobicContact CE3-CZ 3.75Å; W471-F473 WeakPolarHBondContact O-CE2 3.15Å; F473-E478 HydrophobicContact CB-CB 4.04Å; F473-E478 HydrophobicContact CD1-CB 3.81Å; F473-E478 HydrophobicContact CG-CB 4.13Å; F473-L479 HydrophobicContact CB-CB 4.46Å; F473-L479 HydrophobicContact CD2-CB 4.03Å; F473-L479 HydrophobicContact CD2-CD1 3.83Å; F473-L479 HydrophobicContact CE2-CD1 4.07Å; F473-L479 HydrophobicContact CG-CB 4.44Å; F473-H482 HydrophobicContact CE1-CB 4.17Å; F473-H482 HydrophobicContact CE2-CB 3.72Å; F473-H482 AromaticContact CE2-CD2 3.64Å; F473-H482 AromaticContact CE2-CG 3.54Å; F473-H482 HydrophobicContact CZ-CB 3.46Å; F473-H482 VanDerWaalsContact CZ-CB 3.46Å; F473-H482 AromaticContact CZ-CD2 3.91Å; F473-H482 AromaticContact CZ-CG 3.35Å; F473-H482 AromaticContact CZ-ND1 3.5Å; F473-H482 WeakPolarHBondContact CZ-ND1 3.43Å |
| 474 | A | 83.4 | Confident | 87.1 | Confident | 18 Ų | 18 | 76.4 Ų | 76.4 | 15% | 0.149 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -87.9 | -17.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | R453 Y462 | R453-A474 HydrophobicContact CB-CB 4.24Å; R453-A474 WeakPolarHBondContact CD-O 3.19Å; R453-A474 PolarHBondContact NH1-O 2.82Å; Y462-A474 WeakPolarHBondContact CE2-O 3.43Å |
| 475 | R | 81.8 | Confident | 86.8 | Confident | 84 Ų | 84 | 83.8 Ų | 83.8 | 32% | 0.317 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -135.5 | 150.5 | 179.6 | -49.7 | -172.5 | -59 | 109.7 | 14 | 111.7 | A450 D477 E478 L479 | A450-R475 HydrophobicContact CB-CG 4.21Å; R475-D477 WeakPolarHBondContact CB-OD1 3.4Å; R475-D477 IonicContact CZ-OD1 3.26Å; R475-D477 IonicContact CZ-OD2 2.79Å; R475-D477 IonicContact NE-OD1 2.84Å; R475-D477 IonicContact NH1-OD1 3.47Å; R475-D477 PolarHBondContact NH1-OD1 2.99Å; R475-D477 IonicContact NH1-OD2 2.8Å; R475-D477 PolarHBondContact NH1-OD2 3.12Å; R475-D477 IonicContact NH2-OD1 2.82Å; R475-D477 PolarHBondContact NH2-OD1 3.48Å; R475-D477 IonicContact NH2-OD2 3.15Å; R475-D477 PolarHBondContact NH2-OD2 3.14Å; R475-E478 HydrophobicContact CB-CG 4.14Å; R475-E478 IonicContact CZ-OE1 3.4Å; R475-E478 PolarHBondContact N-OE2 3.48Å; R475-E478 IonicContact NE-OE1 3.69Å; R475-E478 PolarHBondContact NE-OE1 2.98Å; R475-E478 VanDerWaalsContact NH2-CG 3.31Å; R475-E478 IonicContact NH2-OE1 3.86Å; R475-E478 PolarHBondContact NH2-OE1 2.89Å; R475-E478 WeakPolarHBondContact O-CB 3.38Å; R475-E478 PolarHBondContact O-N 3.41Å; R475-L479 PolarHBondContact O-N 2.89Å |
| 476 | S | 86.1 | Confident | 86.9 | Confident | 65 Ų | 65 | 82 Ų | 82 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.8 | -36.8 | -175.8 | 47.4 | 0 | 0 | 0 | 0 | 113.4 | E478 L479 T480 | S476-E478 PolarHBondContact O-N 3.31Å; S476-L479 WeakPolarHBondContact O-CB 3.49Å; S476-L479 PolarHBondContact O-N 3.34Å; S476-L479 VanDerWaalsContact O-N 3.14Å; S476-T480 PolarHBondContact O-N 3.1Å; S476-T480 PolarHBondContact O-OG1 3.26Å; S476-T480 VanDerWaalsContact O-OG1 3.12Å |
| 477 | D | 85.9 | Confident | 86.8 | Confident | 75 Ų | 75 | 80.8 Ų | 80.8 | 40% | 0.401 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.1 | -27.9 | 175.6 | 64.1 | -53.4 | 0 | 0 | 0 | 112.7 | R475 R481 | R475-D477 WeakPolarHBondContact CB-OD1 3.4Å; R475-D477 IonicContact CZ-OD1 3.26Å; R475-D477 IonicContact CZ-OD2 2.79Å; R475-D477 IonicContact NE-OD1 2.84Å; R475-D477 IonicContact NH1-OD1 3.47Å; R475-D477 PolarHBondContact NH1-OD1 2.99Å; R475-D477 IonicContact NH1-OD2 2.8Å; R475-D477 PolarHBondContact NH1-OD2 3.12Å; R475-D477 IonicContact NH2-OD1 2.82Å; R475-D477 PolarHBondContact NH2-OD1 3.48Å; R475-D477 IonicContact NH2-OD2 3.15Å; R475-D477 PolarHBondContact NH2-OD2 3.14Å; D477-R481 WeakPolarHBondContact O-CB 3.26Å; D477-R481 PolarHBondContact O-N 2.86Å |
| 478 | E | 87.6 | Confident | 87 | Confident | 41 Ų | 41 | 74.5 Ų | 74.5 | 19% | 0.192 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.8 | -41.4 | 173.7 | -62.5 | 170.7 | 173.1 | 0 | 0 | 111.2 | F473 R475 S476 R481 H482 | F473-E478 HydrophobicContact CB-CB 4.04Å; F473-E478 HydrophobicContact CD1-CB 3.81Å; F473-E478 HydrophobicContact CG-CB 4.13Å; R475-E478 HydrophobicContact CB-CG 4.14Å; R475-E478 IonicContact CZ-OE1 3.4Å; R475-E478 PolarHBondContact N-OE2 3.48Å; R475-E478 IonicContact NE-OE1 3.69Å; R475-E478 PolarHBondContact NE-OE1 2.98Å; R475-E478 VanDerWaalsContact NH2-CG 3.31Å; R475-E478 IonicContact NH2-OE1 3.86Å; R475-E478 PolarHBondContact NH2-OE1 2.89Å; R475-E478 WeakPolarHBondContact O-CB 3.38Å; R475-E478 PolarHBondContact O-N 3.41Å; S476-E478 PolarHBondContact O-N 3.31Å; E478-R481 PolarHBondContact O-N 3.35Å; E478-H482 WeakPolarHBondContact O-CB 3.39Å; E478-H482 PolarHBondContact O-N 2.99Å |
| 479 | L | 90.8 | Very high | 87.2 | Confident | 22 Ų | 22 | 71.7 Ų | 71.7 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.4 | -48.9 | 173.4 | 176.6 | 62.5 | 0 | 0 | 0 | 111.1 | R463 C464 F473 R475 S476 R481 H482 Y483 | R463-L479 WeakPolarHBondContact O-CD1 3.27Å; R463-L479 VanDerWaalsContact O-CD2 3.31Å; R463-L479 WeakPolarHBondContact O-CD2 3.31Å; C464-L479 HydrophobicContact CB-CD1 4.06Å; F473-L479 HydrophobicContact CB-CB 4.46Å; F473-L479 HydrophobicContact CD2-CB 4.03Å; F473-L479 HydrophobicContact CD2-CD1 3.83Å; F473-L479 HydrophobicContact CE2-CD1 4.07Å; F473-L479 HydrophobicContact CG-CB 4.44Å; R475-L479 PolarHBondContact O-N 2.89Å; S476-L479 WeakPolarHBondContact O-CB 3.49Å; S476-L479 PolarHBondContact O-N 3.34Å; S476-L479 VanDerWaalsContact O-N 3.14Å; L479-R481 VanDerWaalsContact C-N 3.3Å; L479-R481 PolarHBondContact O-N 3.15Å; L479-H482 CarbonylContact O-C 3.51Å; L479-H482 WeakPolarHBondContact O-CA 3.44Å; L479-H482 WeakPolarHBondContact O-CB 3.47Å; L479-H482 PolarHBondContact O-N 2.96Å; L479-Y483 HydrophobicContact CD1-CD2 3.8Å; L479-Y483 HydrophobicContact CD1-CE2 3.47Å; L479-Y483 VanDerWaalsContact CD1-CE2 3.47Å; L479-Y483 HydrophobicContact CD2-CE2 3.99Å; L479-Y483 HydrophobicContact CG-CD2 3.84Å; L479-Y483 HydrophobicContact CG-CE2 3.59Å; L479-Y483 WeakPolarHBondContact O-CD2 3.48Å; L479-Y483 PolarHBondContact O-N 3.33Å |
| 480 | T | 88.8 | Confident | 87.1 | Confident | 76 Ų | 76 | 77.3 Ų | 77.3 | 47% | 0.466 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.1 | -40.9 | 176.3 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | S476 H482 Y483 R484 | S476-T480 PolarHBondContact O-N 3.1Å; S476-T480 PolarHBondContact O-OG1 3.26Å; S476-T480 VanDerWaalsContact O-OG1 3.12Å; T480-H482 VanDerWaalsContact C-N 3.29Å; T480-H482 PolarHBondContact O-N 3.35Å; T480-Y483 PolarHBondContact O-N 3.11Å; T480-R484 PolarHBondContact O-N 3.45Å |
| 481 | R | 87.5 | Confident | 87.2 | Confident | 107 Ų | 107 | 73.7 Ų | 73.7 | 40% | 0.404 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.4 | -30.1 | 174.3 | -178.8 | -179.1 | 64 | -179.2 | -2.3 | 112.6 | D477 E478 L479 R503 | D477-R481 WeakPolarHBondContact O-CB 3.26Å; D477-R481 PolarHBondContact O-N 2.86Å; E478-R481 PolarHBondContact O-N 3.35Å; L479-R481 VanDerWaalsContact C-N 3.3Å; L479-R481 PolarHBondContact O-N 3.15Å; R481-R503 HydrophobicContact CG-CG 4.17Å |
| 482 | H | 90.7 | Very high | 87.3 | Confident | 14 Ų | 14 | 69.1 Ų | 69.1 | 7% | 0.065 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -74 | -43.9 | 174.8 | 169 | 85.1 | 0 | 0 | 0 | 112.1 | C469 W471 F473 E478 L479 T480 R484 K485 H486 | C469-H482 PolarHBondContact SG-CE1 3.06Å; C469-H482 PolarHBondContact SG-NE2 3.22Å; C469-H482 VanDerWaalsContact SG-NE2 3.42Å; W471-H482 AromaticContact CG-CE1 3.91Å; F473-H482 HydrophobicContact CE1-CB 4.17Å; F473-H482 HydrophobicContact CE2-CB 3.72Å; F473-H482 AromaticContact CE2-CD2 3.64Å; F473-H482 AromaticContact CE2-CG 3.54Å; F473-H482 HydrophobicContact CZ-CB 3.46Å; F473-H482 VanDerWaalsContact CZ-CB 3.46Å; F473-H482 AromaticContact CZ-CD2 3.91Å; F473-H482 AromaticContact CZ-CG 3.35Å; F473-H482 AromaticContact CZ-ND1 3.5Å; F473-H482 WeakPolarHBondContact CZ-ND1 3.43Å; E478-H482 WeakPolarHBondContact O-CB 3.39Å; E478-H482 PolarHBondContact O-N 2.99Å; L479-H482 CarbonylContact O-C 3.51Å; L479-H482 WeakPolarHBondContact O-CA 3.44Å; L479-H482 WeakPolarHBondContact O-CB 3.47Å; L479-H482 PolarHBondContact O-N 2.96Å; T480-H482 VanDerWaalsContact C-N 3.29Å; T480-H482 PolarHBondContact O-N 3.35Å; H482-R484 PolarHBondContact O-N 3.25Å; H482-R484 VanDerWaalsContact O-N 3.15Å; H482-K485 VanDerWaalsContact O-CB 3.23Å; H482-K485 WeakPolarHBondContact O-CB 3.36Å; H482-K485 WeakPolarHBondContact O-CG 3.38Å; H482-K485 PolarHBondContact O-N 3.07Å; H482-H486 AromaticContact CD2-NE2 3.28Å; H482-H486 PolarHBondContact CD2-NE2 3.34Å; H482-H486 VanDerWaalsContact CD2-NE2 3.28Å; H482-H486 AromaticContact CE1-NE2 3.17Å; H482-H486 PolarHBondContact CE1-NE2 3.13Å; H482-H486 AromaticContact NE2-CD2 3.89Å; H482-H486 AromaticContact NE2-NE2 2.38Å; H482-H486 PolarHBondContact NE2-NE2 2.98Å |
| 483 | Y | 88.9 | Confident | 87.5 | Confident | 59 Ų | 59 | 68.4 Ų | 68.4 | 23% | 0.231 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -55.1 | -33.6 | 175.5 | -87.3 | -77.8 | 0 | 0 | 0 | 113.3 | T465 L479 T480 K485 H486 T487 | T465-Y483 WeakPolarHBondContact CB-OH 3.32Å; T465-Y483 WeakPolarHBondContact CG2-OH 3.2Å; T465-Y483 PolarHBondContact N-OH 3.36Å; T465-Y483 PolarHBondContact OG1-OH 3.25Å; L479-Y483 HydrophobicContact CD1-CD2 3.8Å; L479-Y483 HydrophobicContact CD1-CE2 3.47Å; L479-Y483 VanDerWaalsContact CD1-CE2 3.47Å; L479-Y483 HydrophobicContact CD2-CE2 3.99Å; L479-Y483 HydrophobicContact CG-CD2 3.84Å; L479-Y483 HydrophobicContact CG-CE2 3.59Å; L479-Y483 WeakPolarHBondContact O-CD2 3.48Å; L479-Y483 PolarHBondContact O-N 3.33Å; T480-Y483 PolarHBondContact O-N 3.11Å; Y483-K485 PolarHBondContact O-N 3.42Å; Y483-K485 VanDerWaalsContact O-N 3.1Å; Y483-H486 PolarHBondContact O-N 2.95Å; Y483-T487 PolarHBondContact O-N 3.32Å; Y483-T487 PolarHBondContact O-OG1 2.88Å |
| 484 | R | 89.7 | Confident | 87.9 | Confident | 74 Ų | 74 | 67.2 Ų | 67.2 | 28% | 0.279 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.3 | -10.8 | 174.1 | -65.5 | -175.7 | -174.6 | 159.4 | 3.7 | 114.5 | T480 H482 G488 A489 S502 | T480-R484 PolarHBondContact O-N 3.45Å; H482-R484 PolarHBondContact O-N 3.25Å; H482-R484 VanDerWaalsContact O-N 3.15Å; R484-G488 CarbonylContact O-C 3.23Å; R484-G488 WeakPolarHBondContact O-CA 3.45Å; R484-G488 PolarHBondContact O-N 3.25Å; R484-A489 HydrophobicContact CG-CB 4.3Å; R484-A489 PolarHBondContact O-N 3.3Å; R484-S502 WeakPolarHBondContact CD-O 3.05Å; R484-S502 PolarHBondContact NH1-O 3.37Å |
| 485 | K | 86.3 | Confident | 88.2 | Confident | 163 Ų | 163 | 72.7 Ų | 72.7 | 71% | 0.709 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -76.4 | -43 | 167.3 | -63.8 | -172.2 | 171.7 | -165.8 | 0 | 111.4 | H482 Y483 | H482-K485 VanDerWaalsContact O-CB 3.23Å; H482-K485 WeakPolarHBondContact O-CB 3.36Å; H482-K485 WeakPolarHBondContact O-CG 3.38Å; H482-K485 PolarHBondContact O-N 3.07Å; Y483-K485 PolarHBondContact O-N 3.42Å; Y483-K485 VanDerWaalsContact O-N 3.1Å |
| 486 | H | 87.5 | Confident | 88.6 | Confident | 60 Ų | 60 | 73 Ų | 73 | 28% | 0.278 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -72.8 | -47.8 | -179.1 | -59.9 | -44.5 | 0 | 0 | 0 | 111.8 | C464 W466 C469 H482 Y483 G488 | C464-H486 PolarHBondContact SG-NE2 3.34Å; W466-H486 HydrophobicContact CD2-CB 3.55Å; W466-H486 AromaticContact CD2-CD2 3.97Å; W466-H486 AromaticContact CD2-CG 3.71Å; W466-H486 HydrophobicContact CE3-CB 3.55Å; W466-H486 HydrophobicContact CG-CB 4.17Å; W466-H486 AromaticContact CG-CD2 3.73Å; W466-H486 AromaticContact CG-CG 3.77Å; W466-H486 HydrophobicContact CH2-CB 3.93Å; W466-H486 HydrophobicContact CZ2-CB 3.94Å; W466-H486 HydrophobicContact CZ3-CB 3.74Å; C469-H486 WeakPolarHBondContact CB-CE1 3.43Å; C469-H486 WeakPolarHBondContact CB-NE2 3.49Å; C469-H486 PolarHBondContact SG-CE1 2.98Å; C469-H486 PolarHBondContact SG-NE2 3.04Å; H482-H486 AromaticContact CD2-NE2 3.28Å; H482-H486 PolarHBondContact CD2-NE2 3.34Å; H482-H486 VanDerWaalsContact CD2-NE2 3.28Å; H482-H486 AromaticContact CE1-NE2 3.17Å; H482-H486 PolarHBondContact CE1-NE2 3.13Å; H482-H486 AromaticContact NE2-CD2 3.89Å; H482-H486 AromaticContact NE2-NE2 2.38Å; H482-H486 PolarHBondContact NE2-NE2 2.98Å; Y483-H486 PolarHBondContact O-N 2.95Å; H486-G488 PolarHBondContact O-N 2.79Å |
| 487 | T | 86.5 | Confident | 88.8 | Confident | 82 Ų | 82 | 72 Ų | 72 | 50% | 0.503 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -80.9 | -1.1 | 179.2 | 62.4 | 0 | 0 | 0 | 0 | 114 | W466 Y483 A489 | W466-T487 HydrophobicContact CZ3-CG2 4.13Å; Y483-T487 PolarHBondContact O-N 3.32Å; Y483-T487 PolarHBondContact O-OG1 2.88Å; T487-A489 PolarHBondContact O-N 3.13Å; T487-A489 WeakPolarHBondContact OG1-CB 3.23Å |
| 488 | G | 87.3 | Confident | 89 | Confident | 39 Ų | 39 | 72.5 Ų | 72.5 | 40% | 0.402 | 39% | 0.388 | S | S | . | . | | | trans | 60.4 | 4 | -174 | 0 | 0 | 0 | 0 | 0 | 115.7 | R484 H486 K490 | R484-G488 CarbonylContact O-C 3.23Å; R484-G488 WeakPolarHBondContact O-CA 3.45Å; R484-G488 PolarHBondContact O-N 3.25Å; H486-G488 PolarHBondContact O-N 2.79Å; G488-K490 WeakPolarHBondContact O-CG 3.45Å; G488-K490 PolarHBondContact O-N 3.11Å |
| 489 | A | 87.3 | Confident | 89.1 | Confident | 40 Ų | 40 | 78.3 Ų | 78.3 | 33% | 0.331 | 41% | 0.408 | S | S | . | . | | | trans | -65.2 | 123.3 | -162.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R484 T487 P491 S502 | R484-A489 HydrophobicContact CG-CB 4.3Å; R484-A489 PolarHBondContact O-N 3.3Å; T487-A489 PolarHBondContact O-N 3.13Å; T487-A489 WeakPolarHBondContact OG1-CB 3.23Å; A489-P491 VanDerWaalsContact O-CD 3.32Å; A489-P491 WeakPolarHBondContact O-CD 3.37Å; A489-S502 WeakPolarHBondContact O-CB 3.45Å |
| 490 | K | 87.9 | Confident | 89.1 | Confident | 131 Ų | 131 | 79.4 Ų | 79.4 | 57% | 0.57 | 42% | 0.418 | S | S | * | . | | | trans | -121.2 | 72.1 | -174.5 | -71.5 | 153.4 | -179.6 | 172.3 | 0 | 111.9 | G488 F492 S500 F501 | G488-K490 WeakPolarHBondContact O-CG 3.45Å; G488-K490 PolarHBondContact O-N 3.11Å; K490-F492 PolarHBondContact O-N 3.49Å; K490-S500 WeakPolarHBondContact CD-O 3.45Å; K490-S500 WeakPolarHBondContact O-CB 3.39Å; K490-F501 CarbonylContact C-O 3.57Å; K490-F501 VanDerWaalsContact C-O 3.23Å; K490-F501 VanDerWaalsContact CA-O 3.27Å; K490-F501 WeakPolarHBondContact CA-O 3.24Å |
| 491 | P | 86.6 | Confident | 89.2 | Confident | 79 Ų | 79 | 78 Ų | 78 | 51% | 0.513 | 41% | 0.405 | S | S | . | . | | | trans | -74.1 | -2.6 | -174 | 30.9 | -36.8 | 0 | 0 | 0 | 115 | A489 | A489-P491 VanDerWaalsContact O-CD 3.32Å; A489-P491 WeakPolarHBondContact O-CD 3.37Å |
| 492 | F | 89.3 | Confident | 89.2 | Confident | 64 Ų | 64 | 74.8 Ų | 74.8 | 28% | 0.281 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 90.2 | -178.8 | -58.1 | -74.2 | 0 | 0 | 0 | 110.7 | K490 F501 S504 L507 | K490-F492 PolarHBondContact O-N 3.49Å; F492-F501 HydrophobicContact CB-CB 4.36Å; F492-F501 WeakPolarHBondContact CB-O 3.32Å; F492-F501 PolarHBondContact N-O 2.82Å; F492-F501 VanDerWaalsContact N-O 3.07Å; F492-F501 PolarHBondContact O-N 3.17Å; F492-S504 VanDerWaalsContact CD2-N 3.33Å; F492-L507 HydrophobicContact CB-CB 4.21Å; F492-L507 HydrophobicContact CB-CD2 3.93Å |
| 493 | Q | 91.7 | Very high | 89.1 | Confident | 117 Ų | 117 | 77.5 Ų | 77.5 | 55% | 0.547 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 142.3 | 177.4 | -165.4 | 165.6 | 27 | 0 | 0 | 112.3 | S498 S500 | Q493-S498 WeakPolarHBondContact CG-O 3.47Å; Q493-S498 PolarHBondContact NE2-O 2.96Å; Q493-S500 WeakPolarHBondContact CG-OG 3.49Å |
| 494 | C | 93.9 | Very high | 89.2 | Confident | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.014 | 42% | 0.421 | C | S | . | . | | | trans | -80.1 | 125.5 | 168.6 | 179 | 0 | 0 | 0 | 0 | 110.3 | V496 S498 R499 F501 L507 H510 M511 H514 | C494-V496 VanDerWaalsContact C-N 3.28Å; C494-V496 PolarHBondContact O-N 2.82Å; C494-V496 PolarHBondContact SG-N 3.43Å; C494-V496 VanDerWaalsContact SG-N 3.43Å; C494-S498 VanDerWaalsContact O-CA 3.23Å; C494-S498 WeakPolarHBondContact O-CA 3.5Å; C494-S498 PolarHBondContact O-N 2.85Å; C494-S498 VanDerWaalsContact O-N 3.07Å; C494-R499 HydrophobicContact CB-CB 4.48Å; C494-R499 WeakPolarHBondContact CB-O 3.44Å; C494-R499 PolarHBondContact N-O 2.7Å; C494-F501 HydrophobicContact CB-CE2 4.37Å; C494-L507 HydrophobicContact CB-CD1 3.8Å; C494-H510 PolarHBondContact SG-NE2 3.27Å; C494-M511 HydrophobicContact CB-SD 4.49Å; C494-H514 PolarHBondContact SG-NE2 3.25Å |
| 495 | T | 90.3 | Very high | 89.3 | Confident | 132 Ų | 132 | 77.6 Ų | 77.6 | 81% | 0.81 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -20.8 | 177.6 | 49.7 | 0 | 0 | 0 | 0 | 114 | | |
| 496 | V | 89.9 | Confident | 89.6 | Confident | 91 Ų | 91 | 73.1 Ų | 73.1 | 55% | 0.552 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -39.7 | -173.9 | 179.1 | 0 | 0 | 0 | 0 | 112.8 | C494 M511 H514 | C494-V496 VanDerWaalsContact C-N 3.28Å; C494-V496 PolarHBondContact O-N 2.82Å; C494-V496 PolarHBondContact SG-N 3.43Å; C494-V496 VanDerWaalsContact SG-N 3.43Å; V496-M511 HydrophobicContact CG2-CE 3.96Å; V496-H514 HydrophobicContact CB-CB 4.49Å; V496-H514 HydrophobicContact CG1-CB 4.15Å; V496-H514 HydrophobicContact CG2-CB 4.45Å |
| 497 | C | 91.5 | Very high | 89.9 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 29% | 0.291 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.6 | 29 | -177.6 | 81.3 | 0 | 0 | 0 | 0 | 113.6 | R499 H510 H514 | C497-R499 PolarHBondContact O-N 3.28Å; C497-H510 VanDerWaalsContact SG-CE1 3.59Å; C497-H510 PolarHBondContact SG-NE2 2.38Å; C497-H514 PolarHBondContact SG-CE1 2.73Å; C497-H514 PolarHBondContact SG-NE2 3.3Å; C497-H514 VanDerWaalsContact SG-NE2 3.44Å |
| 498 | S | 89.1 | Confident | 90.1 | Very high | 86 Ų | 86 | 70.7 Ų | 70.7 | 60% | 0.601 | 40% | 0.4 | S | S | * | . | | | trans | 51.2 | 2.5 | 174 | 62 | 0 | 0 | 0 | 0 | 118.2 | Q493 C494 S500 | Q493-S498 WeakPolarHBondContact CG-O 3.47Å; Q493-S498 PolarHBondContact NE2-O 2.96Å; C494-S498 VanDerWaalsContact O-CA 3.23Å; C494-S498 WeakPolarHBondContact O-CA 3.5Å; C494-S498 PolarHBondContact O-N 2.85Å; C494-S498 VanDerWaalsContact O-N 3.07Å; S498-S500 PolarHBondContact O-N 3Å |
| 499 | R | 89.6 | Confident | 90.4 | Very high | 163 Ų | 163 | 74 Ų | 74 | 62% | 0.615 | 41% | 0.408 | S | S | * | . | | | trans | -66.1 | 127.3 | 179 | -86.3 | -175.8 | 143 | 113.8 | -1 | 111.9 | C494 C497 F501 | C494-R499 HydrophobicContact CB-CB 4.48Å; C494-R499 WeakPolarHBondContact CB-O 3.44Å; C494-R499 PolarHBondContact N-O 2.7Å; C497-R499 PolarHBondContact O-N 3.28Å; R499-F501 HydrophobicContact CB-CE2 3.84Å; R499-F501 HydrophobicContact CB-CZ 4.08Å; R499-F501 WeakPolarHBondContact O-CD2 3.41Å; R499-F501 VanDerWaalsContact O-CE2 3.24Å; R499-F501 WeakPolarHBondContact O-CE2 3.49Å |
| 500 | S | 91.6 | Very high | 90.7 | Very high | 46 Ų | 46 | 72.7 Ų | 72.7 | 32% | 0.322 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 137 | -179.7 | -51.5 | 0 | 0 | 0 | 0 | 113.4 | K490 Q493 S498 | K490-S500 WeakPolarHBondContact CD-O 3.45Å; K490-S500 WeakPolarHBondContact O-CB 3.39Å; Q493-S500 WeakPolarHBondContact CG-OG 3.49Å; S498-S500 PolarHBondContact O-N 3Å |
| 501 | F | 89.8 | Confident | 90.8 | Very high | 45 Ų | 45 | 68.7 Ų | 68.7 | 20% | 0.197 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 147.4 | -175.6 | -60 | -92.3 | 0 | 0 | 0 | 111.6 | K490 F492 C494 R499 R503 H506 L507 H510 | K490-F501 CarbonylContact C-O 3.57Å; K490-F501 VanDerWaalsContact C-O 3.23Å; K490-F501 VanDerWaalsContact CA-O 3.27Å; K490-F501 WeakPolarHBondContact CA-O 3.24Å; F492-F501 HydrophobicContact CB-CB 4.36Å; F492-F501 WeakPolarHBondContact CB-O 3.32Å; F492-F501 PolarHBondContact N-O 2.82Å; F492-F501 VanDerWaalsContact N-O 3.07Å; F492-F501 PolarHBondContact O-N 3.17Å; C494-F501 HydrophobicContact CB-CE2 4.37Å; R499-F501 HydrophobicContact CB-CE2 3.84Å; R499-F501 HydrophobicContact CB-CZ 4.08Å; R499-F501 WeakPolarHBondContact O-CD2 3.41Å; R499-F501 VanDerWaalsContact O-CE2 3.24Å; R499-F501 WeakPolarHBondContact O-CE2 3.49Å; F501-R503 VanDerWaalsContact C-N 3.28Å; F501-R503 PolarHBondContact O-N 3.16Å; F501-H506 HydrophobicContact CB-CB 4.4Å; F501-H506 HydrophobicContact CD1-CB 3.93Å; F501-H506 HydrophobicContact CG-CB 4.44Å; F501-L507 HydrophobicContact CB-CB 4.48Å; F501-L507 HydrophobicContact CD2-CB 4.11Å; F501-L507 HydrophobicContact CD2-CD1 4.02Å; F501-L507 HydrophobicContact CE2-CD1 4.17Å; F501-L507 HydrophobicContact CG-CB 4.42Å; F501-H510 HydrophobicContact CE1-CB 4.13Å; F501-H510 HydrophobicContact CE2-CB 4.08Å; F501-H510 AromaticContact CE2-CD2 3.24Å; F501-H510 WeakPolarHBondContact CE2-CD2 3.3Å; F501-H510 AromaticContact CE2-CG 3.79Å; F501-H510 AromaticContact CE2-NE2 3.98Å; F501-H510 HydrophobicContact CZ-CB 3.61Å; F501-H510 AromaticContact CZ-CD2 3.31Å; F501-H510 WeakPolarHBondContact CZ-CD2 3.3Å; F501-H510 AromaticContact CZ-CG 3.38Å; F501-H510 AromaticContact CZ-NE2 3.96Å |
| 502 | S | 88.7 | Confident | 91.1 | Very high | 41 Ų | 41 | 70.8 Ų | 70.8 | 29% | 0.287 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -78.1 | -10.6 | 176.6 | 57 | 0 | 0 | 0 | 0 | 114.1 | R484 A489 | R484-S502 WeakPolarHBondContact CD-O 3.05Å; R484-S502 PolarHBondContact NH1-O 3.37Å; A489-S502 WeakPolarHBondContact O-CB 3.45Å |
| 503 | R | 88.8 | Confident | 91.1 | Very high | 71 Ų | 71 | 76.1 Ų | 76.1 | 27% | 0.268 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -142.4 | 143.3 | -177.7 | -61.9 | 160.3 | 53.5 | 168.7 | 1 | 112 | R481 F501 D505 H506 L507 | R481-R503 HydrophobicContact CG-CG 4.17Å; F501-R503 VanDerWaalsContact C-N 3.28Å; F501-R503 PolarHBondContact O-N 3.16Å; R503-D505 WeakPolarHBondContact CB-OD1 3.31Å; R503-D505 IonicContact CZ-OD1 2.82Å; R503-D505 IonicContact CZ-OD2 2.81Å; R503-D505 IonicContact NE-OD1 3.37Å; R503-D505 PolarHBondContact NE-OD1 2.88Å; R503-D505 IonicContact NE-OD2 2.79Å; R503-D505 VanDerWaalsContact NH2-CG 3.35Å; R503-D505 IonicContact NH2-OD1 3.87Å; R503-D505 PolarHBondContact NH2-OD1 3.4Å; R503-D505 IonicContact NH2-OD2 3.16Å; R503-D505 PolarHBondContact NH2-OD2 2.89Å; R503-H506 WeakPolarHBondContact CD-NE2 3.22Å; R503-H506 VanDerWaalsContact CZ-NE2 3.3Å; R503-H506 PolarHBondContact NE-NE2 2.9Å; R503-H506 PolarHBondContact NH1-NE2 3.48Å; R503-H506 PolarHBondContact O-N 3.09Å; R503-L507 PolarHBondContact O-N 3.35Å |
| 504 | S | 91.3 | Very high | 91 | Very high | 69 Ų | 69 | 73.7 Ų | 73.7 | 48% | 0.483 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.1 | -30.4 | 179.5 | 48.5 | 0 | 0 | 0 | 0 | 113.7 | F492 H506 L507 A508 | F492-S504 VanDerWaalsContact CD2-N 3.33Å; S504-H506 VanDerWaalsContact C-N 3.33Å; S504-L507 PolarHBondContact O-N 2.99Å; S504-A508 WeakPolarHBondContact O-CB 3.49Å; S504-A508 PolarHBondContact O-N 2.88Å |
| 505 | D | 91.4 | Very high | 90.4 | Very high | 65 Ų | 65 | 80.5 Ų | 80.5 | 35% | 0.348 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.4 | -31.6 | 176.5 | 68.8 | -60.3 | 0 | 0 | 0 | 112.3 | R503 A508 L509 | R503-D505 WeakPolarHBondContact CB-OD1 3.31Å; R503-D505 IonicContact CZ-OD1 2.82Å; R503-D505 IonicContact CZ-OD2 2.81Å; R503-D505 IonicContact NE-OD1 3.37Å; R503-D505 PolarHBondContact NE-OD1 2.88Å; R503-D505 IonicContact NE-OD2 2.79Å; R503-D505 VanDerWaalsContact NH2-CG 3.35Å; R503-D505 IonicContact NH2-OD1 3.87Å; R503-D505 PolarHBondContact NH2-OD1 3.4Å; R503-D505 IonicContact NH2-OD2 3.16Å; R503-D505 PolarHBondContact NH2-OD2 2.89Å; D505-A508 PolarHBondContact O-N 3.23Å; D505-L509 WeakPolarHBondContact O-CG 3.42Å; D505-L509 PolarHBondContact O-N 2.89Å |
| 506 | H | 92.3 | Very high | 88.8 | Confident | 70 Ų | 70 | 83.7 Ų | 83.7 | 32% | 0.324 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71.3 | -39 | 172.1 | -64.4 | -17.7 | 0 | 0 | 0 | 112 | F501 R503 S504 H510 | F501-H506 HydrophobicContact CB-CB 4.4Å; F501-H506 HydrophobicContact CD1-CB 3.93Å; F501-H506 HydrophobicContact CG-CB 4.44Å; R503-H506 WeakPolarHBondContact CD-NE2 3.22Å; R503-H506 VanDerWaalsContact CZ-NE2 3.3Å; R503-H506 PolarHBondContact NE-NE2 2.9Å; R503-H506 PolarHBondContact NH1-NE2 3.48Å; R503-H506 PolarHBondContact O-N 3.09Å; S504-H506 VanDerWaalsContact C-N 3.33Å; H506-H510 VanDerWaalsContact O-CB 3.28Å; H506-H510 WeakPolarHBondContact O-CB 3.19Å; H506-H510 PolarHBondContact O-N 3.42Å |
| 507 | L | 93 | Very high | 88.7 | Confident | 31 Ų | 31 | 83.4 Ų | 83.4 | 16% | 0.162 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.3 | -47.3 | 169.7 | 175.3 | 59.7 | 0 | 0 | 0 | 111 | F492 C494 F501 R503 S504 L509 H510 M511 | F492-L507 HydrophobicContact CB-CB 4.21Å; F492-L507 HydrophobicContact CB-CD2 3.93Å; C494-L507 HydrophobicContact CB-CD1 3.8Å; F501-L507 HydrophobicContact CB-CB 4.48Å; F501-L507 HydrophobicContact CD2-CB 4.11Å; F501-L507 HydrophobicContact CD2-CD1 4.02Å; F501-L507 HydrophobicContact CE2-CD1 4.17Å; F501-L507 HydrophobicContact CG-CB 4.42Å; R503-L507 PolarHBondContact O-N 3.35Å; S504-L507 PolarHBondContact O-N 2.99Å; L507-L509 VanDerWaalsContact C-N 3.33Å; L507-L509 PolarHBondContact O-N 2.91Å; L507-H510 CarbonylContact O-C 3.58Å; L507-H510 WeakPolarHBondContact O-CA 3.43Å; L507-H510 WeakPolarHBondContact O-CB 3.44Å; L507-H510 PolarHBondContact O-N 3.01Å; L507-M511 HydrophobicContact CD1-CG 4Å; L507-M511 HydrophobicContact CD1-SD 3.97Å; L507-M511 HydrophobicContact CG-CG 4.31Å; L507-M511 WeakPolarHBondContact O-CG 3.28Å; L507-M511 PolarHBondContact O-N 3.02Å |
| 508 | A | 92.1 | Very high | 88.6 | Confident | 59 Ų | 59 | 85.5 Ų | 85.5 | 49% | 0.488 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.3 | -36.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S504 D505 | S504-A508 WeakPolarHBondContact O-CB 3.49Å; S504-A508 PolarHBondContact O-N 2.88Å; D505-A508 PolarHBondContact O-N 3.23Å |
| 509 | L | 92.6 | Very high | 88.5 | Confident | 110 Ų | 110 | 85.4 Ų | 85.4 | 58% | 0.576 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -70.8 | -36 | 171.1 | -72.3 | 173 | 0 | 0 | 0 | 112.4 | D505 L507 K512 | D505-L509 WeakPolarHBondContact O-CG 3.42Å; D505-L509 PolarHBondContact O-N 2.89Å; L507-L509 VanDerWaalsContact C-N 3.33Å; L507-L509 PolarHBondContact O-N 2.91Å; L509-K512 PolarHBondContact O-N 3.24Å |
| 510 | H | 92.9 | Very high | 88.5 | Confident | 11 Ų | 11 | 80.9 Ų | 80.9 | 5% | 0.051 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 176.1 | 170.8 | 51.4 | 0 | 0 | 0 | 112.8 | C494 C497 F501 H506 L507 K512 R513 H514 | C494-H510 PolarHBondContact SG-NE2 3.27Å; C497-H510 VanDerWaalsContact SG-CE1 3.59Å; C497-H510 PolarHBondContact SG-NE2 2.38Å; F501-H510 HydrophobicContact CE1-CB 4.13Å; F501-H510 HydrophobicContact CE2-CB 4.08Å; F501-H510 AromaticContact CE2-CD2 3.24Å; F501-H510 WeakPolarHBondContact CE2-CD2 3.3Å; F501-H510 AromaticContact CE2-CG 3.79Å; F501-H510 AromaticContact CE2-NE2 3.98Å; F501-H510 HydrophobicContact CZ-CB 3.61Å; F501-H510 AromaticContact CZ-CD2 3.31Å; F501-H510 WeakPolarHBondContact CZ-CD2 3.3Å; F501-H510 AromaticContact CZ-CG 3.38Å; F501-H510 AromaticContact CZ-NE2 3.96Å; H506-H510 VanDerWaalsContact O-CB 3.28Å; H506-H510 WeakPolarHBondContact O-CB 3.19Å; H506-H510 PolarHBondContact O-N 3.42Å; L507-H510 CarbonylContact O-C 3.58Å; L507-H510 WeakPolarHBondContact O-CA 3.43Å; L507-H510 WeakPolarHBondContact O-CB 3.44Å; L507-H510 PolarHBondContact O-N 3.01Å; H510-K512 PolarHBondContact O-N 2.95Å; H510-K512 VanDerWaalsContact O-N 3.14Å; H510-R513 VanDerWaalsContact O-CB 3.27Å; H510-R513 WeakPolarHBondContact O-CB 3.45Å; H510-R513 PolarHBondContact O-N 2.92Å; H510-H514 AromaticContact CD2-NE2 3.96Å; H510-H514 AromaticContact CE1-CE1 3.69Å; H510-H514 AromaticContact CE1-NE2 3.2Å; H510-H514 PolarHBondContact CE1-NE2 3.26Å; H510-H514 AromaticContact NE2-CE1 3.96Å; H510-H514 AromaticContact NE2-NE2 3.11Å; H510-H514 PolarHBondContact NE2-NE2 3.07Å; H510-H514 VanDerWaalsContact NE2-NE2 3.11Å |
| 511 | M | 91.1 | Very high | 88.3 | Confident | 48 Ų | 48 | 83.1 Ų | 83.1 | 24% | 0.236 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.2 | -27.9 | 178.1 | -69.7 | -54.4 | -63.8 | 0 | 0 | 112.8 | C494 V496 L507 R513 H514 Q515 | C494-M511 HydrophobicContact CB-SD 4.49Å; V496-M511 HydrophobicContact CG2-CE 3.96Å; L507-M511 HydrophobicContact CD1-CG 4Å; L507-M511 HydrophobicContact CD1-SD 3.97Å; L507-M511 HydrophobicContact CG-CG 4.31Å; L507-M511 WeakPolarHBondContact O-CG 3.28Å; L507-M511 PolarHBondContact O-N 3.02Å; M511-R513 PolarHBondContact O-N 3.29Å; M511-H514 PolarHBondContact O-N 3.3Å; M511-Q515 WeakPolarHBondContact O-CG 3.44Å |
| 512 | K | 92.8 | Very high | 88.2 | Confident | 122 Ų | 122 | 85.6 Ų | 85.6 | 53% | 0.53 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -64 | -22.3 | 173.3 | -62.4 | -174.2 | 177.5 | -171.4 | 0 | 113.7 | L509 H510 H514 Q515 | L509-K512 PolarHBondContact O-N 3.24Å; H510-K512 PolarHBondContact O-N 2.95Å; H510-K512 VanDerWaalsContact O-N 3.14Å; K512-H514 PolarHBondContact O-N 2.96Å; K512-Q515 PolarHBondContact O-N 2.87Å |
| 513 | R | 89.5 | Confident | 88.2 | Confident | 177 Ų | 177 | 88.8 Ų | 88.8 | 67% | 0.668 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -74.3 | -17.1 | 173.4 | -168.3 | 176 | -63.9 | 142.4 | 3.3 | 112.7 | H510 M511 | H510-R513 VanDerWaalsContact O-CB 3.27Å; H510-R513 WeakPolarHBondContact O-CB 3.45Å; H510-R513 PolarHBondContact O-N 2.92Å; M511-R513 PolarHBondContact O-N 3.29Å |
| 514 | H | 88.8 | Confident | 88.1 | Confident | 65 Ų | 65 | 90.2 Ų | 90.2 | 30% | 0.301 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -99.3 | 12 | 173.4 | -52 | -53.5 | 0 | 0 | 0 | 112.1 | C494 V496 C497 H510 M511 K512 | C494-H514 PolarHBondContact SG-NE2 3.25Å; V496-H514 HydrophobicContact CB-CB 4.49Å; V496-H514 HydrophobicContact CG1-CB 4.15Å; V496-H514 HydrophobicContact CG2-CB 4.45Å; C497-H514 PolarHBondContact SG-CE1 2.73Å; C497-H514 PolarHBondContact SG-NE2 3.3Å; C497-H514 VanDerWaalsContact SG-NE2 3.44Å; H510-H514 AromaticContact CD2-NE2 3.96Å; H510-H514 AromaticContact CE1-CE1 3.69Å; H510-H514 AromaticContact CE1-NE2 3.2Å; H510-H514 PolarHBondContact CE1-NE2 3.26Å; H510-H514 AromaticContact NE2-CE1 3.96Å; H510-H514 AromaticContact NE2-NE2 3.11Å; H510-H514 PolarHBondContact NE2-NE2 3.07Å; H510-H514 VanDerWaalsContact NE2-NE2 3.11Å; M511-H514 PolarHBondContact O-N 3.3Å; K512-H514 PolarHBondContact O-N 2.96Å |
| 515 | Q | 81.1 | Confident | 87.8 | Confident | 145 Ų | 145 | 91.9 Ų | 91.9 | 68% | 0.678 | 45% | 0.453 | S | S | * | . | | | trans | -115.4 | 5.5 | 177.6 | -67.4 | 171.5 | -9.8 | 0 | 0 | 111.7 | M511 K512 | M511-Q515 WeakPolarHBondContact O-CG 3.44Å; K512-Q515 PolarHBondContact O-N 2.87Å |
| 516 | N | 56.7 | Low | 87.5 | Confident | 200 Ų | 200 | 94.4 Ų | 94.4 | 100% | 1.07 | 46% | 0.462 | S | S | * | . | | | trans | -131.7 | 0 | -177.1 | -93 | 79.2 | 0 | 0 | 0 | 107.9 | | |