| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.6 | Very low | 40 | Very low | 235 Ų | 235 | 156.8 Ų | 156.8 | 100% | 1.158 | 86% | 0.859 | S | S | * | * | 0 | 119.2 | 0 | -83.2 | 171.7 | 158.6 | 0 | 0 | 108 | |||||
| 2 | M | 40.5 | Very low | 39.3 | Very low | 198 Ų | 198 | 156.7 Ų | 156.7 | 98% | 0.975 | 86% | 0.855 | S | S | * | * | trans | 46.3 | 123 | 154.1 | -57.5 | 172.9 | -179.2 | 0 | 0 | 118.3 | ||||
| 3 | G | 37.4 | Very low | 38.8 | Very low | 77 Ų | 77 | 152 Ų | 152 | 79% | 0.794 | 84% | 0.841 | S | S | * | * | cis | 163.2 | 132.9 | 5.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 4 | S | 40.5 | Very low | 38.7 | Very low | 120 Ų | 120 | 151.6 Ų | 151.6 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | trans | -79.6 | -169.7 | 152.1 | -52.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 5 | P | 51.5 | Low | 38.7 | Very low | 114 Ų | 114 | 150.9 Ų | 150.9 | 74% | 0.74 | 82% | 0.824 | S | S | * | * | cis | -141.3 | -171.7 | -5 | 35.1 | -12.3 | 0 | 0 | 0 | 113.8 | ||||
| 6 | S | 39.5 | Very low | 38.3 | Very low | 122 Ų | 122 | 149.1 Ų | 149.1 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | 147 | 135.9 | 129.4 | 57.5 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 7 | R | 37.4 | Very low | 38.4 | Very low | 239 Ų | 239 | 150.4 Ų | 150.4 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -82.7 | -156.2 | 175.4 | -57.6 | -179.8 | 173.2 | 178.7 | -2.6 | 111.2 | ||||
| 8 | P | 43.9 | Very low | 38.2 | Very low | 106 Ų | 106 | 150.9 Ų | 150.9 | 69% | 0.688 | 81% | 0.806 | S | S | * | * | cis | -145.1 | -156.7 | -7.3 | 33.5 | -6.3 | 0 | 0 | 0 | 115.8 | ||||
| 9 | T | 38.9 | Very low | 38.2 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | 97.5 | 109.7 | 163.8 | 67.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 10 | D | 33.6 | Very low | 37.9 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | 77.1 | 113.7 | 71 | -81.3 | -23 | 0 | 0 | 0 | 114.4 | |||||
| 11 | Y | 40.8 | Very low | 37.5 | Very low | 245 Ų | 245 | 146 Ų | 146 | 96% | 0.961 | 80% | 0.801 | S | S | * | * | trans | -147.6 | 121.5 | 151.3 | -101.4 | -82.8 | 0 | 0 | 0 | 110.3 | ||||
| 12 | L | 31 | Very low | 37.6 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -122.3 | 159 | -174 | -136.1 | 158.6 | 0 | 0 | 0 | 108.2 | ||||
| 13 | S | 32.9 | Very low | 37.4 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | trans | 86.2 | 140.3 | 167.9 | 83.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 14 | H | 37.5 | Very low | 37.3 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 68% | 0.676 | 77% | 0.773 | S | S | * | * | cis | -168.4 | 164.5 | 39.9 | -128.7 | -72.5 | 0 | 0 | 0 | 113.5 | ||||
| 15 | N | 38.7 | Very low | 37.2 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | 95.7 | 104.3 | 159.3 | -57.3 | -17.6 | 0 | 0 | 0 | 116.9 | ||||
| 16 | I | 32.9 | Very low | 36.3 | Very low | 122 Ų | 122 | 150 Ų | 150 | 63% | 0.626 | 78% | 0.783 | S | S | * | * | cis | 69 | 109.6 | 48.7 | -52.2 | 178.8 | 0 | 0 | 0 | 114.4 | ||||
| 17 | H | 39.3 | Very low | 36.1 | Very low | 171 Ų | 171 | 152.9 Ų | 152.9 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | 174.7 | 107.8 | 127.8 | -93.4 | -70.6 | 0 | 0 | 0 | 109.5 | |||||
| 18 | H | 35.3 | Very low | 36 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | 69.6 | 108.5 | 95.6 | -110.7 | -72.7 | 0 | 0 | 0 | 115.5 | |||||
| 19 | V | 37.5 | Very low | 35.8 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | -160 | 119.4 | 124.8 | 175.4 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 20 | S | 31.8 | Very low | 35.6 | Very low | 92 Ų | 92 | 156.4 Ų | 156.4 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | trans | -95.2 | 150.1 | 173.1 | -82.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 21 | S | 30.9 | Very low | 35.6 | Very low | 110 Ų | 110 | 152.8 Ų | 152.8 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 49.4 | 123 | 140.9 | 67.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 22 | E | 37.2 | Very low | 35.4 | Very low | 183 Ų | 183 | 150.8 Ų | 150.8 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | -157.3 | 123.9 | 129.1 | -110 | 175.8 | 176.5 | 0 | 0 | 112.6 | |||||
| 23 | H | 37.8 | Very low | 35.6 | Very low | 158 Ų | 158 | 152.9 Ų | 152.9 | 73% | 0.731 | 80% | 0.795 | S | S | * | * | trans | 51.7 | 111.1 | 146.8 | -80.1 | -62.1 | 0 | 0 | 0 | 124.6 | ||||
| 24 | D | 35.3 | Very low | 35.8 | Very low | 138 Ų | 138 | 159.5 Ų | 159.5 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | 26.5 | 114 | 119.9 | -61.3 | -42.4 | 0 | 0 | 0 | 119.3 | |||||
| 25 | N | 37.5 | Very low | 35.7 | Very low | 174 Ų | 174 | 163.4 Ų | 163.4 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | -155 | 126.2 | 121.5 | -125.5 | -22.1 | 0 | 0 | 0 | 112.1 | |||||
| 26 | M | 32.7 | Very low | 35.7 | Very low | 175 Ų | 175 | 166 Ų | 166 | 86% | 0.862 | 82% | 0.824 | S | S | * | * | trans | -103.5 | 116 | -171.7 | -175.3 | -173.3 | -177 | 0 | 0 | 108 | ||||
| 27 | Q | 35.7 | Very low | 35.9 | Very low | 183 Ų | 183 | 168.2 Ų | 168.2 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | trans | -168.2 | 128.2 | 154.3 | -110.5 | 167.2 | 25.3 | 0 | 0 | 113.5 | ||||
| 28 | N | 35.5 | Very low | 35.7 | Very low | 142 Ų | 142 | 165.8 Ų | 165.8 | 76% | 0.759 | 83% | 0.833 | S | S | * | * | trans | 59.8 | 107.6 | 151.6 | -90.4 | -20 | 0 | 0 | 0 | 119.5 | ||||
| 29 | T | 38.3 | Very low | 35.7 | Very low | 146 Ų | 146 | 167 Ų | 167 | 90% | 0.896 | 84% | 0.839 | S | S | * | * | -173 | 124.9 | 98.8 | 27.3 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 30 | R | 34.5 | Very low | 35.3 | Very low | 252 Ų | 252 | 163.3 Ų | 163.3 | 95% | 0.951 | 83% | 0.831 | S | S | * | * | trans | -100.6 | 126.4 | -178.5 | -163.7 | -176.1 | -164.9 | -177.8 | 4.7 | 106.4 | ||||
| 31 | G | 34.5 | Very low | 35.4 | Very low | 72 Ų | 72 | 164.7 Ų | 164.7 | 74% | 0.742 | 84% | 0.841 | S | S | * | * | trans | 166.9 | 84.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 32 | K | 35.9 | Very low | 35.5 | Very low | 202 Ų | 202 | 164 Ų | 164 | 88% | 0.878 | 84% | 0.842 | S | S | * | * | trans | 61.6 | 107.2 | 137.2 | -73.6 | 178.3 | 174.5 | 175.1 | 0 | 120.1 | ||||
| 33 | H | 36.1 | Very low | 35.3 | Very low | 199 Ų | 199 | 161.7 Ų | 161.7 | 92% | 0.921 | 84% | 0.844 | S | S | * | * | trans | -45.9 | 132.2 | 139.8 | -92.4 | -63.8 | 0 | 0 | 0 | 111.9 | ||||
| 34 | R | 37.5 | Very low | 35 | Very low | 236 Ų | 236 | 161.6 Ų | 161.6 | 89% | 0.891 | 85% | 0.848 | S | S | * | * | trans | -129.8 | 114.4 | 160.7 | -116.1 | -179.4 | -178.6 | -179.6 | -0.5 | 109.7 | ||||
| 35 | R | 35.6 | Very low | 35.1 | Very low | 227 Ų | 227 | 161.3 Ų | 161.3 | 86% | 0.857 | 85% | 0.851 | S | S | * | * | trans | -64.4 | 135.2 | 155.6 | -85.2 | 179.3 | -179.6 | 167.4 | 0.1 | 108 | ||||
| 36 | M | 38 | Very low | 34.8 | Very low | 195 Ų | 195 | 158.1 Ų | 158.1 | 96% | 0.961 | 84% | 0.843 | S | S | * | * | trans | -88.2 | 111.5 | 162.8 | -83.7 | -178.5 | 165.3 | 0 | 0 | 108.6 | ||||
| 37 | H | 36.4 | Very low | 35.1 | Very low | 169 Ų | 169 | 155.3 Ų | 155.3 | 78% | 0.782 | 84% | 0.84 | S | S | * | * | trans | -99.7 | 133.9 | 154.2 | -100.5 | -92.8 | 0 | 0 | 0 | 107.4 | ||||
| 38 | S | 35.7 | Very low | 35.1 | Very low | 120 Ų | 120 | 151.6 Ų | 151.6 | 84% | 0.839 | 83% | 0.834 | S | S | * | * | trans | -79.8 | 117.4 | 171.9 | 159 | 0 | 0 | 0 | 0 | 109 | ||||
| 39 | E | 34.5 | Very low | 35 | Very low | 185 Ų | 185 | 150.3 Ų | 150.3 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | trans | -123.4 | 125.7 | 161.4 | -78.2 | -178.2 | 162.2 | 0 | 0 | 108.5 | ||||
| 40 | G | 29.2 | Very low | 34.9 | Very low | 71 Ų | 71 | 150.9 Ų | 150.9 | 73% | 0.732 | 83% | 0.833 | S | S | * | * | trans | -75.1 | 148.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 41 | S | 35.1 | Very low | 35.2 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -149.5 | 124.2 | 159.7 | -84.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 42 | A | 31.9 | Very low | 35.3 | Very low | 95 Ų | 95 | 148.4 Ų | 148.4 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | trans | -72.2 | 144.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 43 | C | 33.8 | Very low | 35.5 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 91% | 0.905 | 82% | 0.823 | S | S | * | * | trans | -126.8 | 126.7 | 160.6 | -89.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 44 | I | 30.6 | Very low | 35.5 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | trans | -94.6 | 141.9 | 174.8 | -66.1 | 168.4 | 0 | 0 | 0 | 108.2 | ||||
| 45 | T | 38.1 | Very low | 35.7 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | 178.7 | 100.2 | 147.3 | 31.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 46 | S | 31 | Very low | 35.9 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | 77.5 | 97.2 | 86.5 | 73.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 47 | S | 40.2 | Very low | 35.7 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -174.8 | 154.4 | 139 | 71.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 48 | S | 34.3 | Very low | 35.8 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | cis | -166.9 | 158.9 | -25.2 | -79.3 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 49 | C | 34.3 | Very low | 35.8 | Very low | 116 Ų | 116 | 129 Ų | 129 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | 92.3 | 83.3 | 165.2 | -54.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 50 | D | 36.6 | Very low | 35.8 | Very low | 157 Ų | 157 | 126.5 Ų | 126.5 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | 71.5 | 141.5 | 125.4 | -60.6 | -21.8 | 0 | 0 | 0 | 125.2 | |||||
| 51 | P | 39.6 | Very low | 36.1 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | trans | -121.1 | -167.9 | -158.7 | 36.5 | -14.7 | 0 | 0 | 0 | 113.3 | ||||
| 52 | L | 37.7 | Very low | 36 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | 130.1 | 121.2 | 167.7 | -72.7 | 165.4 | 0 | 0 | 0 | 107.7 | ||||
| 53 | I | 39 | Very low | 36.1 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | cis | -163.5 | 147.8 | 31.1 | -60 | -177.1 | 0 | 0 | 0 | 108.2 | ||||
| 54 | P | 37.2 | Very low | 36.3 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | trans | -116.8 | 150.4 | 174.5 | 38.9 | -26.6 | 0 | 0 | 0 | 115.2 | ||||
| 55 | N | 41.3 | Very low | 36.3 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | 173 | 146.6 | 152.5 | -111.3 | -5.8 | 0 | 0 | 0 | 106 | ||||
| 56 | Q | 39.1 | Very low | 36.2 | Very low | 167 Ų | 167 | 139.6 Ų | 139.6 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | cis | -165.7 | 163.8 | 24.2 | -137.5 | 166.6 | -3.2 | 0 | 0 | 108 | ||||
| 57 | T | 35.3 | Very low | 36.2 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | trans | -69.8 | 153.1 | -177.3 | 47.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 58 | D | 36.8 | Very low | 35.8 | Very low | 133 Ų | 133 | 147 Ų | 147 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | 150.9 | 126.7 | 110.6 | -88.6 | -46.8 | 0 | 0 | 0 | 114.6 | |||||
| 59 | T | 35.8 | Very low | 35.7 | Very low | 115 Ų | 115 | 153.4 Ų | 153.4 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | 45.3 | 129.5 | 140.1 | 61.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 60 | D | 34.4 | Very low | 35.7 | Very low | 132 Ų | 132 | 157.8 Ų | 157.8 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | 99.2 | 137.2 | 121.7 | -104.3 | 7.7 | 0 | 0 | 0 | 123.2 | |||||
| 61 | W | 35.8 | Very low | 35.7 | Very low | 201 Ų | 201 | 160 Ų | 160 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | 77.3 | 103.7 | 158.6 | -62.7 | 104.3 | 0 | 0 | 0 | 122.9 | ||||
| 62 | M | 32.5 | Very low | 35.2 | Very low | 164 Ų | 164 | 162.6 Ų | 162.6 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | 48 | 151.1 | 131.4 | -74.3 | -167 | 75.3 | 0 | 0 | 123.8 | ||||
| 63 | P | 35.8 | Very low | 35.2 | Very low | 111 Ų | 111 | 160.6 Ų | 160.6 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | trans | -103.1 | 149.7 | -150.4 | 38.1 | -30 | 0 | 0 | 0 | 115.3 | ||||
| 64 | Q | 36.9 | Very low | 34.9 | Very low | 193 Ų | 193 | 162 Ų | 162 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -124.5 | 140 | 162.6 | -76.6 | -171 | 4.3 | 0 | 0 | 111.8 | ||||
| 65 | F | 29.7 | Very low | 34.4 | Very low | 221 Ų | 221 | 166.5 Ų | 166.5 | 97% | 0.969 | 81% | 0.809 | S | S | * | * | trans | -48.2 | 128.1 | 172 | -89.2 | -105.6 | 0 | 0 | 0 | 112.5 | ||||
| 66 | A | 36.6 | Very low | 33.9 | Very low | 94 Ų | 94 | 165.3 Ų | 165.3 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | -143.9 | 126.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | R68 | A66-R68 PolarHBondContact O-N 2.88Š| ||
| 67 | L | 31.9 | Very low | 33.2 | Very low | 173 Ų | 173 | 165.6 Ų | 165.6 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -47.2 | 130.4 | 177.4 | -73.5 | 98.5 | 0 | 0 | 0 | 112.5 | ||||
| 68 | R | 31.5 | Very low | 33.1 | Very low | 207 Ų | 207 | 165.9 Ų | 165.9 | 78% | 0.781 | 82% | 0.823 | S | S | * | * | trans | -111.1 | 93.8 | 164.3 | -148.5 | 175.1 | -161.9 | -166.8 | 4.6 | 110.1 | A66 R70 | A66-R68 PolarHBondContact O-N 2.88Å; R68-R70 PolarHBondContact O-N 3.08Å | ||
| 69 | R | 32.1 | Very low | 32.9 | Very low | 239 Ų | 239 | 164.6 Ų | 164.6 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 121.1 | 154.3 | -70.5 | -173.8 | -160.2 | -165.6 | 5.3 | 107.2 | ||
| 70 | R | 34.9 | Very low | 32.5 | Very low | 208 Ų | 208 | 167 Ų | 167 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 125.5 | 164.6 | -90.2 | -174.7 | 178.6 | 170.9 | 0.8 | 109.4 | R68 | R68-R70 PolarHBondContact O-N 3.08Š|
| 71 | K | 36.3 | Very low | 32.5 | Very low | 204 Ų | 204 | 166 Ų | 166 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -58 | 140.4 | 179.6 | -65.4 | 176.4 | 171.7 | -173.6 | 0 | 111.9 | ||
| 72 | L | 27.7 | Very low | 32.2 | Very low | 163 Ų | 163 | 161.4 Ų | 161.4 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 143 | 153.3 | -98.1 | 89 | 0 | 0 | 0 | 108.9 | ||
| 73 | P | 38.6 | Very low | 32.4 | Very low | 122 Ų | 122 | 161.4 Ų | 161.4 | 79% | 0.792 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 138.7 | 164.7 | -2.3 | 20.8 | 0 | 0 | 0 | 110.6 | ||
| 74 | E | 32.8 | Very low | 32.2 | Very low | 183 Ų | 183 | 164.7 Ų | 164.7 | 86% | 0.855 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 141 | 175.7 | -70.6 | 163.7 | 143.7 | 0 | 0 | 112.4 | ||
| 75 | F | 27.1 | Very low | 32 | Very low | 210 Ų | 210 | 162 Ų | 162 | 92% | 0.921 | 84% | 0.84 | S | S | * | * | trans | -77.9 | 112.5 | 163.7 | -106.9 | -96.4 | 0 | 0 | 0 | 108.5 | L77 | F75-L77 PolarHBondContact O-N 3.48Š| ||
| 76 | C | 29.5 | Very low | 32 | Very low | 121 Ų | 121 | 157.1 Ų | 157.1 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -81 | 110.2 | 163.3 | -70.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 77 | L | 24.8 | Very low | 31.9 | Very low | 173 Ų | 173 | 159.2 Ų | 159.2 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | trans | -78.2 | 123.9 | 154.1 | -80.4 | 160.7 | 0 | 0 | 0 | 107.2 | F75 | F75-L77 PolarHBondContact O-N 3.48Š| ||
| 78 | S | 32.9 | Very low | 32.1 | Very low | 116 Ų | 116 | 158.6 Ų | 158.6 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | trans | -118.3 | 127.3 | 164.1 | -142.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 79 | S | 34 | Very low | 32.2 | Very low | 106 Ų | 106 | 153.2 Ų | 153.2 | 74% | 0.741 | 83% | 0.829 | S | S | * | * | trans | -42.4 | 150 | 176.5 | 47.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 80 | D | 26.7 | Very low | 32.2 | Very low | 166 Ų | 166 | 152.9 Ų | 152.9 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | trans | -40 | 134.4 | 164 | -71.7 | -47.8 | 0 | 0 | 0 | 114.8 | ||||
| 81 | S | 34.4 | Very low | 32.3 | Very low | 110 Ų | 110 | 149 Ų | 149 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | trans | -150 | 112.5 | 142.7 | 63.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 82 | S | 30.4 | Very low | 32.3 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | trans | -34.8 | 130.3 | 167.3 | 47.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 83 | N | 34.9 | Very low | 32.8 | Very low | 164 Ų | 164 | 146 Ų | 146 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | trans | -158.6 | 127 | 138 | -94.8 | -27.7 | 0 | 0 | 0 | 111.3 | ||||
| 84 | H | 31.5 | Very low | 32.9 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -55.6 | 127.6 | 177.7 | -79.5 | -88.3 | 0 | 0 | 0 | 113 | ||||
| 85 | V | 34.5 | Very low | 32.9 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | trans | -142.9 | 112.2 | 143.8 | -178.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 86 | T | 29.4 | Very low | 33.5 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 73% | 0.73 | 81% | 0.808 | S | S | * | * | trans | -69.7 | 128.9 | 168 | 37 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 87 | T | 34.8 | Very low | 33.7 | Very low | 137 Ų | 137 | 143 Ų | 143 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -149.7 | 133.3 | 146.1 | 32.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 88 | N | 34.8 | Very low | 34.3 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -71 | 150.2 | -170 | -64.1 | -45.3 | 0 | 0 | 0 | 114.2 | ||||
| 89 | A | 35.1 | Very low | 34.6 | Very low | 93 Ų | 93 | 142.3 Ų | 142.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | 147.9 | 93.4 | 116.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 90 | Y | 30.4 | Very low | 35 | Very low | 232 Ų | 232 | 140.2 Ų | 140.2 | 91% | 0.91 | 78% | 0.776 | S | S | * | * | trans | -64 | 131 | 159.1 | -126.4 | -104 | 0 | 0 | 0 | 109 | ||||
| 91 | T | 37.9 | Very low | 35.6 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | trans | -123.2 | 125.5 | 161.3 | 15 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 92 | P | 37.1 | Very low | 35.9 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 74% | 0.74 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 136.7 | -177.6 | 29.9 | -30.1 | 0 | 0 | 0 | 111.1 | ||
| 93 | Q | 36.3 | Very low | 36.6 | Very low | 189 Ų | 189 | 134.3 Ų | 134.3 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 133.6 | 170.2 | -78.6 | -167.3 | -36.9 | 0 | 0 | 110.8 | ||
| 94 | P | 40.9 | Very low | 37.1 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 60% | 0.597 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 121.4 | 169.7 | 30.6 | -28.5 | 0 | 0 | 0 | 110.1 | W96 | P94-W96 VanDerWaalsContact O-CD1 3.31Å; P94-W96 PolarHBondContact O-N 2.76Å |
| 95 | T | 34 | Very low | 37.5 | Very low | 140 Ų | 140 | 130 Ų | 130 | 86% | 0.859 | 72% | 0.722 | S | S | * | * | trans | -69.9 | 113.2 | 168.4 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 96 | W | 38.3 | Very low | 37.9 | Very low | 211 Ų | 211 | 130.8 Ų | 130.8 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | trans | -102.4 | 115.7 | 174.1 | -69.8 | 95.2 | 0 | 0 | 0 | 110.3 | P94 | P94-W96 VanDerWaalsContact O-CD1 3.31Å; P94-W96 PolarHBondContact O-N 2.76Å | ||
| 97 | N | 34.1 | Very low | 38.6 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | trans | -75.7 | 121.1 | 173.8 | -110.2 | -20.2 | 0 | 0 | 0 | 109.5 | N99 S100 | N97-N99 PolarHBondContact O-N 3.34Å; N97-S100 PolarHBondContact O-OG 3.1Å | ||
| 98 | L | 37 | Very low | 38.8 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 76% | 0.759 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -7.8 | -179.1 | -134.1 | 86.6 | 0 | 0 | 0 | 113.9 | ||
| 99 | N | 39.9 | Very low | 39 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 69% | 0.69 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -16.1 | -176.4 | -75.5 | -0.8 | 0 | 0 | 0 | 114.2 | N97 T103 | N97-N99 PolarHBondContact O-N 3.34Å; N99-T103 PolarHBondContact O-OG1 3.03Å |
| 100 | S | 41.9 | Very low | 39.5 | Very low | 63 Ų | 63 | 129.1 Ų | 129.1 | 44% | 0.441 | 70% | 0.7 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.6 | -17.1 | -179.2 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | N97 T103 | N97-S100 PolarHBondContact O-OG 3.1Å; S100-T103 PolarHBondContact O-OG1 3.47Å |
| 101 | S | 39.5 | Very low | 40.1 | Very low | 82 Ų | 82 | 123.6 Ų | 123.6 | 57% | 0.573 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -11 | 180 | -46 | 0 | 0 | 0 | 0 | 113.3 | ||
| 102 | V | 41.6 | Very low | 40.1 | Very low | 86 Ų | 86 | 127 Ų | 127 | 52% | 0.521 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.2 | -23.4 | 177 | -179.5 | 0 | 0 | 0 | 0 | 111 | ||
| 103 | T | 45 | Very low | 40.2 | Very low | 88 Ų | 88 | 127.3 Ų | 127.3 | 54% | 0.54 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.1 | -27.8 | 176.1 | 33.8 | 0 | 0 | 0 | 0 | 113.7 | N99 S100 H106 | N99-T103 PolarHBondContact O-OG1 3.03Å; S100-T103 PolarHBondContact O-OG1 3.47Å; T103-H106 PolarHBondContact O-N 3.02Å |
| 104 | D | 45.4 | Very low | 40.5 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 64% | 0.642 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -26.8 | 179.7 | -68.6 | -25.4 | 0 | 0 | 0 | 112.8 | H106 S107 | D104-H106 VanDerWaalsContact C-N 3.34Å; D104-S107 PolarHBondContact O-OG 3.46Å |
| 105 | L | 39 | Very low | 40.3 | Very low | 134 Ų | 134 | 130.1 Ų | 130.1 | 70% | 0.702 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -75.9 | -19.8 | 173.6 | -98.8 | 115.5 | 0 | 0 | 0 | 113.6 | S107 | L105-S107 VanDerWaalsContact C-N 3.3Š|
| 106 | H | 43.5 | Very low | 40.7 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -82.6 | -5 | 176.4 | -96.3 | -80.4 | 0 | 0 | 0 | 113.8 | T103 D104 | T103-H106 PolarHBondContact O-N 3.02Å; D104-H106 VanDerWaalsContact C-N 3.34Å |
| 107 | S | 43.5 | Very low | 40.9 | Very low | 86 Ų | 86 | 124.3 Ų | 124.3 | 60% | 0.601 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -83.3 | -8.3 | 179.8 | 69.5 | 0 | 0 | 0 | 0 | 114.3 | D104 L105 T109 | D104-S107 PolarHBondContact O-OG 3.46Å; L105-S107 VanDerWaalsContact C-N 3.3Å; S107-T109 PolarHBondContact O-N 3.09Å |
| 108 | L | 38.8 | Very low | 41.1 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | trans | -78.7 | 68.9 | 176.3 | -71.7 | 164.1 | 0 | 0 | 0 | 111 | ||||
| 109 | T | 41 | Very low | 41.2 | Very low | 120 Ų | 120 | 124.4 Ų | 124.4 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | trans | -90.3 | 111.1 | 176.9 | -33.2 | 0 | 0 | 0 | 0 | 109.2 | S107 | S107-T109 PolarHBondContact O-N 3.09Š| ||
| 110 | V | 43.8 | Very low | 41.1 | Very low | 122 Ų | 122 | 122.6 Ų | 122.6 | 74% | 0.739 | 71% | 0.713 | S | S | * | * | trans | -58.1 | 132.3 | 173 | 178.4 | 0 | 0 | 0 | 0 | 109.7 | K112 | V110-K112 PolarHBondContact O-N 3.27Š| ||
| 111 | P | 44.5 | Very low | 41.2 | Very low | 115 Ų | 115 | 128 Ų | 128 | 75% | 0.747 | 73% | 0.731 | S | S | * | * | trans | -66.4 | 118.2 | 178 | -13.2 | 26.7 | 0 | 0 | 0 | 110.3 | T113 | P111-T113 PolarHBondContact O-N 3.33Š| ||
| 112 | K | 36.9 | Very low | 41.1 | Very low | 200 Ų | 200 | 134.9 Ų | 134.9 | 87% | 0.87 | 74% | 0.744 | S | S | * | * | trans | -74 | 113.6 | 168.3 | -75.9 | -178.1 | 176.7 | 177.1 | 0 | 109.1 | V110 N114 | V110-K112 PolarHBondContact O-N 3.27Å; K112-N114 PolarHBondContact O-N 3.31Å | ||
| 113 | T | 39.6 | Very low | 40.9 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | trans | -77.5 | 115.3 | 171 | 50.9 | 0 | 0 | 0 | 0 | 110.2 | P111 | P111-T113 PolarHBondContact O-N 3.33Š| ||
| 114 | N | 43.5 | Very low | 40.8 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | trans | -83.1 | 123 | 169.2 | -87.4 | -12.8 | 0 | 0 | 0 | 110.3 | K112 | K112-N114 PolarHBondContact O-N 3.31Š| ||
| 115 | H | 36 | Very low | 40.5 | Very low | 175 Ų | 175 | 142 Ų | 142 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -82.6 | 140 | 169 | -78.1 | -79.7 | 0 | 0 | 0 | 111.3 | ||||
| 116 | S | 42.8 | Very low | 40.9 | Very low | 122 Ų | 122 | 140 Ų | 140 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -154.8 | 151.1 | 152.4 | -73.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 117 | P | 42.5 | Very low | 41.1 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | trans | -111.4 | 174.5 | -145.8 | 39.5 | -29.4 | 0 | 0 | 0 | 115.4 | ||||
| 118 | L | 37.6 | Very low | 41 | Very low | 170 Ų | 170 | 140 Ų | 140 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | 82.4 | 134.3 | 168.9 | -55.4 | 146.8 | 0 | 0 | 0 | 113.8 | ||||
| 119 | S | 38.3 | Very low | 41.3 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | cis | -165.4 | 148.9 | 16.8 | 49 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 120 | A | 39.4 | Very low | 41.9 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | trans | 53.2 | 103.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 121 | H | 44.1 | Very low | 42.3 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 82% | 0.819 | 75% | 0.753 | S | S | * | * | 177.5 | 135.8 | 101.4 | -128.4 | -65.8 | 0 | 0 | 0 | 111 | R123 | H121-R123 PolarHBondContact O-N 3.3Š| |||
| 122 | R | 35.8 | Very low | 42.7 | Very low | 226 Ų | 226 | 138.9 Ų | 138.9 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | trans | -49.4 | 126.7 | 168.1 | -72.6 | 174 | 178.7 | -171.3 | -2.8 | 111.8 | ||||
| 123 | R | 38.9 | Very low | 43.8 | Very low | 228 Ų | 228 | 133.4 Ų | 133.4 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | -179.6 | 132.7 | 122.6 | -101.4 | 172.9 | -85.8 | -170.1 | -3.4 | 112.2 | H121 | H121-R123 PolarHBondContact O-N 3.3Š| |||
| 124 | S | 41.4 | Very low | 45.1 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | trans | 75.9 | 95.5 | 151.5 | -56.5 | 0 | 0 | 0 | 0 | 119.2 | S126 | S124-S126 PolarHBondContact O-N 2.91Š| ||
| 125 | A | 39.8 | Very low | 46.1 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 93% | 0.934 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | 93.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 126 | S | 47.2 | Very low | 47.5 | Very low | 91 Ų | 91 | 124.2 Ų | 124.2 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.8 | -6.1 | 164.5 | -167.6 | 0 | 0 | 0 | 0 | 113.3 | S124 | S124-S126 PolarHBondContact O-N 2.91Š|
| 127 | Y | 46.9 | Very low | 48.9 | Very low | 179 Ų | 179 | 124 Ų | 124 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -94 | -7.2 | -176.7 | -110.6 | -95 | 0 | 0 | 0 | 114.6 | Y131 | Y127-Y131 HydrophobicContact CD1-CE2 4.4Š|
| 128 | G | 42.9 | Very low | 50.5 | Low | 60 Ų | 60 | 120.6 Ų | 120.6 | 62% | 0.619 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -80.8 | -21.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 129 | G | 43.8 | Very low | 52.3 | Low | 42 Ų | 42 | 118.1 Ų | 118.1 | 43% | 0.433 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -70.8 | -40.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | F132 T133 | G129-F132 PolarHBondContact O-N 2.79Å; G129-T133 WeakPolarHBondContact O-CG2 3.45Å; G129-T133 PolarHBondContact O-N 3.35Å; G129-T133 PolarHBondContact O-OG1 2.99Å |
| 130 | D | 53.3 | Low | 54.2 | Low | 105 Ų | 105 | 114.7 Ų | 114.7 | 56% | 0.561 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -73.6 | -31.9 | -173.9 | -62.5 | -19 | 0 | 0 | 0 | 113 | T133 F134 | D130-T133 WeakPolarHBondContact CA-OG1 3.33Å; D130-T133 PolarHBondContact O-OG1 3.48Å; D130-T133 VanDerWaalsContact O-OG1 3.06Å; D130-F134 VanDerWaalsContact O-CB 3.24Å; D130-F134 WeakPolarHBondContact O-CB 3.46Å; D130-F134 PolarHBondContact O-N 3.19Å |
| 131 | Y | 52.6 | Low | 56.3 | Low | 172 Ų | 172 | 114.8 Ų | 114.8 | 68% | 0.675 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71.9 | -37.7 | 174.8 | -87 | -86.3 | 0 | 0 | 0 | 112.4 | Y127 A135 | Y127-Y131 HydrophobicContact CD1-CE2 4.4Å; Y131-A135 WeakPolarHBondContact O-CB 3.23Å; Y131-A135 PolarHBondContact O-N 3.11Å |
| 132 | F | 53.3 | Low | 58.1 | Low | 163 Ų | 163 | 108.7 Ų | 108.7 | 72% | 0.715 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.8 | -39.7 | 178.7 | -171.3 | -96.5 | 0 | 0 | 0 | 111.6 | G129 A136 | G129-F132 PolarHBondContact O-N 2.79Å; F132-A136 VanDerWaalsContact O-CB 3.26Å; F132-A136 WeakPolarHBondContact O-CB 3.34Å; F132-A136 PolarHBondContact O-N 3.31Å |
| 133 | T | 60.9 | Low | 60.1 | Low | 85 Ų | 85 | 100.5 Ų | 100.5 | 52% | 0.521 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.9 | -38.8 | 174 | 49.6 | 0 | 0 | 0 | 0 | 112 | G129 D130 A136 H137 | G129-T133 WeakPolarHBondContact O-CG2 3.45Å; G129-T133 PolarHBondContact O-N 3.35Å; G129-T133 PolarHBondContact O-OG1 2.99Å; D130-T133 WeakPolarHBondContact CA-OG1 3.33Å; D130-T133 PolarHBondContact O-OG1 3.48Å; D130-T133 VanDerWaalsContact O-OG1 3.06Å; T133-A136 PolarHBondContact O-N 3.38Å; T133-H137 VanDerWaalsContact O-CB 3.3Å; T133-H137 WeakPolarHBondContact O-CB 3.42Å; T133-H137 PolarHBondContact O-N 3.49Å |
| 134 | F | 65.3 | Low | 62.3 | Low | 163 Ų | 163 | 93 Ų | 93 | 72% | 0.715 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65 | -44.1 | 174.9 | -172.8 | -96 | 0 | 0 | 0 | 112.5 | D130 H137 G138 | D130-F134 VanDerWaalsContact O-CB 3.24Å; D130-F134 WeakPolarHBondContact O-CB 3.46Å; D130-F134 PolarHBondContact O-N 3.19Å; F134-H137 PolarHBondContact O-N 2.98Å; F134-G138 PolarHBondContact O-N 3.33Å |
| 135 | A | 64.6 | Low | 64.5 | Low | 52 Ų | 52 | 95 Ų | 95 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.8 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y131 H137 G138 I139 | Y131-A135 WeakPolarHBondContact O-CB 3.23Å; Y131-A135 PolarHBondContact O-N 3.11Å; A135-H137 VanDerWaalsContact C-N 3.35Å; A135-G138 PolarHBondContact O-N 3.09Å; A135-I139 VanDerWaalsContact O-CG1 3.27Å; A135-I139 WeakPolarHBondContact O-CG1 3.37Å; A135-I139 PolarHBondContact O-N 3.42Å |
| 136 | A | 66 | Low | 66.6 | Low | 51 Ų | 51 | 92.5 Ų | 92.5 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | F132 T133 I139 G140 | F132-A136 VanDerWaalsContact O-CB 3.26Å; F132-A136 WeakPolarHBondContact O-CB 3.34Å; F132-A136 PolarHBondContact O-N 3.31Å; T133-A136 PolarHBondContact O-N 3.38Å; A136-I139 PolarHBondContact O-N 3.44Å; A136-G140 PolarHBondContact O-N 3.39Å |
| 137 | H | 72.6 | Confident | 68.3 | Low | 117 Ų | 117 | 92.1 Ų | 92.1 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 174.8 | -165.7 | -91.6 | 0 | 0 | 0 | 111.7 | T133 F134 A135 I139 G140 E141 | T133-H137 VanDerWaalsContact O-CB 3.3Å; T133-H137 WeakPolarHBondContact O-CB 3.42Å; T133-H137 PolarHBondContact O-N 3.49Å; F134-H137 PolarHBondContact O-N 2.98Å; A135-H137 VanDerWaalsContact C-N 3.35Å; H137-I139 VanDerWaalsContact C-N 3.35Å; H137-I139 PolarHBondContact O-N 2.99Å; H137-G140 PolarHBondContact O-N 3.17Å; H137-E141 IonicContact CE1-OE1 2.95Å; H137-E141 PolarHBondContact CE1-OE1 2.04Å; H137-E141 IonicContact ND1-OE1 3.26Å; H137-E141 PolarHBondContact ND1-OE1 3.17Å; H137-E141 PolarHBondContact O-N 3.03Å |
| 138 | G | 75.7 | Confident | 70.2 | Confident | 35 Ų | 35 | 89.2 Ų | 89.2 | 36% | 0.361 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F134 A135 A142 | F134-G138 PolarHBondContact O-N 3.33Å; A135-G138 PolarHBondContact O-N 3.09Å; G138-A142 WeakPolarHBondContact O-CB 3.27Å; G138-A142 PolarHBondContact O-N 2.9Å; G138-A142 VanDerWaalsContact O-N 3.07Å |
| 139 | I | 76.3 | Confident | 72.1 | Confident | 119 Ų | 119 | 92.4 Ų | 92.4 | 61% | 0.61 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.2 | -41.3 | 173.7 | -66.6 | 164.9 | 0 | 0 | 0 | 110.7 | A135 A136 H137 A142 A143 | A135-I139 VanDerWaalsContact O-CG1 3.27Å; A135-I139 WeakPolarHBondContact O-CG1 3.37Å; A135-I139 PolarHBondContact O-N 3.42Å; A136-I139 PolarHBondContact O-N 3.44Å; H137-I139 VanDerWaalsContact C-N 3.35Å; H137-I139 PolarHBondContact O-N 2.99Å; I139-A142 PolarHBondContact O-N 3.04Å; I139-A143 WeakPolarHBondContact O-CB 2.97Å; I139-A143 PolarHBondContact O-N 2.83Å |
| 140 | G | 77.7 | Confident | 73.8 | Confident | 35 Ų | 35 | 92.8 Ų | 92.8 | 36% | 0.361 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A136 H137 A142 A143 S144 | A136-G140 PolarHBondContact O-N 3.39Å; H137-G140 PolarHBondContact O-N 3.17Å; G140-A142 PolarHBondContact O-N 3.21Å; G140-A143 PolarHBondContact O-N 3.16Å; G140-S144 PolarHBondContact O-N 3.4Å; G140-S144 PolarHBondContact O-OG 2.97Å |
| 141 | E | 83.3 | Confident | 75.1 | Confident | 95 Ų | 95 | 93.4 Ų | 93.4 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -36.4 | 176.3 | -74.2 | -178.3 | 173.7 | 0 | 0 | 113.2 | H137 R145 | H137-E141 IonicContact CE1-OE1 2.95Å; H137-E141 PolarHBondContact CE1-OE1 2.04Å; H137-E141 IonicContact ND1-OE1 3.26Å; H137-E141 PolarHBondContact ND1-OE1 3.17Å; H137-E141 PolarHBondContact O-N 3.03Å; E141-R145 WeakPolarHBondContact O-CB 3.47Å; E141-R145 WeakPolarHBondContact O-CG 3.24Å; E141-R145 PolarHBondContact O-N 3.33Å; E141-R145 PolarHBondContact O-NE 3.23Å |
| 142 | A | 82.6 | Confident | 76.5 | Confident | 48 Ų | 48 | 91.6 Ų | 91.6 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | G138 I139 G140 A146 | G138-A142 WeakPolarHBondContact O-CB 3.27Å; G138-A142 PolarHBondContact O-N 2.9Å; G138-A142 VanDerWaalsContact O-N 3.07Å; I139-A142 PolarHBondContact O-N 3.04Å; G140-A142 PolarHBondContact O-N 3.21Å; A142-A146 WeakPolarHBondContact O-CB 2.93Å; A142-A146 PolarHBondContact O-N 2.85Å |
| 143 | A | 77.5 | Confident | 77.6 | Confident | 54 Ų | 54 | 88.7 Ų | 88.7 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -46.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I139 G140 R145 A146 V147 | I139-A143 WeakPolarHBondContact O-CB 2.97Å; I139-A143 PolarHBondContact O-N 2.83Å; G140-A143 PolarHBondContact O-N 3.16Å; A143-R145 PolarHBondContact O-N 3.13Å; A143-A146 PolarHBondContact O-N 3.41Å; A143-V147 WeakPolarHBondContact O-CG2 3.43Å; A143-V147 PolarHBondContact O-N 3.46Å |
| 144 | S | 84.6 | Confident | 78.1 | Confident | 72 Ų | 72 | 89.3 Ų | 89.3 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 177 | -64 | 0 | 0 | 0 | 0 | 112.1 | G140 A146 V147 E148 | G140-S144 PolarHBondContact O-N 3.4Å; G140-S144 PolarHBondContact O-OG 2.97Å; S144-A146 VanDerWaalsContact C-N 3.32Å; S144-A146 PolarHBondContact O-N 3.27Å; S144-V147 PolarHBondContact O-N 3.34Å; S144-E148 PolarHBondContact O-N 2.92Å |
| 145 | R | 87.6 | Confident | 78.3 | Confident | 144 Ų | 144 | 85.3 Ų | 85.3 | 54% | 0.543 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 175.6 | -77.6 | -175.5 | -76.8 | 177.4 | -9.4 | 112.8 | E141 A143 H149 | E141-R145 WeakPolarHBondContact O-CB 3.47Å; E141-R145 WeakPolarHBondContact O-CG 3.24Å; E141-R145 PolarHBondContact O-N 3.33Å; E141-R145 PolarHBondContact O-NE 3.23Å; A143-R145 PolarHBondContact O-N 3.13Å; R145-H149 WeakPolarHBondContact O-CB 3.31Å; R145-H149 PolarHBondContact O-N 2.96Å; R145-H149 PolarHBondContact O-ND1 3.46Å |
| 146 | A | 83.8 | Confident | 78.5 | Confident | 61 Ų | 61 | 87.4 Ų | 87.4 | 50% | 0.504 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.5 | -38.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | A142 A143 S144 A150 | A142-A146 WeakPolarHBondContact O-CB 2.93Å; A142-A146 PolarHBondContact O-N 2.85Å; A143-A146 PolarHBondContact O-N 3.41Å; S144-A146 VanDerWaalsContact C-N 3.32Å; S144-A146 PolarHBondContact O-N 3.27Å; A146-A150 VanDerWaalsContact O-CB 3.31Å; A146-A150 WeakPolarHBondContact O-CB 3.14Å; A146-A150 PolarHBondContact O-N 3.23Å |
| 147 | V | 83.7 | Confident | 78.5 | Confident | 82 Ų | 82 | 88 Ų | 88 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 173.8 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | A143 S144 H149 A150 E151 | A143-V147 WeakPolarHBondContact O-CG2 3.43Å; A143-V147 PolarHBondContact O-N 3.46Å; S144-V147 PolarHBondContact O-N 3.34Å; V147-H149 PolarHBondContact O-N 2.86Å; V147-A150 WeakPolarHBondContact O-CB 3.46Å; V147-A150 PolarHBondContact O-N 3.47Å; V147-A150 VanDerWaalsContact O-N 3.14Å; V147-E151 HydrophobicContact CG1-CG 4.46Å; V147-E151 WeakPolarHBondContact O-CG 3.36Å; V147-E151 PolarHBondContact O-N 3.36Å |
| 148 | E | 86.2 | Confident | 78 | Confident | 118 Ų | 118 | 91 Ų | 91 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.3 | -45.4 | 176.7 | -74.8 | 175.9 | 174.8 | 0 | 0 | 112.1 | S144 A150 E151 E152 | S144-E148 PolarHBondContact O-N 2.92Å; E148-A150 VanDerWaalsContact C-N 3.32Å; E148-A150 PolarHBondContact O-N 3.14Å; E148-E151 PolarHBondContact O-N 3.29Å; E148-E152 PolarHBondContact O-N 3.48Å |
| 149 | H | 83.5 | Confident | 77.3 | Confident | 127 Ų | 127 | 97.1 Ų | 97.1 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.9 | -36.9 | 175.6 | -81.8 | 70.2 | 0 | 0 | 0 | 112.4 | R145 V147 L153 | R145-H149 WeakPolarHBondContact O-CB 3.31Å; R145-H149 PolarHBondContact O-N 2.96Å; R145-H149 PolarHBondContact O-ND1 3.46Å; V147-H149 PolarHBondContact O-N 2.86Å; H149-L153 VanDerWaalsContact O-CB 3.24Å; H149-L153 WeakPolarHBondContact O-CB 3.4Å; H149-L153 PolarHBondContact O-N 2.91Å |
| 150 | A | 79.1 | Confident | 76.7 | Confident | 50 Ų | 50 | 99.2 Ų | 99.2 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A146 V147 E148 L153 V154 | A146-A150 VanDerWaalsContact O-CB 3.31Å; A146-A150 WeakPolarHBondContact O-CB 3.14Å; A146-A150 PolarHBondContact O-N 3.23Å; V147-A150 WeakPolarHBondContact O-CB 3.46Å; V147-A150 PolarHBondContact O-N 3.47Å; V147-A150 VanDerWaalsContact O-N 3.14Å; E148-A150 VanDerWaalsContact C-N 3.32Å; E148-A150 PolarHBondContact O-N 3.14Å; A150-L153 PolarHBondContact O-N 3.34Å; A150-V154 WeakPolarHBondContact O-CB 2.97Å; A150-V154 WeakPolarHBondContact O-CG2 3Å; A150-V154 PolarHBondContact O-N 3.36Å |
| 151 | E | 81.1 | Confident | 76.8 | Confident | 118 Ų | 118 | 98.4 Ų | 98.4 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.2 | -46.4 | 174.9 | -73.1 | -173.2 | 169.6 | 0 | 0 | 111.8 | V147 E148 L153 V154 I155 | V147-E151 HydrophobicContact CG1-CG 4.46Å; V147-E151 WeakPolarHBondContact O-CG 3.36Å; V147-E151 PolarHBondContact O-N 3.36Å; E148-E151 PolarHBondContact O-N 3.29Å; E151-L153 VanDerWaalsContact C-N 3.35Å; E151-L153 PolarHBondContact O-N 3.49Å; E151-V154 PolarHBondContact O-N 2.92Å; E151-I155 VanDerWaalsContact O-CG1 3.3Å; E151-I155 WeakPolarHBondContact O-CG1 3.31Å; E151-I155 PolarHBondContact O-N 3.47Å |
| 152 | E | 80.8 | Confident | 77.2 | Confident | 134 Ų | 134 | 95.1 Ų | 95.1 | 63% | 0.626 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.9 | -41.5 | 175.7 | -76.1 | -167.1 | 164.3 | 0 | 0 | 112.1 | E148 I155 H156 | E148-E152 PolarHBondContact O-N 3.48Å; E152-I155 PolarHBondContact O-N 2.98Å; E152-H156 VanDerWaalsContact O-CB 3.23Å; E152-H156 WeakPolarHBondContact O-CB 3.02Å; E152-H156 PolarHBondContact O-N 3.29Å |
| 153 | L | 76.8 | Confident | 77.6 | Confident | 103 Ų | 103 | 102.8 Ų | 102.8 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 175 | -179.1 | 64.9 | 0 | 0 | 0 | 110.9 | H149 A150 E151 H156 L157 | H149-L153 VanDerWaalsContact O-CB 3.24Å; H149-L153 WeakPolarHBondContact O-CB 3.4Å; H149-L153 PolarHBondContact O-N 2.91Å; A150-L153 PolarHBondContact O-N 3.34Å; E151-L153 VanDerWaalsContact C-N 3.35Å; E151-L153 PolarHBondContact O-N 3.49Å; L153-H156 PolarHBondContact O-N 2.95Å; L153-L157 HydrophobicContact CD1-CD1 4Å; L153-L157 HydrophobicContact CD1-CG 4.08Å; L153-L157 HydrophobicContact CD2-CD1 4.48Å; L153-L157 HydrophobicContact CG-CD1 3.81Å; L153-L157 HydrophobicContact CG-CG 4.3Å; L153-L157 WeakPolarHBondContact O-CB 3.36Å; L153-L157 WeakPolarHBondContact O-CG 3.37Å; L153-L157 PolarHBondContact O-N 3.47Å |
| 154 | V | 72 | Confident | 78.5 | Confident | 98 Ų | 98 | 103.5 Ų | 103.5 | 59% | 0.594 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -46.1 | 176.4 | 167.8 | 0 | 0 | 0 | 0 | 110.6 | A150 E151 L157 W158 | A150-V154 WeakPolarHBondContact O-CB 2.97Å; A150-V154 WeakPolarHBondContact O-CG2 3Å; A150-V154 PolarHBondContact O-N 3.36Å; E151-V154 PolarHBondContact O-N 2.92Å; V154-L157 PolarHBondContact O-N 2.94Å; V154-W158 WeakPolarHBondContact O-CB 3.26Å; V154-W158 PolarHBondContact O-N 3.35Å |
| 155 | I | 69.8 | Low | 79 | Confident | 79 Ų | 79 | 101.9 Ų | 101.9 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 177.4 | -67.3 | 167.1 | 0 | 0 | 0 | 110.9 | E151 E152 W158 K159 | E151-I155 VanDerWaalsContact O-CG1 3.3Å; E151-I155 WeakPolarHBondContact O-CG1 3.31Å; E151-I155 PolarHBondContact O-N 3.47Å; E152-I155 PolarHBondContact O-N 2.98Å; I155-W158 PolarHBondContact O-N 3.01Å; I155-K159 HydrophobicContact CG2-CD 4.04Å; I155-K159 HydrophobicContact CG2-CG 4.39Å; I155-K159 WeakPolarHBondContact O-CB 3.27Å; I155-K159 WeakPolarHBondContact O-CG 3.36Å; I155-K159 PolarHBondContact O-N 3.47Å |
| 156 | H | 68.7 | Low | 79.5 | Confident | 96 Ų | 96 | 98 Ų | 98 | 44% | 0.444 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 178.7 | -170.4 | 82.6 | 0 | 0 | 0 | 111.3 | E152 L153 W158 K159 K160 | E152-H156 VanDerWaalsContact O-CB 3.23Å; E152-H156 WeakPolarHBondContact O-CB 3.02Å; E152-H156 PolarHBondContact O-N 3.29Å; L153-H156 PolarHBondContact O-N 2.95Å; H156-W158 VanDerWaalsContact C-N 3.31Å; H156-W158 PolarHBondContact O-N 2.61Å; H156-K159 PolarHBondContact O-N 3.29Å; H156-K160 WeakPolarHBondContact NE2-CD 3.18Å; H156-K160 VanDerWaalsContact NE2-CE 3.33Å; H156-K160 WeakPolarHBondContact NE2-CE 3.34Å; H156-K160 PolarHBondContact NE2-NZ 2.88Å; H156-K160 WeakPolarHBondContact O-CB 3.02Å; H156-K160 PolarHBondContact O-N 2.93Å |
| 157 | L | 64.4 | Low | 80.1 | Confident | 63 Ų | 63 | 95.7 Ų | 95.7 | 33% | 0.33 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.1 | -35.4 | 173.8 | -71 | 173.1 | 0 | 0 | 0 | 111.7 | L153 V154 G161 | L153-L157 HydrophobicContact CD1-CD1 4Å; L153-L157 HydrophobicContact CD1-CG 4.08Å; L153-L157 HydrophobicContact CD2-CD1 4.48Å; L153-L157 HydrophobicContact CG-CD1 3.81Å; L153-L157 HydrophobicContact CG-CG 4.3Å; L153-L157 WeakPolarHBondContact O-CB 3.36Å; L153-L157 WeakPolarHBondContact O-CG 3.37Å; L153-L157 PolarHBondContact O-N 3.47Å; V154-L157 PolarHBondContact O-N 2.94Å; L157-G161 PolarHBondContact O-N 3.44Å |
| 158 | W | 63.7 | Low | 80.6 | Confident | 179 Ų | 179 | 98 Ų | 98 | 68% | 0.678 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -69.7 | -38.9 | 175.8 | -166.8 | 38.5 | 0 | 0 | 0 | 112.1 | V154 I155 H156 G161 | V154-W158 WeakPolarHBondContact O-CB 3.26Å; V154-W158 PolarHBondContact O-N 3.35Å; I155-W158 PolarHBondContact O-N 3.01Å; H156-W158 VanDerWaalsContact C-N 3.31Å; H156-W158 PolarHBondContact O-N 2.61Å; W158-G161 PolarHBondContact O-N 3.48Å |
| 159 | K | 60.2 | Low | 81 | Confident | 164 Ų | 164 | 96.6 Ų | 96.6 | 71% | 0.713 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -74.4 | -35.8 | 177.1 | -75.3 | -179.9 | 179.2 | 175.8 | 0 | 113.7 | I155 H156 G161 | I155-K159 HydrophobicContact CG2-CD 4.04Å; I155-K159 HydrophobicContact CG2-CG 4.39Å; I155-K159 WeakPolarHBondContact O-CB 3.27Å; I155-K159 WeakPolarHBondContact O-CG 3.36Å; I155-K159 PolarHBondContact O-N 3.47Å; H156-K159 PolarHBondContact O-N 3.29Å; K159-G161 VanDerWaalsContact C-N 3.26Å |
| 160 | K | 64.7 | Low | 81.6 | Confident | 163 Ų | 163 | 90.9 Ų | 90.9 | 71% | 0.709 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -74.3 | -18.7 | 171.4 | -94.5 | -176 | 174.9 | 159.5 | 0 | 112.8 | H156 | H156-K160 WeakPolarHBondContact NE2-CD 3.18Å; H156-K160 VanDerWaalsContact NE2-CE 3.33Å; H156-K160 WeakPolarHBondContact NE2-CE 3.34Å; H156-K160 PolarHBondContact NE2-NZ 2.88Å; H156-K160 WeakPolarHBondContact O-CB 3.02Å; H156-K160 PolarHBondContact O-N 2.93Å |
| 161 | G | 79 | Confident | 82.3 | Confident | 18 Ų | 18 | 90.5 Ų | 90.5 | 19% | 0.186 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -72.7 | 164.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L157 W158 K159 | L157-G161 PolarHBondContact O-N 3.44Å; W158-G161 PolarHBondContact O-N 3.48Å; K159-G161 VanDerWaalsContact C-N 3.26Å |
| 162 | W | 90.8 | Very high | 82.9 | Confident | 27 Ų | 27 | 92.9 Ų | 92.9 | 10% | 0.102 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 151.2 | 168.3 | 59.3 | -93.6 | 0 | 0 | 0 | 111.1 | V164 R185 P186 L188 R200 H202 | W162-V164 HydrophobicContact CH2-CG1 4.2Å; W162-V164 HydrophobicContact CZ3-CB 4.44Å; W162-V164 HydrophobicContact CZ3-CG1 3.64Å; W162-R185 HydrophobicContact CH2-CB 4.41Å; W162-R185 HydrophobicContact CH2-CG 3.39Å; W162-R185 HydrophobicContact CZ2-CG 3.8Å; W162-R185 HydrophobicContact CZ3-CB 4.36Å; W162-R185 HydrophobicContact CZ3-CG 3.77Å; W162-P186 HydrophobicContact CB-CG 3.87Å; W162-P186 HydrophobicContact CD2-CG 4.33Å; W162-P186 HydrophobicContact CE3-CG 3.97Å; W162-P186 HydrophobicContact CG-CG 4.33Å; W162-L188 HydrophobicContact CB-CD2 3.79Å; W162-L188 HydrophobicContact CD2-CD1 4.2Å; W162-L188 HydrophobicContact CD2-CD2 4.28Å; W162-L188 HydrophobicContact CG-CD1 4.17Å; W162-L188 HydrophobicContact CG-CD2 3.6Å; W162-L188 HydrophobicContact CG-CG 4.5Å; W162-R200 VanDerWaalsContact CD2-NH1 3.31Å; W162-R200 HydrophobicContact CZ2-CB 4.27Å; W162-R200 VanDerWaalsContact O-CZ 3.25Å; W162-R200 PolarHBondContact O-NH1 3.38Å; W162-R200 PolarHBondContact O-NH2 3.4Å; W162-H202 HydrophobicContact CH2-CB 4.27Å; W162-H202 AromaticContact CH2-CD2 3.9Å |
| 163 | R | 92.3 | Very high | 83.5 | Confident | 208 Ų | 208 | 88.9 Ų | 88.9 | 79% | 0.785 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -102.9 | 147.9 | 172.1 | -59.8 | -174.8 | -142.7 | -177.2 | 7.8 | 110 | ||
| 164 | V | 95 | Very high | 84.4 | Confident | 69 Ų | 69 | 84.3 Ų | 84.3 | 42% | 0.418 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 144.2 | 171.5 | -69.9 | 0 | 0 | 0 | 0 | 110.2 | W162 H184 H202 | W162-V164 HydrophobicContact CH2-CG1 4.2Å; W162-V164 HydrophobicContact CZ3-CB 4.44Å; W162-V164 HydrophobicContact CZ3-CG1 3.64Å; V164-H184 CarbonylContact C-O 3.56Å; V164-H184 WeakPolarHBondContact CA-O 3.48Å; V164-H202 HydrophobicContact CG1-CB 4.32Å |
| 165 | V | 96 | Very high | 85.5 | Confident | 39 Ų | 39 | 84.4 Ų | 84.4 | 24% | 0.236 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -117.1 | 162.4 | -176.8 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | L170 H184 P186 | V165-L170 HydrophobicContact CG2-CD2 3.65Å; V165-L170 HydrophobicContact CG2-CG 4.27Å; V165-H184 HydrophobicContact CG2-CB 4.15Å; V165-H184 PolarHBondContact N-O 2.93Å; V165-H184 PolarHBondContact O-N 3.19Å; V165-P186 HydrophobicContact CG1-CB 4.1Å; V165-P186 HydrophobicContact CG2-CB 4.42Å |
| 166 | H | 97.1 | Very high | 86.6 | Confident | 62 Ų | 62 | 82.7 Ų | 82.7 | 29% | 0.287 | 39% | 0.385 | S | S | . | . | trans | -76.6 | 149.4 | 171.6 | -166 | -69.8 | 0 | 0 | 0 | 110.2 | H168 S169 L181 | H166-H168 VanDerWaalsContact C-N 3.33Å; H166-H168 AromaticContact CE1-CE1 3.71Å; H166-H168 AromaticContact CE1-ND1 3.05Å; H166-H168 PolarHBondContact CE1-ND1 2.98Å; H166-H168 AromaticContact ND1-CG 3.86Å; H166-H168 PolarHBondContact ND1-N 2.7Å; H166-H168 AromaticContact ND1-ND1 3.18Å; H166-H168 PolarHBondContact ND1-ND1 3.45Å; H166-H168 VanDerWaalsContact ND1-ND1 3.18Å; H166-H168 PolarHBondContact O-N 3.26Å; H166-S169 WeakPolarHBondContact O-CB 3.37Å; H166-S169 PolarHBondContact O-N 2.97Å; H166-L181 CarbonylContact C-O 3.53Å; H166-L181 WeakPolarHBondContact CA-O 3.31Å; H166-L181 PolarHBondContact CD2-O 3.02Å; H166-L181 PolarHBondContact CE1-O 3.11Å; H166-L181 PolarHBondContact ND1-O 2.95Å | ||
| 167 | H | 96.3 | Very high | 87.8 | Confident | 13 Ų | 13 | 78.6 Ų | 78.6 | 6% | 0.06 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -50 | -47.7 | 179.8 | -175.7 | 86.3 | 0 | 0 | 0 | 113.5 | S169 L170 N177 L180 L181 H184 | H167-S169 PolarHBondContact O-N 3.28Å; H167-S169 VanDerWaalsContact O-N 3.1Å; H167-L170 VanDerWaalsContact O-CB 3.31Å; H167-L170 WeakPolarHBondContact O-CB 3.29Å; H167-L170 PolarHBondContact O-N 3.44Å; H167-N177 PolarHBondContact CE1-O 3.17Å; H167-N177 VanDerWaalsContact CE1-O 3.26Å; H167-N177 PolarHBondContact ND1-O 2.9Å; H167-L180 WeakPolarHBondContact CB-O 3.46Å; H167-L181 PolarHBondContact N-O 3.18Å; H167-H184 AromaticContact ND1-NE2 3.78Å |
| 168 | H | 95 | Very high | 89.3 | Confident | 131 Ų | 131 | 79.8 Ų | 79.8 | 61% | 0.606 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -56 | -22.4 | 174.9 | -63 | 109.4 | 0 | 0 | 0 | 115.5 | H166 R175 | H166-H168 VanDerWaalsContact C-N 3.33Å; H166-H168 AromaticContact CE1-CE1 3.71Å; H166-H168 AromaticContact CE1-ND1 3.05Å; H166-H168 PolarHBondContact CE1-ND1 2.98Å; H166-H168 AromaticContact ND1-CG 3.86Å; H166-H168 PolarHBondContact ND1-N 2.7Å; H166-H168 AromaticContact ND1-ND1 3.18Å; H166-H168 PolarHBondContact ND1-ND1 3.45Å; H166-H168 VanDerWaalsContact ND1-ND1 3.18Å; H166-H168 PolarHBondContact O-N 3.26Å; H168-R175 PolarHBondContact O-NH2 3.28Å |
| 169 | S | 94.7 | Very high | 90.9 | Very high | 88 Ų | 88 | 73.1 Ų | 73.1 | 62% | 0.615 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -87.5 | -7.9 | 178.4 | -53 | 0 | 0 | 0 | 0 | 113.1 | H166 H167 | H166-S169 WeakPolarHBondContact O-CB 3.37Å; H166-S169 PolarHBondContact O-N 2.97Å; H167-S169 PolarHBondContact O-N 3.28Å; H167-S169 VanDerWaalsContact O-N 3.1Å |
| 170 | L | 95.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 65.7 Ų | 65.7 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -74 | 148.6 | 179.6 | -67.5 | 172.7 | 0 | 0 | 0 | 111.7 | V165 H167 L174 R175 H184 R185 | V165-L170 HydrophobicContact CG2-CD2 3.65Å; V165-L170 HydrophobicContact CG2-CG 4.27Å; H167-L170 VanDerWaalsContact O-CB 3.31Å; H167-L170 WeakPolarHBondContact O-CB 3.29Å; H167-L170 PolarHBondContact O-N 3.44Å; L170-L174 HydrophobicContact CB-CB 4.19Å; L170-L174 HydrophobicContact CD1-CB 4.33Å; L170-L174 HydrophobicContact CD2-CB 4.33Å; L170-L174 HydrophobicContact CD2-CD1 4.2Å; L170-R175 HydrophobicContact CB-CG 3.97Å; L170-R175 VanDerWaalsContact O-CZ 3.25Å; L170-R175 PolarHBondContact O-NE 2.9Å; L170-R175 PolarHBondContact O-NH2 3.45Å; L170-H184 HydrophobicContact CD1-CB 3.86Å; L170-H184 HydrophobicContact CD2-CB 4Å; L170-H184 HydrophobicContact CG-CB 4.24Å; L170-R185 WeakPolarHBondContact CD2-O 3.31Å |
| 171 | P | 95.2 | Very high | 94.2 | Very high | 43 Ų | 43 | 60.3 Ų | 60.3 | 28% | 0.279 | 30% | 0.296 | S | S | . | . | trans | -62.5 | 151.7 | 165.1 | 30.5 | -36 | 0 | 0 | 0 | 110.4 | W173 L174 | P171-W173 VanDerWaalsContact C-N 3.25Å; P171-W173 HydrophobicContact CG-CZ2 4.35Å; P171-W173 PolarHBondContact O-N 3.4Å; P171-W173 VanDerWaalsContact O-N 3.13Å; P171-L174 HydrophobicContact CG-CB 4.21Å; P171-L174 HydrophobicContact CG-CD1 3.76Å; P171-L174 HydrophobicContact CG-CG 4.07Å; P171-L174 PolarHBondContact O-N 2.86Å | ||
| 172 | H | 93.8 | Very high | 95 | Very high | 167 Ų | 167 | 67.7 Ų | 67.7 | 77% | 0.773 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -53.2 | -39.6 | -172 | -177.1 | -83.7 | 0 | 0 | 0 | 113.6 | L174 R175 | H172-L174 PolarHBondContact O-N 3.29Å; H172-R175 PolarHBondContact O-N 3.47Å; H172-R175 VanDerWaalsContact O-N 3.13Å |
| 173 | W | 93.7 | Very high | 95.3 | Very high | 50 Ų | 50 | 66.9 Ų | 66.9 | 19% | 0.189 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -68.2 | -14.7 | -178.7 | 69 | -93.1 | 0 | 0 | 0 | 114.5 | P171 Q187 Y262 S265 E266 | P171-W173 VanDerWaalsContact C-N 3.25Å; P171-W173 HydrophobicContact CG-CZ2 4.35Å; P171-W173 PolarHBondContact O-N 3.4Å; P171-W173 VanDerWaalsContact O-N 3.13Å; W173-Q187 HydrophobicContact CZ2-CG 4.02Å; W173-Y262 VanDerWaalsContact CH2-O 3.27Å; W173-Y262 WeakPolarHBondContact CH2-O 3.34Å; W173-Y262 WeakPolarHBondContact CZ3-O 3.45Å; W173-S265 VanDerWaalsContact CH2-C 3.4Å; W173-E266 HydrophobicContact CB-CB 4.43Å; W173-E266 HydrophobicContact CB-CG 3.91Å; W173-E266 HydrophobicContact CD2-CB 3.88Å; W173-E266 HydrophobicContact CD2-CG 4.26Å; W173-E266 HydrophobicContact CE3-CB 4.35Å; W173-E266 HydrophobicContact CG-CB 3.87Å; W173-E266 HydrophobicContact CG-CG 3.91Å |
| 174 | L | 95.9 | Very high | 95.5 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -95.6 | -8.4 | 173.8 | -75.9 | 178.1 | 0 | 0 | 0 | 113.6 | L170 P171 H172 D176 Y262 | L170-L174 HydrophobicContact CB-CB 4.19Å; L170-L174 HydrophobicContact CD1-CB 4.33Å; L170-L174 HydrophobicContact CD2-CB 4.33Å; L170-L174 HydrophobicContact CD2-CD1 4.2Å; P171-L174 HydrophobicContact CG-CB 4.21Å; P171-L174 HydrophobicContact CG-CD1 3.76Å; P171-L174 HydrophobicContact CG-CG 4.07Å; P171-L174 PolarHBondContact O-N 2.86Å; H172-L174 PolarHBondContact O-N 3.29Å; L174-D176 VanDerWaalsContact C-N 3.33Å; L174-D176 PolarHBondContact O-N 2.93Å; L174-Y262 WeakPolarHBondContact CA-OH 3.22Å; L174-Y262 HydrophobicContact CD2-CD1 4.02Å; L174-Y262 HydrophobicContact CD2-CD2 4.11Å; L174-Y262 HydrophobicContact CD2-CE1 3.74Å; L174-Y262 HydrophobicContact CD2-CE2 3.85Å; L174-Y262 HydrophobicContact CD2-CG 4.19Å; L174-Y262 WeakPolarHBondContact CD2-O 3.31Å; L174-Y262 PolarHBondContact O-OH 3.45Å |
| 175 | R | 94 | Very high | 95.6 | Very high | 100 Ų | 100 | 54.9 Ų | 54.9 | 38% | 0.377 | 27% | 0.266 | S | S | . | . | trans | -84.4 | 70 | -176.5 | -63.6 | -177 | -168.5 | -175.4 | 0.6 | 111.8 | H168 L170 H172 | H168-R175 PolarHBondContact O-NH2 3.28Å; L170-R175 HydrophobicContact CB-CG 3.97Å; L170-R175 VanDerWaalsContact O-CZ 3.25Å; L170-R175 PolarHBondContact O-NE 2.9Å; L170-R175 PolarHBondContact O-NH2 3.45Å; H172-R175 PolarHBondContact O-N 3.47Å; H172-R175 VanDerWaalsContact O-N 3.13Å | ||
| 176 | D | 92.2 | Very high | 95.6 | Very high | 43 Ų | 43 | 54.4 Ų | 54.4 | 23% | 0.23 | 26% | 0.264 | C | S | . | . | trans | -77.6 | -52.7 | -180 | -177.5 | 64.4 | 0 | 0 | 0 | 112.7 | L174 P329 R332 | L174-D176 VanDerWaalsContact C-N 3.33Å; L174-D176 PolarHBondContact O-N 2.93Å; D176-P329 WeakPolarHBondContact O-CB 3.49Å; D176-R332 VanDerWaalsContact C-NH2 3.34Å; D176-R332 PolarHBondContact O-NH2 3.41Å; D176-R332 IonicContact OD1-CZ 2.69Å; D176-R332 IonicContact OD1-NH2 3.65Å; D176-R332 PolarHBondContact OD1-NH2 3.03Å; D176-R332 IonicContact OD2-CZ 2.67Å; D176-R332 IonicContact OD2-NH2 3.57Å; D176-R332 PolarHBondContact OD2-NH2 3.16Å | ||
| 177 | N | 95.2 | Very high | 95.6 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.053 | 27% | 0.269 | C | S | . | . | trans | -122.8 | 110.7 | -176 | -168.6 | 3.5 | 0 | 0 | 0 | 111.1 | H167 F179 L180 R388 E391 | H167-N177 PolarHBondContact CE1-O 3.17Å; H167-N177 VanDerWaalsContact CE1-O 3.26Å; H167-N177 PolarHBondContact ND1-O 2.9Å; N177-F179 VanDerWaalsContact C-N 3.27Å; N177-F179 PolarHBondContact O-N 3.45Å; N177-F179 WeakPolarHBondContact OD1-CD2 3.46Å; N177-F179 PolarHBondContact OD1-N 3.39Å; N177-L180 HydrophobicContact CB-CD1 4.06Å; N177-L180 HydrophobicContact CB-CG 4.19Å; N177-L180 PolarHBondContact O-N 2.96Å; N177-R388 WeakPolarHBondContact OD1-CD 3.34Å; N177-R388 PolarHBondContact OD1-NH1 3.33Å; N177-E391 PolarHBondContact ND2-OE1 3.2Å | ||
| 178 | D | 95.8 | Very high | 95.6 | Very high | 88 Ų | 88 | 55.6 Ų | 55.6 | 47% | 0.471 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -9.5 | -178.6 | 58.9 | -16.7 | 0 | 0 | 0 | 114.1 | L181 R388 | D178-L181 WeakPolarHBondContact O-CD2 3.36Å; D178-R388 IonicContact OD1-CZ 2.69Å; D178-R388 IonicContact OD1-NH1 3.76Å; D178-R388 PolarHBondContact OD1-NH1 3.01Å; D178-R388 IonicContact OD1-NH2 3.86Å |
| 179 | F | 96.8 | Very high | 95.6 | Very high | 39 Ų | 39 | 54.1 Ų | 54.1 | 17% | 0.171 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -16.3 | 173 | -59.3 | -45.7 | 0 | 0 | 0 | 113.9 | N177 R388 E391 R392 P395 G396 | N177-F179 VanDerWaalsContact C-N 3.27Å; N177-F179 PolarHBondContact O-N 3.45Å; N177-F179 WeakPolarHBondContact OD1-CD2 3.46Å; N177-F179 PolarHBondContact OD1-N 3.39Å; F179-R388 HydrophobicContact CD2-CB 4.04Å; F179-R388 HydrophobicContact CE2-CB 4.18Å; F179-R388 VanDerWaalsContact CE2-NH1 3.31Å; F179-E391 HydrophobicContact CB-CB 4.12Å; F179-E391 HydrophobicContact CB-CG 3.76Å; F179-E391 HydrophobicContact CD2-CG 4.34Å; F179-R392 HydrophobicContact CD2-CB 3.82Å; F179-R392 HydrophobicContact CD2-CG 4.41Å; F179-R392 HydrophobicContact CE2-CB 3.54Å; F179-R392 HydrophobicContact CE2-CG 3.66Å; F179-R392 HydrophobicContact CZ-CB 4.08Å; F179-R392 HydrophobicContact CZ-CG 3.74Å; F179-P395 HydrophobicContact CD1-CB 4.4Å; F179-P395 HydrophobicContact CD1-CG 3.98Å; F179-P395 WeakPolarHBondContact O-CA 3.32Å; F179-G396 PolarHBondContact O-N 3.32Å |
| 180 | L | 96.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | trans | -90.5 | 107.4 | 173.5 | -52.2 | 174.8 | 0 | 0 | 0 | 108.2 | H167 N177 H184 E391 D399 Q403 | H167-L180 WeakPolarHBondContact CB-O 3.46Å; N177-L180 HydrophobicContact CB-CD1 4.06Å; N177-L180 HydrophobicContact CB-CG 4.19Å; N177-L180 PolarHBondContact O-N 2.96Å; L180-H184 PolarHBondContact O-NE2 3.14Å; L180-E391 HydrophobicContact CD2-CB 4.16Å; L180-E391 HydrophobicContact CD2-CG 4.16Å; L180-D399 VanDerWaalsContact CA-OD1 3.24Å; L180-D399 WeakPolarHBondContact CA-OD1 3.41Å; L180-Q403 HydrophobicContact CD2-CB 4Å | ||
| 181 | L | 97.1 | Very high | 95.8 | Very high | 50 Ų | 50 | 56.2 Ų | 56.2 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | trans | -91.8 | -40 | -165.9 | -58.5 | -175.6 | 0 | 0 | 0 | 112.6 | H166 H167 D178 P395 D399 | H166-L181 CarbonylContact C-O 3.53Å; H166-L181 WeakPolarHBondContact CA-O 3.31Å; H166-L181 PolarHBondContact CD2-O 3.02Å; H166-L181 PolarHBondContact CE1-O 3.11Å; H166-L181 PolarHBondContact ND1-O 2.95Å; H167-L181 PolarHBondContact N-O 3.18Å; D178-L181 WeakPolarHBondContact O-CD2 3.36Å; L181-P395 HydrophobicContact CD1-CB 4.46Å; L181-D399 PolarHBondContact N-OD1 3.28Å | ||
| 182 | R | 96.1 | Very high | 95.9 | Very high | 173 Ų | 173 | 63.3 Ų | 63.3 | 65% | 0.653 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -128.6 | 172.7 | -171.9 | -54.4 | 175.2 | -176.4 | -173.5 | 0.2 | 110.7 | T203 D399 | R182-T203 VanDerWaalsContact O-CG2 3.27Å; R182-T203 WeakPolarHBondContact O-CG2 3.28Å; R182-D399 WeakPolarHBondContact CA-OD2 3.43Å; R182-D399 WeakPolarHBondContact CB-OD2 3.29Å; R182-D399 PolarHBondContact N-OD2 2.83Å |
| 183 | G | 96.2 | Very high | 96 | Very high | 10 Ų | 10 | 58 Ų | 58 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | trans | 82 | 11.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | H202 T203 | G183-H202 CarbonylContact O-C 3.58Å; G183-H202 WeakPolarHBondContact O-CA 3.38Å; G183-H202 VanDerWaalsContact O-CB 3.23Å; G183-H202 WeakPolarHBondContact O-CB 3.31Å; G183-T203 PolarHBondContact O-N 3.42Å | ||
| 184 | H | 97.8 | Very high | 96.1 | Very high | 16 Ų | 16 | 55.6 Ų | 55.6 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -77.7 | 146.6 | -178.7 | -67.3 | -82.8 | 0 | 0 | 0 | 112 | V164 V165 H167 L170 L180 T203 | V164-H184 CarbonylContact C-O 3.56Å; V164-H184 WeakPolarHBondContact CA-O 3.48Å; V165-H184 HydrophobicContact CG2-CB 4.15Å; V165-H184 PolarHBondContact N-O 2.93Å; V165-H184 PolarHBondContact O-N 3.19Å; H167-H184 AromaticContact ND1-NE2 3.78Å; L170-H184 HydrophobicContact CD1-CB 3.86Å; L170-H184 HydrophobicContact CD2-CB 4Å; L170-H184 HydrophobicContact CG-CB 4.24Å; L180-H184 PolarHBondContact O-NE2 3.14Å; H184-T203 PolarHBondContact ND1-OG1 3.36Å |
| 185 | R | 97.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 59 Ų | 59 | 3% | 0.03 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 133.6 | 167.4 | -75.2 | 178 | -66.2 | 166.9 | 14.1 | 109.5 | W162 L170 S197 H202 E204 H259 T260 C263 | W162-R185 HydrophobicContact CH2-CB 4.41Å; W162-R185 HydrophobicContact CH2-CG 3.39Å; W162-R185 HydrophobicContact CZ2-CG 3.8Å; W162-R185 HydrophobicContact CZ3-CB 4.36Å; W162-R185 HydrophobicContact CZ3-CG 3.77Å; L170-R185 WeakPolarHBondContact CD2-O 3.31Å; R185-S197 PolarHBondContact NH1-OG 3.3Å; R185-H202 WeakPolarHBondContact CD-NE2 3.27Å; R185-H202 HydrophobicContact CG-CB 4.01Å; R185-E204 VanDerWaalsContact NH2-CG 3.31Å; R185-H259 PolarHBondContact NH2-O 2.9Å; R185-T260 PolarHBondContact NH1-O 2.98Å; R185-C263 HydrophobicContact CB-CB 3.93Å |
| 186 | P | 96.2 | Very high | 96.3 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 19% | 0.188 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 173.8 | 166.2 | 31.5 | -32.5 | 0 | 0 | 0 | 109.5 | W162 V165 L188 | W162-P186 HydrophobicContact CB-CG 3.87Å; W162-P186 HydrophobicContact CD2-CG 4.33Å; W162-P186 HydrophobicContact CE3-CG 3.97Å; W162-P186 HydrophobicContact CG-CG 4.33Å; V165-P186 HydrophobicContact CG1-CB 4.1Å; V165-P186 HydrophobicContact CG2-CB 4.42Å; P186-L188 HydrophobicContact CG-CD2 4.04Å; P186-L188 WeakPolarHBondContact O-CG 3.38Å; P186-L188 PolarHBondContact O-N 3.39Å |
| 187 | Q | 97 | Very high | 96.5 | Very high | 86 Ų | 86 | 57.6 Ų | 57.6 | 40% | 0.402 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 123.8 | 171.9 | -177.7 | 172.6 | -17.7 | 0 | 0 | 110.1 | W173 P189 C263 H264 | W173-Q187 HydrophobicContact CZ2-CG 4.02Å; Q187-P189 WeakPolarHBondContact O-CD 3.41Å; Q187-C263 CarbonylContact C-O 3.25Å; Q187-C263 VanDerWaalsContact CA-O 3.31Å; Q187-C263 WeakPolarHBondContact CA-O 3.42Å; Q187-H264 WeakPolarHBondContact CG-O 3.3Å |
| 188 | L | 96 | Very high | 96.6 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | trans | -117.7 | 89.3 | -177.8 | -60.8 | -179.2 | 0 | 0 | 0 | 109.7 | W162 P186 S190 E193 C194 C263 H264 | W162-L188 HydrophobicContact CB-CD2 3.79Å; W162-L188 HydrophobicContact CD2-CD1 4.2Å; W162-L188 HydrophobicContact CD2-CD2 4.28Å; W162-L188 HydrophobicContact CG-CD1 4.17Å; W162-L188 HydrophobicContact CG-CD2 3.6Å; W162-L188 HydrophobicContact CG-CG 4.5Å; P186-L188 HydrophobicContact CG-CD2 4.04Å; P186-L188 WeakPolarHBondContact O-CG 3.38Å; P186-L188 PolarHBondContact O-N 3.39Å; L188-S190 PolarHBondContact O-N 3.38Å; L188-E193 HydrophobicContact CB-CB 4.42Å; L188-E193 HydrophobicContact CD1-CB 4.34Å; L188-C194 PolarHBondContact O-SG 3.47Å; L188-C263 PolarHBondContact N-O 3.06Å; L188-H264 CarbonylContact C-O 3.59Å; L188-H264 VanDerWaalsContact O-CA 3.26Å; L188-H264 WeakPolarHBondContact O-CA 3.13Å | ||
| 189 | P | 95.4 | Very high | 96.5 | Very high | 101 Ų | 101 | 61.3 Ų | 61.3 | 66% | 0.656 | 28% | 0.282 | S | S | * | . | trans | -74.9 | 42.6 | -175.6 | 34.3 | -38.1 | 0 | 0 | 0 | 113.1 | Q187 H264 | Q187-P189 WeakPolarHBondContact O-CD 3.41Å; P189-H264 WeakPolarHBondContact CA-O 3.29Å | ||
| 190 | S | 96.1 | Very high | 96.4 | Very high | 44 Ų | 44 | 62.2 Ų | 62.2 | 31% | 0.308 | 28% | 0.284 | S | S | . | . | trans | -148.4 | 116.5 | 179.4 | 171.1 | 0 | 0 | 0 | 0 | 109.2 | L188 R192 E193 C194 | L188-S190 PolarHBondContact O-N 3.38Å; S190-R192 PolarHBondContact O-N 2.86Å; S190-R192 PolarHBondContact OG-N 3.38Å; S190-E193 PolarHBondContact O-N 2.93Å; S190-E193 PolarHBondContact OG-N 3.47Å; S190-C194 PolarHBondContact O-N 3.19Å; S190-C194 PolarHBondContact O-SG 3.47Å | ||
| 191 | F | 97.6 | Very high | 96.4 | Very high | 93 Ų | 93 | 66.8 Ų | 66.8 | 41% | 0.408 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -53.6 | -39.4 | 173.4 | -74.6 | -75.1 | 0 | 0 | 0 | 111.8 | E193 C194 F195 V261 H264 V268 | F191-E193 VanDerWaalsContact C-N 3.29Å; F191-E193 PolarHBondContact O-N 2.91Å; F191-C194 WeakPolarHBondContact O-CB 3.41Å; F191-C194 PolarHBondContact O-N 3.47Å; F191-C194 VanDerWaalsContact O-N 3.13Å; F191-F195 HydrophobicContact CB-CD2 4.45Å; F191-F195 HydrophobicContact CD1-CE2 4.43Å; F191-F195 VanDerWaalsContact O-CD2 3.29Å; F191-F195 WeakPolarHBondContact O-CD2 3.04Å; F191-F195 PolarHBondContact O-N 3.13Å; F191-V261 HydrophobicContact CD1-CB 4.39Å; F191-V261 HydrophobicContact CD1-CG1 3.77Å; F191-V261 HydrophobicContact CE1-CB 4.17Å; F191-V261 HydrophobicContact CE1-CG1 3.88Å; F191-H264 AromaticContact CD1-CD2 3.99Å; F191-H264 AromaticContact CD2-CD2 3.93Å; F191-H264 AromaticContact CD2-NE2 3.54Å; F191-H264 AromaticContact CE2-NE2 3.61Å; F191-H264 AromaticContact CG-CD2 3.9Å; F191-H264 AromaticContact CG-NE2 3.99Å; F191-H264 PolarHBondContact N-CD2 2.79Å; F191-V268 HydrophobicContact CE1-CG1 3.89Å; F191-V268 HydrophobicContact CZ-CG1 3.95Å; F191-V268 HydrophobicContact CZ-CG2 4.02Å |
| 192 | R | 96.6 | Very high | 96.4 | Very high | 192 Ų | 192 | 64.4 Ų | 64.4 | 73% | 0.725 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -57.1 | -43.4 | 177.9 | -176.5 | -179.3 | 177 | -171.9 | -0.2 | 111.8 | S190 R196 | S190-R192 PolarHBondContact O-N 2.86Å; S190-R192 PolarHBondContact OG-N 3.38Å; R192-R196 VanDerWaalsContact O-CB 3.24Å; R192-R196 WeakPolarHBondContact O-CB 3.35Å; R192-R196 PolarHBondContact O-N 3.01Å |
| 193 | E | 95.1 | Very high | 96.5 | Very high | 55 Ų | 55 | 56.3 Ų | 56.3 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -71.7 | -36.5 | 177.3 | -70 | -61.8 | 122.7 | 0 | 0 | 112 | L188 S190 F191 R196 S197 | L188-E193 HydrophobicContact CB-CB 4.42Å; L188-E193 HydrophobicContact CD1-CB 4.34Å; S190-E193 PolarHBondContact O-N 2.93Å; S190-E193 PolarHBondContact OG-N 3.47Å; F191-E193 VanDerWaalsContact C-N 3.29Å; F191-E193 PolarHBondContact O-N 2.91Å; E193-R196 PolarHBondContact O-N 2.82Å; E193-S197 PolarHBondContact O-N 3.25Å |
| 194 | C | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 172.5 | -64.6 | 0 | 0 | 0 | 0 | 111.9 | L188 S190 F191 S197 | L188-C194 PolarHBondContact O-SG 3.47Å; S190-C194 PolarHBondContact O-N 3.19Å; S190-C194 PolarHBondContact O-SG 3.47Å; F191-C194 WeakPolarHBondContact O-CB 3.41Å; F191-C194 PolarHBondContact O-N 3.47Å; F191-C194 VanDerWaalsContact O-N 3.13Å; C194-S197 WeakPolarHBondContact O-CB 3.31Å; C194-S197 PolarHBondContact O-N 2.72Å; C194-S197 VanDerWaalsContact O-N 3.16Å; C194-S197 PolarHBondContact O-OG 3.46Å |
| 195 | F | 97.6 | Very high | 96.6 | Very high | 81 Ų | 81 | 56.7 Ų | 56.7 | 36% | 0.355 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.8 | -37.5 | 178 | -82.7 | -84.1 | 0 | 0 | 0 | 112.2 | F191 S197 I198 W256 L257 T260 V261 | F191-F195 HydrophobicContact CB-CD2 4.45Å; F191-F195 HydrophobicContact CD1-CE2 4.43Å; F191-F195 VanDerWaalsContact O-CD2 3.29Å; F191-F195 WeakPolarHBondContact O-CD2 3.04Å; F191-F195 PolarHBondContact O-N 3.13Å; F195-S197 PolarHBondContact O-N 3.33Å; F195-I198 HydrophobicContact CD1-CD1 3.98Å; F195-I198 WeakPolarHBondContact O-CB 3.37Å; F195-I198 WeakPolarHBondContact O-CG1 3.42Å; F195-I198 PolarHBondContact O-N 3.3Å; F195-W256 HydrophobicContact CD1-CZ3 4.49Å; F195-W256 AromaticContact CE1-CH2 3.93Å; F195-W256 HydrophobicContact CE1-CH2 3.93Å; F195-W256 AromaticContact CE1-CZ3 3.85Å; F195-W256 HydrophobicContact CE1-CZ3 3.85Å; F195-L257 HydrophobicContact CE1-CD2 4.16Å; F195-L257 HydrophobicContact CZ-CD2 3.9Å; F195-T260 HydrophobicContact CD1-CG2 3.88Å; F195-T260 HydrophobicContact CD2-CG2 4.41Å; F195-T260 HydrophobicContact CE1-CG2 4.1Å; F195-T260 HydrophobicContact CG-CG2 4.04Å; F195-T260 HydrophobicContact CZ-CG2 4.44Å; F195-V261 HydrophobicContact CE2-CG1 4.08Å; F195-V261 HydrophobicContact CZ-CG1 4.49Å |
| 196 | R | 95.5 | Very high | 96.6 | Very high | 113 Ų | 113 | 56.6 Ų | 56.6 | 43% | 0.426 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.9 | -28.2 | 173.2 | -169 | 177.6 | -175.2 | 172.6 | 4.7 | 112.2 | R192 E193 I198 F199 | R192-R196 VanDerWaalsContact O-CB 3.24Å; R192-R196 WeakPolarHBondContact O-CB 3.35Å; R192-R196 PolarHBondContact O-N 3.01Å; E193-R196 PolarHBondContact O-N 2.82Å; R196-I198 PolarHBondContact O-N 2.89Å; R196-F199 PolarHBondContact O-N 3.05Å |
| 197 | S | 96.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -66.1 | -18.4 | 178 | 78.1 | 0 | 0 | 0 | 0 | 114 | R185 E193 C194 F195 F199 R200 H202 | R185-S197 PolarHBondContact NH1-OG 3.3Å; E193-S197 PolarHBondContact O-N 3.25Å; C194-S197 WeakPolarHBondContact O-CB 3.31Å; C194-S197 PolarHBondContact O-N 2.72Å; C194-S197 VanDerWaalsContact O-N 3.16Å; C194-S197 PolarHBondContact O-OG 3.46Å; F195-S197 PolarHBondContact O-N 3.33Å; S197-F199 PolarHBondContact O-N 3.45Å; S197-F199 VanDerWaalsContact O-N 3.08Å; S197-R200 WeakPolarHBondContact O-CA 3.28Å; S197-R200 WeakPolarHBondContact O-CB 3.3Å; S197-R200 PolarHBondContact O-N 2.68Å; S197-H202 PolarHBondContact O-NE2 2.92Å |
| 198 | I | 96.9 | Very high | 96.8 | Very high | 14 Ų | 14 | 51.1 Ų | 51.1 | 7% | 0.072 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -52.2 | -35.6 | 175.2 | -63.2 | 176 | 0 | 0 | 0 | 111.7 | F195 R196 I208 W209 W256 T260 | F195-I198 HydrophobicContact CD1-CD1 3.98Å; F195-I198 WeakPolarHBondContact O-CB 3.37Å; F195-I198 WeakPolarHBondContact O-CG1 3.42Å; F195-I198 PolarHBondContact O-N 3.3Å; R196-I198 PolarHBondContact O-N 2.89Å; I198-I208 HydrophobicContact CG1-CD1 4.42Å; I198-I208 HydrophobicContact CG1-CG2 4.16Å; I198-I208 HydrophobicContact CG2-CG2 4.18Å; I198-W209 HydrophobicContact CG2-CZ2 4.03Å; I198-W209 PolarHBondContact O-NE1 2.82Å; I198-W256 HydrophobicContact CD1-CZ3 4.18Å; I198-T260 HydrophobicContact CD1-CG2 3.9Å; I198-T260 HydrophobicContact CG1-CG2 3.93Å |
| 199 | F | 95.4 | Very high | 96.9 | Very high | 162 Ų | 162 | 55 Ų | 55 | 71% | 0.711 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -94 | 15.4 | 179.4 | -56.4 | -74.1 | 0 | 0 | 0 | 113.5 | R196 S197 W209 | R196-F199 PolarHBondContact O-N 3.05Å; S197-F199 PolarHBondContact O-N 3.45Å; S197-F199 VanDerWaalsContact O-N 3.08Å; F199-W209 HydrophobicContact CD1-CZ2 4.03Å; F199-W209 HydrophobicContact CE1-CH2 4.11Å; F199-W209 AromaticContact CE1-CZ2 3.87Å; F199-W209 HydrophobicContact CE1-CZ2 3.87Å |
| 200 | R | 94.4 | Very high | 97.1 | Very high | 57 Ų | 57 | 51.8 Ų | 51.8 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -115.7 | 150.4 | 174.3 | -66.4 | -169.1 | 64 | -175.2 | -2.2 | 110.4 | W162 S197 H202 T205 | W162-R200 VanDerWaalsContact CD2-NH1 3.31Å; W162-R200 HydrophobicContact CZ2-CB 4.27Å; W162-R200 VanDerWaalsContact O-CZ 3.25Å; W162-R200 PolarHBondContact O-NH1 3.38Å; W162-R200 PolarHBondContact O-NH2 3.4Å; S197-R200 WeakPolarHBondContact O-CA 3.28Å; S197-R200 WeakPolarHBondContact O-CB 3.3Å; S197-R200 PolarHBondContact O-N 2.68Å; R200-H202 PolarHBondContact O-CD2 3.49Å; R200-H202 VanDerWaalsContact O-CD2 3.3Å; R200-T205 PolarHBondContact O-OG1 3.25Å |
| 201 | L | 96.4 | Very high | 97.2 | Very high | 104 Ų | 104 | 50.1 Ų | 50.1 | 55% | 0.545 | 22% | 0.218 | S | C | . | . | trans | -83.3 | 119.9 | 177.6 | -163.1 | 67.1 | 0 | 0 | 0 | 110.9 | T205 I400 W401 | L201-T205 HydrophobicContact CD1-CG2 4.38Å; L201-I400 HydrophobicContact CD1-CG2 3.48Å; L201-I400 VanDerWaalsContact CD1-CG2 3.48Å; L201-I400 HydrophobicContact CD2-CG2 4.2Å; L201-I400 HydrophobicContact CG-CG2 3.76Å; L201-W401 HydrophobicContact CD1-CH2 4.42Å; L201-W401 HydrophobicContact CD1-CZ2 3.78Å | ||
| 202 | H | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -160.2 | 174.7 | 178.1 | 54.3 | 65.7 | 0 | 0 | 0 | 110.3 | W162 V164 G183 R185 S197 R200 E204 T205 | W162-H202 HydrophobicContact CH2-CB 4.27Å; W162-H202 AromaticContact CH2-CD2 3.9Å; V164-H202 HydrophobicContact CG1-CB 4.32Å; G183-H202 CarbonylContact O-C 3.58Å; G183-H202 WeakPolarHBondContact O-CA 3.38Å; G183-H202 VanDerWaalsContact O-CB 3.23Å; G183-H202 WeakPolarHBondContact O-CB 3.31Å; R185-H202 WeakPolarHBondContact CD-NE2 3.27Å; R185-H202 HydrophobicContact CG-CB 4.01Å; S197-H202 PolarHBondContact O-NE2 2.92Å; R200-H202 PolarHBondContact O-CD2 3.49Å; R200-H202 VanDerWaalsContact O-CD2 3.3Å; H202-E204 PolarHBondContact ND1-N 2.9Å; H202-E204 VanDerWaalsContact ND1-N 3.18Å; H202-E204 PolarHBondContact O-N 2.85Å; H202-E204 VanDerWaalsContact O-N 3.12Å; H202-T205 PolarHBondContact CE1-N 2.93Å; H202-T205 PolarHBondContact N-OG1 3.41Å; H202-T205 PolarHBondContact ND1-N 3.06Å; H202-T205 PolarHBondContact ND1-OG1 3.33Å; H202-T205 WeakPolarHBondContact O-CB 3.3Å; H202-T205 PolarHBondContact O-N 2.86Å; H202-T205 PolarHBondContact O-OG1 2.93Å |
| 203 | T | 97.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -34.2 | -176.9 | 49.7 | 0 | 0 | 0 | 0 | 113.7 | R182 G183 H184 D399 Q403 | R182-T203 VanDerWaalsContact O-CG2 3.27Å; R182-T203 WeakPolarHBondContact O-CG2 3.28Å; G183-T203 PolarHBondContact O-N 3.42Å; H184-T203 PolarHBondContact ND1-OG1 3.36Å; T203-D399 WeakPolarHBondContact CA-O 3.18Å; T203-D399 VanDerWaalsContact CG2-O 3.24Å; T203-D399 WeakPolarHBondContact CG2-O 3.19Å; T203-Q403 PolarHBondContact O-NE2 2.83Å |
| 204 | E | 98.3 | Very high | 97.5 | Very high | 24 Ų | 24 | 40.7 Ų | 40.7 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -3.1 | 179.5 | -59.7 | -63.6 | 164.9 | 0 | 0 | 115.1 | R185 H202 G206 N207 I208 H259 Y262 | R185-E204 VanDerWaalsContact NH2-CG 3.31Å; H202-E204 PolarHBondContact ND1-N 2.9Å; H202-E204 VanDerWaalsContact ND1-N 3.18Å; H202-E204 PolarHBondContact O-N 2.85Å; H202-E204 VanDerWaalsContact O-N 3.12Å; E204-G206 PolarHBondContact O-N 3.49Å; E204-N207 PolarHBondContact O-N 2.91Å; E204-N207 PolarHBondContact OE2-ND2 2.89Å; E204-I208 HydrophobicContact CB-CD1 4.38Å; E204-I208 VanDerWaalsContact O-CG1 3.32Å; E204-I208 WeakPolarHBondContact O-CG1 3.39Å; E204-I208 PolarHBondContact O-N 3.35Å; E204-H259 IonicContact OE2-CE1 4Å; E204-H259 IonicContact OE2-CG 3.69Å; E204-H259 IonicContact OE2-ND1 3.06Å; E204-H259 PolarHBondContact OE2-ND1 2.96Å; E204-Y262 HydrophobicContact CG-CD1 4.37Å |
| 205 | T | 98.1 | Very high | 97.6 | Very high | 10 Ų | 10 | 43 Ų | 43 | 6% | 0.061 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -51.6 | -172.9 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | R200 L201 H202 N207 I208 W209 | R200-T205 PolarHBondContact O-OG1 3.25Å; L201-T205 HydrophobicContact CD1-CG2 4.38Å; H202-T205 PolarHBondContact CE1-N 2.93Å; H202-T205 PolarHBondContact N-OG1 3.41Å; H202-T205 PolarHBondContact ND1-N 3.06Å; H202-T205 PolarHBondContact ND1-OG1 3.33Å; H202-T205 WeakPolarHBondContact O-CB 3.3Å; H202-T205 PolarHBondContact O-N 2.86Å; H202-T205 PolarHBondContact O-OG1 2.93Å; T205-N207 VanDerWaalsContact C-N 3.34Å; T205-N207 PolarHBondContact O-N 3.48Å; T205-I208 PolarHBondContact O-N 3.44Å; T205-W209 VanDerWaalsContact O-CD1 3.27Å; T205-W209 PolarHBondContact O-N 2.91Å |
| 206 | G | 97.6 | Very high | 97.6 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 6% | 0.062 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.7 | -33.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E204 T210 | E204-G206 PolarHBondContact O-N 3.49Å; G206-T210 WeakPolarHBondContact O-CB 3.37Å; G206-T210 WeakPolarHBondContact O-CG2 3.38Å; G206-T210 PolarHBondContact O-N 2.97Å; G206-T210 PolarHBondContact O-OG1 3.44Å |
| 207 | N | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -42 | 178.1 | -65.7 | -23.7 | 0 | 0 | 0 | 111.1 | E204 T205 T210 H259 Q403 Q406 H409 | E204-N207 PolarHBondContact O-N 2.91Å; E204-N207 PolarHBondContact OE2-ND2 2.89Å; T205-N207 VanDerWaalsContact C-N 3.34Å; T205-N207 PolarHBondContact O-N 3.48Å; N207-T210 PolarHBondContact O-OG1 3.44Å; N207-H259 HydrophobicContact CB-CB 4.26Å; N207-Q403 PolarHBondContact ND2-NE2 3.48Å; N207-Q406 WeakPolarHBondContact OD1-CA 3.4Å; N207-Q406 WeakPolarHBondContact OD1-CG 3.3Å; N207-Q406 PolarHBondContact OD1-N 3.32Å; N207-H409 PolarHBondContact O-CE1 3.38Å; N207-H409 PolarHBondContact O-ND1 2.89Å |
| 208 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.1 | -55.1 | 175.8 | -64 | 166.8 | 0 | 0 | 0 | 110.4 | I198 E204 T205 T210 H211 L212 H259 | I198-I208 HydrophobicContact CG1-CD1 4.42Å; I198-I208 HydrophobicContact CG1-CG2 4.16Å; I198-I208 HydrophobicContact CG2-CG2 4.18Å; E204-I208 HydrophobicContact CB-CD1 4.38Å; E204-I208 VanDerWaalsContact O-CG1 3.32Å; E204-I208 WeakPolarHBondContact O-CG1 3.39Å; E204-I208 PolarHBondContact O-N 3.35Å; T205-I208 PolarHBondContact O-N 3.44Å; I208-T210 PolarHBondContact O-N 2.92Å; I208-H211 PolarHBondContact O-N 2.91Å; I208-L212 WeakPolarHBondContact O-CB 3.29Å; I208-L212 PolarHBondContact O-N 3.38Å; I208-H259 HydrophobicContact CG1-CB 3.68Å |
| 209 | W | 98.6 | Very high | 97.9 | Very high | 97 Ų | 97 | 41.7 Ų | 41.7 | 37% | 0.367 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.6 | -37.8 | -170.9 | -83 | 99 | 0 | 0 | 0 | 113.2 | I198 F199 T205 L212 I213 | I198-W209 HydrophobicContact CG2-CZ2 4.03Å; I198-W209 PolarHBondContact O-NE1 2.82Å; F199-W209 HydrophobicContact CD1-CZ2 4.03Å; F199-W209 HydrophobicContact CE1-CH2 4.11Å; F199-W209 AromaticContact CE1-CZ2 3.87Å; F199-W209 HydrophobicContact CE1-CZ2 3.87Å; T205-W209 VanDerWaalsContact O-CD1 3.27Å; T205-W209 PolarHBondContact O-N 2.91Å; W209-L212 HydrophobicContact CE3-CD2 4.33Å; W209-L212 HydrophobicContact CZ3-CD2 4.38Å; W209-L212 PolarHBondContact O-N 2.98Å; W209-I213 HydrophobicContact CE3-CD1 4.25Å; W209-I213 HydrophobicContact CE3-CG1 4.28Å; W209-I213 WeakPolarHBondContact O-CB 3.48Å; W209-I213 WeakPolarHBondContact O-CD1 3.31Å; W209-I213 WeakPolarHBondContact O-CG1 3.44Å; W209-I213 PolarHBondContact O-N 3.33Å |
| 210 | T | 98.6 | Very high | 98.1 | Very high | 33 Ų | 33 | 38.7 Ų | 38.7 | 20% | 0.202 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.2 | -49 | 178.6 | 46.9 | 0 | 0 | 0 | 0 | 112.2 | G206 N207 I208 G214 H409 V410 | G206-T210 WeakPolarHBondContact O-CB 3.37Å; G206-T210 WeakPolarHBondContact O-CG2 3.38Å; G206-T210 PolarHBondContact O-N 2.97Å; G206-T210 PolarHBondContact O-OG1 3.44Å; N207-T210 PolarHBondContact O-OG1 3.44Å; I208-T210 PolarHBondContact O-N 2.92Å; T210-G214 PolarHBondContact O-N 3.3Å; T210-H409 VanDerWaalsContact OG1-CB 3.31Å; T210-H409 WeakPolarHBondContact OG1-CB 3.49Å; T210-H409 PolarHBondContact OG1-ND1 2.86Å; T210-V410 HydrophobicContact CG2-CG2 3.68Å |
| 211 | H | 98.7 | Very high | 98.2 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -79.4 | -26.5 | 178.1 | -78 | -176.1 | 0 | 0 | 0 | 113.7 | I208 G214 F215 L252 S255 W256 H409 | I208-H211 PolarHBondContact O-N 2.91Å; H211-G214 PolarHBondContact O-N 3.49Å; H211-F215 WeakPolarHBondContact O-CB 3.37Å; H211-F215 PolarHBondContact O-N 3.35Å; H211-L252 HydrophobicContact CB-CD2 4.24Å; H211-S255 PolarHBondContact CE1-OG 3.05Å; H211-S255 WeakPolarHBondContact ND1-CB 3.29Å; H211-S255 PolarHBondContact ND1-OG 2.94Å; H211-W256 HydrophobicContact CB-CB 4.06Å; H211-H409 AromaticContact CD2-CG 3.74Å; H211-H409 AromaticContact CD2-ND1 3.73Å; H211-H409 AromaticContact CE1-CD2 3.42Å; H211-H409 PolarHBondContact CE1-CD2 3.37Å; H211-H409 VanDerWaalsContact CE1-CD2 3.42Å; H211-H409 AromaticContact CE1-CE1 3.57Å; H211-H409 AromaticContact CE1-CG 3.42Å; H211-H409 VanDerWaalsContact CE1-CG 3.42Å; H211-H409 AromaticContact CE1-ND1 3.52Å; H211-H409 AromaticContact CE1-NE2 3.53Å; H211-H409 AromaticContact CG-CE1 3.96Å; H211-H409 AromaticContact CG-ND1 3.55Å; H211-H409 AromaticContact ND1-CE1 3.38Å; H211-H409 PolarHBondContact ND1-CE1 2.9Å; H211-H409 AromaticContact ND1-CG 3.8Å; H211-H409 AromaticContact ND1-ND1 3.4Å; H211-H409 PolarHBondContact ND1-ND1 3.37Å; H211-H409 AromaticContact ND1-NE2 3.78Å; H211-H409 VanDerWaalsContact NE2-CA 3.3Å; H211-H409 WeakPolarHBondContact NE2-CA 3.49Å; H211-H409 WeakPolarHBondContact NE2-CB 3.48Å; H211-H409 AromaticContact NE2-CD2 3.74Å; H211-H409 AromaticContact NE2-CG 3.38Å; H211-H409 AromaticContact NE2-ND1 3.74Å; H211-H409 PolarHBondContact NE2-O 2.82Å |
| 212 | L | 98.6 | Very high | 98.3 | Very high | 35 Ų | 35 | 34.3 Ų | 34.3 | 18% | 0.183 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.8 | -45.4 | 171 | 178.1 | 60.7 | 0 | 0 | 0 | 111.5 | I208 W209 F215 V216 W256 | I208-L212 WeakPolarHBondContact O-CB 3.29Å; I208-L212 PolarHBondContact O-N 3.38Å; W209-L212 HydrophobicContact CE3-CD2 4.33Å; W209-L212 HydrophobicContact CZ3-CD2 4.38Å; W209-L212 PolarHBondContact O-N 2.98Å; L212-F215 WeakPolarHBondContact O-CB 3.49Å; L212-F215 PolarHBondContact O-N 3.05Å; L212-V216 WeakPolarHBondContact O-CG2 3.36Å; L212-V216 PolarHBondContact O-N 2.9Å; L212-W256 HydrophobicContact CB-CB 4.27Å; L212-W256 HydrophobicContact CB-CG 4.27Å; L212-W256 HydrophobicContact CD1-CD2 4.05Å; L212-W256 HydrophobicContact CD1-CE3 4.41Å; L212-W256 HydrophobicContact CD1-CG 4.36Å; L212-W256 HydrophobicContact CD1-CZ2 4.38Å |
| 213 | I | 98.6 | Very high | 98.2 | Very high | 105 Ų | 105 | 38.6 Ų | 38.6 | 54% | 0.538 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 175 | -68.7 | 165.7 | 0 | 0 | 0 | 109.9 | W209 F215 V216 C217 | W209-I213 HydrophobicContact CE3-CD1 4.25Å; W209-I213 HydrophobicContact CE3-CG1 4.28Å; W209-I213 WeakPolarHBondContact O-CB 3.48Å; W209-I213 WeakPolarHBondContact O-CD1 3.31Å; W209-I213 WeakPolarHBondContact O-CG1 3.44Å; W209-I213 PolarHBondContact O-N 3.33Å; I213-F215 VanDerWaalsContact C-N 3.34Å; I213-F215 PolarHBondContact O-N 3.33Å; I213-V216 PolarHBondContact O-N 3.43Å; I213-C217 WeakPolarHBondContact O-CB 3.37Å; I213-C217 PolarHBondContact O-N 3.08Å |
| 214 | G | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.2 | -46.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | T210 H211 V216 C217 F218 | T210-G214 PolarHBondContact O-N 3.3Å; H211-G214 PolarHBondContact O-N 3.49Å; G214-V216 PolarHBondContact O-N 2.92Å; G214-C217 WeakPolarHBondContact O-CB 3.42Å; G214-C217 PolarHBondContact O-N 3.49Å; G214-F218 WeakPolarHBondContact O-CD2 3.23Å; G214-F218 PolarHBondContact O-N 3.3Å |
| 215 | F | 98.8 | Very high | 97.8 | Very high | 50 Ų | 50 | 41 Ų | 41 | 22% | 0.219 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57 | -49.8 | 177.7 | 172.6 | -91.2 | 0 | 0 | 0 | 111.8 | H211 L212 I213 C217 F218 L219 I249 L252 W256 | H211-F215 WeakPolarHBondContact O-CB 3.37Å; H211-F215 PolarHBondContact O-N 3.35Å; L212-F215 WeakPolarHBondContact O-CB 3.49Å; L212-F215 PolarHBondContact O-N 3.05Å; I213-F215 VanDerWaalsContact C-N 3.34Å; I213-F215 PolarHBondContact O-N 3.33Å; F215-C217 VanDerWaalsContact C-N 3.34Å; F215-C217 PolarHBondContact O-N 2.98Å; F215-F218 PolarHBondContact O-N 3.06Å; F215-L219 HydrophobicContact CE1-CD2 4.48Å; F215-L219 WeakPolarHBondContact O-CB 3.4Å; F215-L219 PolarHBondContact O-N 3.4Å; F215-I249 HydrophobicContact CD2-CG2 4Å; F215-I249 VanDerWaalsContact CD2-O 3.27Å; F215-I249 WeakPolarHBondContact CD2-O 3.41Å; F215-I249 HydrophobicContact CE2-CG2 3.45Å; F215-I249 VanDerWaalsContact CE2-CG2 3.45Å; F215-I249 WeakPolarHBondContact CE2-O 3.5Å; F215-I249 HydrophobicContact CZ-CG2 4.15Å; F215-L252 HydrophobicContact CB-CB 4.03Å; F215-W256 AromaticContact CG-NE1 4Å |
| 216 | V | 98.7 | Very high | 97.6 | Very high | 66 Ų | 66 | 43.5 Ų | 43.5 | 40% | 0.4 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 177.7 | 174.2 | 0 | 0 | 0 | 0 | 111 | L212 I213 G214 L219 I220 | L212-V216 WeakPolarHBondContact O-CG2 3.36Å; L212-V216 PolarHBondContact O-N 2.9Å; I213-V216 PolarHBondContact O-N 3.43Å; G214-V216 PolarHBondContact O-N 2.92Å; V216-L219 PolarHBondContact O-N 2.95Å; V216-I220 HydrophobicContact CG1-CD1 3.86Å; V216-I220 HydrophobicContact CG1-CG1 4.46Å; V216-I220 WeakPolarHBondContact O-CG1 3.23Å; V216-I220 PolarHBondContact O-N 3.5Å |
| 217 | C | 98.5 | Very high | 97.3 | Very high | 44 Ų | 44 | 48.2 Ų | 48.2 | 30% | 0.297 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.3 | -51.4 | 176.7 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | I213 G214 F215 L219 I220 L221 | I213-C217 WeakPolarHBondContact O-CB 3.37Å; I213-C217 PolarHBondContact O-N 3.08Å; G214-C217 WeakPolarHBondContact O-CB 3.42Å; G214-C217 PolarHBondContact O-N 3.49Å; F215-C217 VanDerWaalsContact C-N 3.34Å; F215-C217 PolarHBondContact O-N 2.98Å; C217-L219 VanDerWaalsContact C-N 3.32Å; C217-L219 PolarHBondContact O-N 3.37Å; C217-I220 PolarHBondContact O-N 3.48Å; C217-L221 WeakPolarHBondContact O-CB 3.25Å; C217-L221 VanDerWaalsContact O-CG 3.29Å; C217-L221 WeakPolarHBondContact O-CG 3.02Å; C217-L221 PolarHBondContact O-N 3.45Å |
| 218 | F | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.2 | -32.1 | 178.5 | -87.9 | -87.1 | 0 | 0 | 0 | 113.1 | G214 F215 S222 F244 F245 A248 I249 L252 A416 L417 | G214-F218 WeakPolarHBondContact O-CD2 3.23Å; G214-F218 PolarHBondContact O-N 3.3Å; F215-F218 PolarHBondContact O-N 3.06Å; F218-S222 WeakPolarHBondContact O-CB 2.98Å; F218-S222 PolarHBondContact O-N 3.27Å; F218-F244 AromaticContact CE1-CE1 3.81Å; F218-F244 HydrophobicContact CE1-CE1 3.81Å; F218-F244 AromaticContact CE1-CZ 3.84Å; F218-F244 HydrophobicContact CE1-CZ 3.84Å; F218-F244 HydrophobicContact CZ-CZ 4.35Å; F218-F245 HydrophobicContact CD1-CD1 4.01Å; F218-F245 HydrophobicContact CD1-CE1 4.31Å; F218-A248 HydrophobicContact CD1-CB 3.64Å; F218-A248 HydrophobicContact CE1-CB 3.91Å; F218-A248 HydrophobicContact CG-CB 4.01Å; F218-A248 HydrophobicContact CZ-CB 4.49Å; F218-I249 HydrophobicContact CB-CG1 3.99Å; F218-L252 HydrophobicContact CD2-CD1 3.67Å; F218-L252 HydrophobicContact CE2-CD1 4.26Å; F218-L252 HydrophobicContact CG-CD1 4.35Å; F218-A416 HydrophobicContact CE1-CB 4.3Å; F218-A416 HydrophobicContact CE2-CB 3.88Å; F218-A416 HydrophobicContact CZ-CB 3.4Å; F218-A416 VanDerWaalsContact CZ-CB 3.4Å; F218-L417 HydrophobicContact CE2-CD2 4.13Å; F218-L417 HydrophobicContact CE2-CG 4.23Å; F218-L417 HydrophobicContact CZ-CD2 4.06Å; F218-L417 HydrophobicContact CZ-CG 4.25Å |
| 219 | L | 98.4 | Very high | 95.3 | Very high | 70 Ų | 70 | 59.1 Ų | 59.1 | 37% | 0.366 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.9 | -47.7 | 172.9 | -176.4 | 64.5 | 0 | 0 | 0 | 111.4 | F215 V216 C217 S222 I223 I249 | F215-L219 HydrophobicContact CE1-CD2 4.48Å; F215-L219 WeakPolarHBondContact O-CB 3.4Å; F215-L219 PolarHBondContact O-N 3.4Å; V216-L219 PolarHBondContact O-N 2.95Å; C217-L219 VanDerWaalsContact C-N 3.32Å; C217-L219 PolarHBondContact O-N 3.37Å; L219-S222 PolarHBondContact O-N 3.37Å; L219-I223 HydrophobicContact CD1-CD1 4.26Å; L219-I223 HydrophobicContact CG-CD1 4.17Å; L219-I223 VanDerWaalsContact O-CG1 3.32Å; L219-I223 WeakPolarHBondContact O-CG1 3.2Å; L219-I223 PolarHBondContact O-N 3.02Å; L219-I223 VanDerWaalsContact O-N 3.08Å; L219-I249 HydrophobicContact CD1-CD1 4.24Å |
| 220 | I | 98.2 | Very high | 93.7 | Very high | 98 Ų | 98 | 57 Ų | 57 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.1 | -49.2 | 176.6 | -67.6 | 167.8 | 0 | 0 | 0 | 110.1 | V216 C217 S222 I223 S224 | V216-I220 HydrophobicContact CG1-CD1 3.86Å; V216-I220 HydrophobicContact CG1-CG1 4.46Å; V216-I220 WeakPolarHBondContact O-CG1 3.23Å; V216-I220 PolarHBondContact O-N 3.5Å; C217-I220 PolarHBondContact O-N 3.48Å; I220-S222 VanDerWaalsContact C-N 3.33Å; I220-S222 PolarHBondContact O-N 3.19Å; I220-I223 PolarHBondContact O-N 2.92Å; I220-S224 WeakPolarHBondContact O-CB 3.23Å; I220-S224 PolarHBondContact O-N 3.41Å; I220-S224 PolarHBondContact O-OG 3.23Å; I220-S224 VanDerWaalsContact O-OG 3.05Å |
| 221 | L | 97.2 | Very high | 92.4 | Very high | 59 Ų | 59 | 57.6 Ų | 57.6 | 31% | 0.309 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 179.5 | -70.3 | 172.4 | 0 | 0 | 0 | 112.3 | C217 S224 F225 F245 L417 L420 | C217-L221 WeakPolarHBondContact O-CB 3.25Å; C217-L221 VanDerWaalsContact O-CG 3.29Å; C217-L221 WeakPolarHBondContact O-CG 3.02Å; C217-L221 PolarHBondContact O-N 3.45Å; L221-S224 PolarHBondContact O-N 2.9Å; L221-F225 VanDerWaalsContact O-CB 3.3Å; L221-F225 WeakPolarHBondContact O-CB 3.48Å; L221-F225 PolarHBondContact O-N 3.41Å; L221-F245 HydrophobicContact CB-CE1 3.68Å; L221-F245 HydrophobicContact CB-CZ 4.29Å; L221-L417 HydrophobicContact CD1-CD2 3.77Å; L221-L420 HydrophobicContact CD1-CD2 4.23Å |
| 222 | S | 97.3 | Very high | 91.3 | Very high | 11 Ų | 11 | 64.9 Ų | 64.9 | 8% | 0.077 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 176.1 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | F218 L219 I220 F225 L226 Q242 | F218-S222 WeakPolarHBondContact O-CB 2.98Å; F218-S222 PolarHBondContact O-N 3.27Å; L219-S222 PolarHBondContact O-N 3.37Å; I220-S222 VanDerWaalsContact C-N 3.33Å; I220-S222 PolarHBondContact O-N 3.19Å; S222-F225 PolarHBondContact O-N 3.12Å; S222-L226 WeakPolarHBondContact O-CG 3.33Å; S222-L226 PolarHBondContact O-N 3.49Å; S222-Q242 PolarHBondContact O-NE2 2.9Å; S222-Q242 VanDerWaalsContact O-NE2 3.16Å; S222-Q242 PolarHBondContact OG-NE2 3.35Å; S222-Q242 PolarHBondContact OG-OE1 3.35Å |
| 223 | I | 96.3 | Very high | 90.5 | Very high | 90 Ų | 90 | 65 Ų | 65 | 46% | 0.462 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.3 | -48.7 | 178.1 | -66.4 | 166.2 | 0 | 0 | 0 | 109.9 | L219 I220 F225 L226 V227 | L219-I223 HydrophobicContact CD1-CD1 4.26Å; L219-I223 HydrophobicContact CG-CD1 4.17Å; L219-I223 VanDerWaalsContact O-CG1 3.32Å; L219-I223 WeakPolarHBondContact O-CG1 3.2Å; L219-I223 PolarHBondContact O-N 3.02Å; L219-I223 VanDerWaalsContact O-N 3.08Å; I220-I223 PolarHBondContact O-N 2.92Å; I223-F225 VanDerWaalsContact C-N 3.29Å; I223-F225 PolarHBondContact O-N 3.5Å; I223-L226 PolarHBondContact O-N 3.01Å; I223-L226 VanDerWaalsContact O-N 3.09Å; I223-V227 HydrophobicContact CG2-CG1 4.34Å; I223-V227 WeakPolarHBondContact O-CG2 3.15Å; I223-V227 PolarHBondContact O-N 3.19Å |
| 224 | S | 94.6 | Very high | 89.9 | Confident | 59 Ų | 59 | 66.8 Ų | 66.8 | 41% | 0.413 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -55.5 | -43.2 | 177.4 | -66.2 | 0 | 0 | 0 | 0 | 112 | I220 L221 L226 V227 H228 | I220-S224 WeakPolarHBondContact O-CB 3.23Å; I220-S224 PolarHBondContact O-N 3.41Å; I220-S224 PolarHBondContact O-OG 3.23Å; I220-S224 VanDerWaalsContact O-OG 3.05Å; L221-S224 PolarHBondContact O-N 2.9Å; S224-L226 VanDerWaalsContact C-N 3.35Å; S224-L226 PolarHBondContact O-N 3.31Å; S224-V227 PolarHBondContact O-N 3.17Å; S224-H228 WeakPolarHBondContact O-CB 3.31Å; S224-H228 PolarHBondContact O-N 3.37Å |
| 225 | F | 93.6 | Very high | 89.5 | Confident | 18 Ų | 18 | 74.6 Ų | 74.6 | 8% | 0.079 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 177.2 | 176.4 | -100 | 0 | 0 | 0 | 112.8 | L221 S222 I223 L231 K238 V241 F245 M424 | L221-F225 VanDerWaalsContact O-CB 3.3Å; L221-F225 WeakPolarHBondContact O-CB 3.48Å; L221-F225 PolarHBondContact O-N 3.41Å; S222-F225 PolarHBondContact O-N 3.12Å; I223-F225 VanDerWaalsContact C-N 3.29Å; I223-F225 PolarHBondContact O-N 3.5Å; F225-L231 HydrophobicContact CD2-CD1 3.89Å; F225-L231 HydrophobicContact CE2-CD1 4.01Å; F225-K238 HydrophobicContact CE1-CB 4.06Å; F225-K238 HydrophobicContact CE1-CG 4.19Å; F225-K238 HydrophobicContact CZ-CG 4.37Å; F225-V241 HydrophobicContact CD1-CG1 4.43Å; F225-V241 HydrophobicContact CE1-CB 3.79Å; F225-V241 HydrophobicContact CE1-CG1 3.91Å; F225-V241 HydrophobicContact CE2-CG1 4.28Å; F225-V241 HydrophobicContact CZ-CB 3.73Å; F225-V241 HydrophobicContact CZ-CG1 3.82Å; F225-V241 HydrophobicContact CZ-CG2 3.99Å; F225-F245 HydrophobicContact CB-CE2 3.88Å; F225-F245 HydrophobicContact CB-CZ 4.17Å; F225-F245 HydrophobicContact CD1-CD2 4.45Å; F225-F245 AromaticContact CD1-CE2 3.92Å; F225-F245 HydrophobicContact CD1-CE2 3.92Å; F225-F245 AromaticContact CG-CE2 3.85Å; F225-F245 HydrophobicContact CG-CE2 3.85Å; F225-F245 HydrophobicContact CG-CZ 4.49Å; F225-M424 HydrophobicContact CD2-SD 4.49Å; F225-M424 HydrophobicContact CE2-CE 3.98Å; F225-M424 HydrophobicContact CE2-SD 4.01Å |
| 226 | L | 93 | Very high | 89.2 | Confident | 63 Ų | 63 | 77.9 Ų | 77.9 | 33% | 0.33 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.7 | -44.8 | 177.1 | -70.2 | 171.1 | 0 | 0 | 0 | 112.6 | S222 I223 S224 W235 K238 M239 Q242 | S222-L226 WeakPolarHBondContact O-CG 3.33Å; S222-L226 PolarHBondContact O-N 3.49Å; I223-L226 PolarHBondContact O-N 3.01Å; I223-L226 VanDerWaalsContact O-N 3.09Å; S224-L226 VanDerWaalsContact C-N 3.35Å; S224-L226 PolarHBondContact O-N 3.31Å; L226-W235 HydrophobicContact CD2-CZ3 4.49Å; L226-K238 PolarHBondContact O-NZ 3.13Å; L226-M239 HydrophobicContact CD2-CE 3.9Å; L226-Q242 HydrophobicContact CD2-CG 3.84Å; L226-Q242 HydrophobicContact CG-CG 4.41Å |
| 227 | V | 90.9 | Very high | 88.8 | Confident | 104 Ų | 104 | 75.3 Ų | 75.3 | 63% | 0.63 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -86.3 | -11.2 | -171.7 | -55.2 | 0 | 0 | 0 | 0 | 113.8 | I223 S224 P229 | I223-V227 HydrophobicContact CG2-CG1 4.34Å; I223-V227 WeakPolarHBondContact O-CG2 3.15Å; I223-V227 PolarHBondContact O-N 3.19Å; S224-V227 PolarHBondContact O-N 3.17Å; V227-P229 WeakPolarHBondContact O-CD 3.49Å |
| 228 | H | 86.4 | Confident | 88.6 | Confident | 103 Ų | 103 | 74.7 Ų | 74.7 | 48% | 0.477 | 40% | 0.397 | S | S | . | . | trans | -60.4 | 111.6 | -175.3 | -167.2 | 85.4 | 0 | 0 | 0 | 111.2 | S224 G230 L231 | S224-H228 WeakPolarHBondContact O-CB 3.31Å; S224-H228 PolarHBondContact O-N 3.37Å; H228-G230 PolarHBondContact CD2-N 3.38Å; H228-G230 PolarHBondContact O-N 3.45Å; H228-L231 HydrophobicContact CB-CD1 3.96Å; H228-L231 HydrophobicContact CB-CG 4.27Å; H228-L231 PolarHBondContact O-N 2.86Å | ||
| 229 | P | 69.1 | Low | 88.4 | Confident | 127 Ų | 127 | 77.5 Ų | 77.5 | 83% | 0.825 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -12.6 | -168.1 | 26.6 | -32.7 | 0 | 0 | 0 | 114.1 | V227 | V227-P229 WeakPolarHBondContact O-CD 3.49Š|
| 230 | G | 65.7 | Low | 88.3 | Confident | 52 Ų | 52 | 75.8 Ų | 75.8 | 54% | 0.536 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -5.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | H228 N232 | H228-G230 PolarHBondContact CD2-N 3.38Å; H228-G230 PolarHBondContact O-N 3.45Å; G230-N232 PolarHBondContact O-N 2.8Å; G230-N232 VanDerWaalsContact O-N 3.12Å |
| 231 | L | 71.2 | Confident | 88.2 | Confident | 46 Ų | 46 | 71.3 Ų | 71.3 | 24% | 0.241 | 38% | 0.379 | C | S | . | . | trans | -83.4 | 90.5 | 178.2 | -74.1 | 172.3 | 0 | 0 | 0 | 109 | F225 H228 I233 | F225-L231 HydrophobicContact CD2-CD1 3.89Å; F225-L231 HydrophobicContact CE2-CD1 4.01Å; H228-L231 HydrophobicContact CB-CD1 3.96Å; H228-L231 HydrophobicContact CB-CG 4.27Å; H228-L231 PolarHBondContact O-N 2.86Å; L231-I233 HydrophobicContact CB-CD1 4.36Å; L231-I233 HydrophobicContact CB-CG1 4.37Å; L231-I233 HydrophobicContact CD2-CD1 3.89Å; L231-I233 PolarHBondContact O-N 3.43Å | ||
| 232 | N | 74.9 | Confident | 88.2 | Confident | 161 Ų | 161 | 69.3 Ų | 69.3 | 86% | 0.861 | 37% | 0.368 | S | S | * | . | trans | -69.3 | 51.1 | 170.8 | -72.3 | -27 | 0 | 0 | 0 | 111.8 | G230 | G230-N232 PolarHBondContact O-N 2.8Å; G230-N232 VanDerWaalsContact O-N 3.12Å | ||
| 233 | I | 81.5 | Confident | 88.2 | Confident | 37 Ų | 37 | 71.8 Ų | 71.8 | 19% | 0.19 | 38% | 0.382 | C | S | . | . | trans | -106.5 | 130 | -178.8 | -65 | -179.5 | 0 | 0 | 0 | 107.7 | L231 E237 K238 L431 | L231-I233 HydrophobicContact CB-CD1 4.36Å; L231-I233 HydrophobicContact CB-CG1 4.37Å; L231-I233 HydrophobicContact CD2-CD1 3.89Å; L231-I233 PolarHBondContact O-N 3.43Å; I233-E237 HydrophobicContact CG2-CB 3.27Å; I233-E237 HydrophobicContact CG2-CG 4.12Å; I233-K238 HydrophobicContact CG2-CG 4.16Å; I233-L431 HydrophobicContact CG1-CD1 4.39Å; I233-L431 HydrophobicContact CG2-CD1 4.42Å | ||
| 234 | H | 87.3 | Confident | 88.3 | Confident | 142 Ų | 142 | 67.5 Ų | 67.5 | 66% | 0.657 | 36% | 0.36 | S | S | * | . | trans | -54.1 | 147.2 | 176.5 | -68.2 | 94.1 | 0 | 0 | 0 | 111.4 | Q236 E237 K238 | H234-Q236 PolarHBondContact O-N 3.17Å; H234-Q236 VanDerWaalsContact O-N 3.17Å; H234-E237 HydrophobicContact CB-CG 4.42Å; H234-E237 WeakPolarHBondContact O-CB 3.31Å; H234-E237 PolarHBondContact O-N 3.18Å; H234-K238 PolarHBondContact O-N 3.3Å | ||
| 235 | W | 89.2 | Confident | 88.5 | Confident | 166 Ų | 166 | 64.9 Ų | 64.9 | 63% | 0.629 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -55.8 | -36.5 | -178 | 169.5 | -102.2 | 0 | 0 | 0 | 112.9 | L226 E237 K238 M239 | L226-W235 HydrophobicContact CD2-CZ3 4.49Å; W235-E237 VanDerWaalsContact C-N 3.33Å; W235-E237 PolarHBondContact O-N 3.15Å; W235-K238 WeakPolarHBondContact O-CB 3.37Å; W235-K238 PolarHBondContact O-N 3.34Å; W235-M239 HydrophobicContact CD2-CE 4.05Å; W235-M239 HydrophobicContact CD2-CG 4.07Å; W235-M239 HydrophobicContact CD2-SD 4.41Å; W235-M239 VanDerWaalsContact CE2-CG 3.49Å; W235-M239 HydrophobicContact CE3-CE 3.84Å; W235-M239 HydrophobicContact CG-CG 4.41Å; W235-M239 HydrophobicContact CH2-CE 3.22Å; W235-M239 HydrophobicContact CH2-SD 3.67Å; W235-M239 HydrophobicContact CZ2-CE 3.44Å; W235-M239 VanDerWaalsContact CZ2-CE 3.44Å; W235-M239 HydrophobicContact CZ2-CG 3.79Å; W235-M239 HydrophobicContact CZ2-SD 3.23Å; W235-M239 WeakPolarHBondContact CZ2-SD 3.45Å; W235-M239 HydrophobicContact CZ3-CE 3.43Å; W235-M239 VanDerWaalsContact CZ3-CE 3.43Å; W235-M239 HydrophobicContact CZ3-SD 4.39Å; W235-M239 WeakPolarHBondContact O-CG 3.41Å; W235-M239 PolarHBondContact O-N 3.01Å |
| 236 | Q | 91.9 | Very high | 88.7 | Confident | 120 Ų | 120 | 67.5 Ų | 67.5 | 56% | 0.561 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58.1 | -44.7 | 177.1 | -62.2 | 92.5 | -40.5 | 0 | 0 | 111.9 | H234 M239 I240 | H234-Q236 PolarHBondContact O-N 3.17Å; H234-Q236 VanDerWaalsContact O-N 3.17Å; Q236-M239 PolarHBondContact O-N 3.47Å; Q236-I240 WeakPolarHBondContact O-CG1 3.27Å; Q236-I240 PolarHBondContact O-N 3.39Å |
| 237 | E | 91.9 | Very high | 89 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 5% | 0.051 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 178.2 | -62 | -54.2 | 145.1 | 0 | 0 | 111.3 | I233 H234 W235 M239 I240 V241 H293 Y294 Y297 L431 | I233-E237 HydrophobicContact CG2-CB 3.27Å; I233-E237 HydrophobicContact CG2-CG 4.12Å; H234-E237 HydrophobicContact CB-CG 4.42Å; H234-E237 WeakPolarHBondContact O-CB 3.31Å; H234-E237 PolarHBondContact O-N 3.18Å; W235-E237 VanDerWaalsContact C-N 3.33Å; W235-E237 PolarHBondContact O-N 3.15Å; E237-M239 VanDerWaalsContact C-N 3.31Å; E237-M239 PolarHBondContact O-N 3.19Å; E237-I240 PolarHBondContact O-N 3.49Å; E237-V241 PolarHBondContact O-N 3.39Å; E237-H293 IonicContact OE1-CE1 3.9Å; E237-H293 IonicContact OE1-NE2 3.25Å; E237-H293 PolarHBondContact OE1-NE2 3.39Å; E237-H293 IonicContact OE2-CD2 3.6Å; E237-H293 IonicContact OE2-NE2 3.05Å; E237-H293 PolarHBondContact OE2-NE2 3.04Å; E237-Y294 PolarHBondContact O-OH 3.34Å; E237-Y294 WeakPolarHBondContact OE2-CE1 3.23Å; E237-Y294 PolarHBondContact OE2-OH 3.47Å; E237-Y297 WeakPolarHBondContact OE1-CE2 3.4Å; E237-Y297 PolarHBondContact OE1-OH 3.4Å; E237-L431 HydrophobicContact CG-CD2 4.21Å |
| 238 | K | 93.4 | Very high | 89.4 | Confident | 31 Ų | 31 | 60 Ų | 60 | 14% | 0.135 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 171.9 | -66.2 | -171.3 | 177.3 | -171.5 | 0 | 111.2 | F225 L226 I233 H234 W235 I240 V241 Q242 | F225-K238 HydrophobicContact CE1-CB 4.06Å; F225-K238 HydrophobicContact CE1-CG 4.19Å; F225-K238 HydrophobicContact CZ-CG 4.37Å; L226-K238 PolarHBondContact O-NZ 3.13Å; I233-K238 HydrophobicContact CG2-CG 4.16Å; H234-K238 PolarHBondContact O-N 3.3Å; W235-K238 WeakPolarHBondContact O-CB 3.37Å; W235-K238 PolarHBondContact O-N 3.34Å; K238-I240 VanDerWaalsContact C-N 3.33Å; K238-I240 PolarHBondContact O-N 3.05Å; K238-V241 PolarHBondContact O-N 3.46Å; K238-Q242 VanDerWaalsContact O-CG 3.31Å; K238-Q242 WeakPolarHBondContact O-CG 3.4Å; K238-Q242 PolarHBondContact O-N 3.1Å |
| 239 | M | 94.8 | Very high | 90 | Very high | 60 Ų | 60 | 56.4 Ų | 56.4 | 30% | 0.296 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.1 | -36.4 | 179.4 | -69.4 | -54.5 | 93.6 | 0 | 0 | 112.9 | L226 W235 Q236 E237 Q242 V243 | L226-M239 HydrophobicContact CD2-CE 3.9Å; W235-M239 HydrophobicContact CD2-CE 4.05Å; W235-M239 HydrophobicContact CD2-CG 4.07Å; W235-M239 HydrophobicContact CD2-SD 4.41Å; W235-M239 VanDerWaalsContact CE2-CG 3.49Å; W235-M239 HydrophobicContact CE3-CE 3.84Å; W235-M239 HydrophobicContact CG-CG 4.41Å; W235-M239 HydrophobicContact CH2-CE 3.22Å; W235-M239 HydrophobicContact CH2-SD 3.67Å; W235-M239 HydrophobicContact CZ2-CE 3.44Å; W235-M239 VanDerWaalsContact CZ2-CE 3.44Å; W235-M239 HydrophobicContact CZ2-CG 3.79Å; W235-M239 HydrophobicContact CZ2-SD 3.23Å; W235-M239 WeakPolarHBondContact CZ2-SD 3.45Å; W235-M239 HydrophobicContact CZ3-CE 3.43Å; W235-M239 VanDerWaalsContact CZ3-CE 3.43Å; W235-M239 HydrophobicContact CZ3-SD 4.39Å; W235-M239 WeakPolarHBondContact O-CG 3.41Å; W235-M239 PolarHBondContact O-N 3.01Å; Q236-M239 PolarHBondContact O-N 3.47Å; E237-M239 VanDerWaalsContact C-N 3.31Å; E237-M239 PolarHBondContact O-N 3.19Å; M239-Q242 HydrophobicContact CE-CB 4.38Å; M239-Q242 HydrophobicContact CE-CG 3.89Å; M239-Q242 WeakPolarHBondContact O-CB 3.36Å; M239-Q242 PolarHBondContact O-N 3.43Å; M239-V243 PolarHBondContact O-N 3.18Å; M239-V243 VanDerWaalsContact O-N 3.13Å |
| 240 | I | 96.2 | Very high | 91.4 | Very high | 34 Ų | 34 | 53.7 Ų | 53.7 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 177.5 | -70.2 | 168.5 | 0 | 0 | 0 | 111 | Q236 E237 K238 Q242 V243 P290 H293 | Q236-I240 WeakPolarHBondContact O-CG1 3.27Å; Q236-I240 PolarHBondContact O-N 3.39Å; E237-I240 PolarHBondContact O-N 3.49Å; K238-I240 VanDerWaalsContact C-N 3.33Å; K238-I240 PolarHBondContact O-N 3.05Å; I240-Q242 VanDerWaalsContact C-N 3.33Å; I240-V243 WeakPolarHBondContact O-CB 3.47Å; I240-V243 PolarHBondContact O-N 2.85Å; I240-P290 HydrophobicContact CG2-CB 3.83Å; I240-H293 VanDerWaalsContact CD1-CD2 3.49Å; I240-H293 WeakPolarHBondContact CD1-CD2 3.38Å; I240-H293 WeakPolarHBondContact CD1-CE1 3.3Å; I240-H293 WeakPolarHBondContact CD1-NE2 3.45Å; I240-H293 HydrophobicContact CG2-CB 3.99Å |
| 241 | V | 96.2 | Very high | 92.9 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.8 | -33.6 | 173.5 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | F225 E237 K238 V243 F244 F245 Y294 I423 | F225-V241 HydrophobicContact CD1-CG1 4.43Å; F225-V241 HydrophobicContact CE1-CB 3.79Å; F225-V241 HydrophobicContact CE1-CG1 3.91Å; F225-V241 HydrophobicContact CE2-CG1 4.28Å; F225-V241 HydrophobicContact CZ-CB 3.73Å; F225-V241 HydrophobicContact CZ-CG1 3.82Å; F225-V241 HydrophobicContact CZ-CG2 3.99Å; E237-V241 PolarHBondContact O-N 3.39Å; K238-V241 PolarHBondContact O-N 3.46Å; V241-V243 PolarHBondContact O-N 3.45Å; V241-F244 WeakPolarHBondContact O-CB 3.19Å; V241-F244 PolarHBondContact O-N 3.04Å; V241-F245 HydrophobicContact CG1-CD2 4.01Å; V241-F245 HydrophobicContact CG1-CE2 3.7Å; V241-F245 PolarHBondContact O-N 2.98Å; V241-Y294 HydrophobicContact CG2-CE2 4.11Å; V241-I423 HydrophobicContact CG2-CG2 4.17Å |
| 242 | Q | 96.7 | Very high | 94.3 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.7 | -24.2 | 176 | -77.3 | -58.6 | -23.3 | 0 | 0 | 114.4 | S222 L226 K238 M239 I240 F244 F245 T246 | S222-Q242 PolarHBondContact O-NE2 2.9Å; S222-Q242 VanDerWaalsContact O-NE2 3.16Å; S222-Q242 PolarHBondContact OG-NE2 3.35Å; S222-Q242 PolarHBondContact OG-OE1 3.35Å; L226-Q242 HydrophobicContact CD2-CG 3.84Å; L226-Q242 HydrophobicContact CG-CG 4.41Å; K238-Q242 VanDerWaalsContact O-CG 3.31Å; K238-Q242 WeakPolarHBondContact O-CG 3.4Å; K238-Q242 PolarHBondContact O-N 3.1Å; M239-Q242 HydrophobicContact CE-CB 4.38Å; M239-Q242 HydrophobicContact CE-CG 3.89Å; M239-Q242 WeakPolarHBondContact O-CB 3.36Å; M239-Q242 PolarHBondContact O-N 3.43Å; I240-Q242 VanDerWaalsContact C-N 3.33Å; Q242-F244 VanDerWaalsContact C-N 3.26Å; Q242-F244 PolarHBondContact O-N 3.46Å; Q242-F245 PolarHBondContact O-N 3.1Å; Q242-T246 VanDerWaalsContact O-CB 3.3Å; Q242-T246 WeakPolarHBondContact O-CB 3.25Å; Q242-T246 PolarHBondContact O-N 3.07Å; Q242-T246 PolarHBondContact O-OG1 3.12Å |
| 243 | V | 97.9 | Very high | 95.4 | Very high | 63 Ų | 63 | 42.3 Ų | 42.3 | 38% | 0.382 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.3 | -43.5 | 170.7 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | M239 I240 V241 S247 V289 | M239-V243 PolarHBondContact O-N 3.18Å; M239-V243 VanDerWaalsContact O-N 3.13Å; I240-V243 WeakPolarHBondContact O-CB 3.47Å; I240-V243 PolarHBondContact O-N 2.85Å; V241-V243 PolarHBondContact O-N 3.45Å; V243-S247 WeakPolarHBondContact O-CB 3.36Å; V243-S247 PolarHBondContact O-N 2.87Å; V243-S247 PolarHBondContact O-OG 3.16Å; V243-V289 HydrophobicContact CB-CG1 4.45Å; V243-V289 HydrophobicContact CG1-CB 4.17Å; V243-V289 HydrophobicContact CG1-CG1 4.25Å; V243-V289 HydrophobicContact CG1-CG2 4.36Å |
| 244 | F | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.8 | -50.7 | 175.9 | 169.9 | -115.7 | 0 | 0 | 0 | 111.8 | F218 V241 Q242 T246 S247 A248 L283 G286 P290 A416 L420 I423 | F218-F244 AromaticContact CE1-CE1 3.81Å; F218-F244 HydrophobicContact CE1-CE1 3.81Å; F218-F244 AromaticContact CE1-CZ 3.84Å; F218-F244 HydrophobicContact CE1-CZ 3.84Å; F218-F244 HydrophobicContact CZ-CZ 4.35Å; V241-F244 WeakPolarHBondContact O-CB 3.19Å; V241-F244 PolarHBondContact O-N 3.04Å; Q242-F244 VanDerWaalsContact C-N 3.26Å; Q242-F244 PolarHBondContact O-N 3.46Å; F244-T246 VanDerWaalsContact C-N 3.34Å; F244-T246 PolarHBondContact O-N 2.78Å; F244-S247 PolarHBondContact O-N 3.47Å; F244-S247 VanDerWaalsContact O-N 3.16Å; F244-S247 PolarHBondContact O-OG 3.07Å; F244-A248 PolarHBondContact O-N 3.46Å; F244-L283 HydrophobicContact CE2-CD1 3.99Å; F244-G286 VanDerWaalsContact CA-O 3.29Å; F244-G286 WeakPolarHBondContact CA-O 3.25Å; F244-G286 WeakPolarHBondContact CB-O 3.35Å; F244-G286 PolarHBondContact N-O 3.47Å; F244-P290 HydrophobicContact CB-CG 3.93Å; F244-A416 HydrophobicContact CZ-CB 4.28Å; F244-A416 WeakPolarHBondContact CZ-O 3.45Å; F244-L420 HydrophobicContact CD1-CD1 4.06Å; F244-L420 HydrophobicContact CE1-CB 3.85Å; F244-L420 HydrophobicContact CE1-CD1 3.93Å; F244-L420 HydrophobicContact CE1-CG 4.38Å; F244-I423 HydrophobicContact CB-CD1 4.19Å; F244-I423 HydrophobicContact CD1-CD1 3.9Å; F244-I423 HydrophobicContact CD2-CD1 4.4Å; F244-I423 HydrophobicContact CE1-CD1 4.4Å; F244-I423 HydrophobicContact CG-CD1 3.89Å |
| 245 | F | 98.4 | Very high | 96.8 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55 | -48.8 | 177.8 | -80.1 | -63.6 | 0 | 0 | 0 | 112.3 | F218 L221 F225 V241 Q242 S247 A248 I249 L420 | F218-F245 HydrophobicContact CD1-CD1 4.01Å; F218-F245 HydrophobicContact CD1-CE1 4.31Å; L221-F245 HydrophobicContact CB-CE1 3.68Å; L221-F245 HydrophobicContact CB-CZ 4.29Å; F225-F245 HydrophobicContact CB-CE2 3.88Å; F225-F245 HydrophobicContact CB-CZ 4.17Å; F225-F245 HydrophobicContact CD1-CD2 4.45Å; F225-F245 AromaticContact CD1-CE2 3.92Å; F225-F245 HydrophobicContact CD1-CE2 3.92Å; F225-F245 AromaticContact CG-CE2 3.85Å; F225-F245 HydrophobicContact CG-CE2 3.85Å; F225-F245 HydrophobicContact CG-CZ 4.49Å; V241-F245 HydrophobicContact CG1-CD2 4.01Å; V241-F245 HydrophobicContact CG1-CE2 3.7Å; V241-F245 PolarHBondContact O-N 2.98Å; Q242-F245 PolarHBondContact O-N 3.1Å; F245-S247 VanDerWaalsContact C-N 3.32Å; F245-S247 PolarHBondContact O-N 2.88Å; F245-A248 PolarHBondContact O-N 3.43Å; F245-I249 WeakPolarHBondContact O-CB 3.4Å; F245-I249 WeakPolarHBondContact O-CD1 3.33Å; F245-I249 WeakPolarHBondContact O-CG1 3.47Å; F245-I249 PolarHBondContact O-N 3.2Å; F245-L420 HydrophobicContact CE1-CD1 4.29Å; F245-L420 HydrophobicContact CE1-CD2 4Å; F245-L420 HydrophobicContact CE2-CD1 4.29Å; F245-L420 HydrophobicContact CZ-CD1 3.78Å; F245-L420 HydrophobicContact CZ-CD2 3.97Å |
| 246 | T | 98.5 | Very high | 97.2 | Very high | 72 Ų | 72 | 30 Ų | 30 | 44% | 0.442 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.7 | -43.4 | 179.3 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | Q242 F244 A248 I249 L250 | Q242-T246 VanDerWaalsContact O-CB 3.3Å; Q242-T246 WeakPolarHBondContact O-CB 3.25Å; Q242-T246 PolarHBondContact O-N 3.07Å; Q242-T246 PolarHBondContact O-OG1 3.12Å; F244-T246 VanDerWaalsContact C-N 3.34Å; F244-T246 PolarHBondContact O-N 2.78Å; T246-A248 PolarHBondContact O-N 3.21Å; T246-I249 PolarHBondContact O-N 2.93Å; T246-L250 HydrophobicContact CG2-CD1 4.08Å; T246-L250 HydrophobicContact CG2-CG 4.46Å; T246-L250 WeakPolarHBondContact O-CB 3.35Å; T246-L250 VanDerWaalsContact O-CG 3.3Å; T246-L250 WeakPolarHBondContact O-CG 3.27Å; T246-L250 PolarHBondContact O-N 3.48Å |
| 247 | S | 98.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 6% | 0.056 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 177.8 | 73.3 | 0 | 0 | 0 | 0 | 113.2 | V243 F244 F245 L250 A251 L282 G286 | V243-S247 WeakPolarHBondContact O-CB 3.36Å; V243-S247 PolarHBondContact O-N 2.87Å; V243-S247 PolarHBondContact O-OG 3.16Å; F244-S247 PolarHBondContact O-N 3.47Å; F244-S247 VanDerWaalsContact O-N 3.16Å; F244-S247 PolarHBondContact O-OG 3.07Å; F245-S247 VanDerWaalsContact C-N 3.32Å; F245-S247 PolarHBondContact O-N 2.88Å; S247-L250 PolarHBondContact O-N 3.45Å; S247-A251 VanDerWaalsContact O-CB 3.3Å; S247-A251 WeakPolarHBondContact O-CB 3.23Å; S247-A251 PolarHBondContact O-N 2.83Å; S247-L282 VanDerWaalsContact CB-O 3.27Å; S247-L282 WeakPolarHBondContact CB-O 3.49Å; S247-G286 WeakPolarHBondContact OG-CA 3.38Å |
| 248 | A | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.1 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F218 F244 F245 T246 L250 A251 L252 L283 | F218-A248 HydrophobicContact CD1-CB 3.64Å; F218-A248 HydrophobicContact CE1-CB 3.91Å; F218-A248 HydrophobicContact CG-CB 4.01Å; F218-A248 HydrophobicContact CZ-CB 4.49Å; F244-A248 PolarHBondContact O-N 3.46Å; F245-A248 PolarHBondContact O-N 3.43Å; T246-A248 PolarHBondContact O-N 3.21Å; A248-L250 PolarHBondContact O-N 3.37Å; A248-A251 PolarHBondContact O-N 2.7Å; A248-L252 WeakPolarHBondContact O-CB 3.4Å; A248-L252 VanDerWaalsContact O-CG 3.22Å; A248-L252 WeakPolarHBondContact O-CG 3.45Å; A248-L252 PolarHBondContact O-N 3.29Å; A248-L283 HydrophobicContact CB-CD1 3.98Å |
| 249 | I | 98.8 | Very high | 98.1 | Very high | 28 Ų | 28 | 25.1 Ų | 25.1 | 14% | 0.144 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 175.5 | -69.1 | 165.7 | 0 | 0 | 0 | 110.4 | F215 F218 L219 F245 T246 G253 | F215-I249 HydrophobicContact CD2-CG2 4Å; F215-I249 VanDerWaalsContact CD2-O 3.27Å; F215-I249 WeakPolarHBondContact CD2-O 3.41Å; F215-I249 HydrophobicContact CE2-CG2 3.45Å; F215-I249 VanDerWaalsContact CE2-CG2 3.45Å; F215-I249 WeakPolarHBondContact CE2-O 3.5Å; F215-I249 HydrophobicContact CZ-CG2 4.15Å; F218-I249 HydrophobicContact CB-CG1 3.99Å; L219-I249 HydrophobicContact CD1-CD1 4.24Å; F245-I249 WeakPolarHBondContact O-CB 3.4Å; F245-I249 WeakPolarHBondContact O-CD1 3.33Å; F245-I249 WeakPolarHBondContact O-CG1 3.47Å; F245-I249 PolarHBondContact O-N 3.2Å; T246-I249 PolarHBondContact O-N 2.93Å; I249-G253 WeakPolarHBondContact O-CA 3.37Å; I249-G253 PolarHBondContact O-N 3.31Å |
| 250 | L | 98.7 | Very high | 98.3 | Very high | 70 Ų | 70 | 22.3 Ų | 22.3 | 37% | 0.366 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -65.1 | -45.6 | 177.4 | -73.2 | 173.6 | 0 | 0 | 0 | 112.1 | T246 S247 A248 G253 F254 L282 | T246-L250 HydrophobicContact CG2-CD1 4.08Å; T246-L250 HydrophobicContact CG2-CG 4.46Å; T246-L250 WeakPolarHBondContact O-CB 3.35Å; T246-L250 VanDerWaalsContact O-CG 3.3Å; T246-L250 WeakPolarHBondContact O-CG 3.27Å; T246-L250 PolarHBondContact O-N 3.48Å; S247-L250 PolarHBondContact O-N 3.45Å; A248-L250 PolarHBondContact O-N 3.37Å; L250-G253 PolarHBondContact O-N 2.91Å; L250-F254 HydrophobicContact CB-CE2 4.3Å; L250-F254 HydrophobicContact CD2-CZ 4.12Å; L250-F254 WeakPolarHBondContact O-CB 3.46Å; L250-F254 WeakPolarHBondContact O-CD2 3.01Å; L250-F254 VanDerWaalsContact O-CG 3.25Å; L250-F254 WeakPolarHBondContact O-CG 3.27Å; L250-F254 PolarHBondContact O-N 3.24Å; L250-L282 HydrophobicContact CD1-CD1 4.28Å |
| 251 | A | 98.7 | Very high | 98.4 | Very high | 10 Ų | 10 | 20.7 Ų | 20.7 | 8% | 0.083 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62 | -52.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S247 A248 G253 F254 S255 G279 L283 | S247-A251 VanDerWaalsContact O-CB 3.3Å; S247-A251 WeakPolarHBondContact O-CB 3.23Å; S247-A251 PolarHBondContact O-N 2.83Å; A248-A251 PolarHBondContact O-N 2.7Å; A251-G253 VanDerWaalsContact C-N 3.29Å; A251-G253 PolarHBondContact O-N 3.47Å; A251-F254 PolarHBondContact O-N 2.9Å; A251-S255 WeakPolarHBondContact O-CB 3.32Å; A251-S255 PolarHBondContact O-N 3.44Å; A251-G279 VanDerWaalsContact CB-O 3.22Å; A251-G279 WeakPolarHBondContact CB-O 3.34Å; A251-L283 HydrophobicContact CB-CB 3.81Å; A251-L283 HydrophobicContact CB-CD2 4.38Å |
| 252 | L | 98.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.4 | -38.8 | 177.9 | -62.7 | 171.6 | 0 | 0 | 0 | 110.7 | H211 F215 F218 A248 S255 W256 V413 | H211-L252 HydrophobicContact CB-CD2 4.24Å; F215-L252 HydrophobicContact CB-CB 4.03Å; F218-L252 HydrophobicContact CD2-CD1 3.67Å; F218-L252 HydrophobicContact CE2-CD1 4.26Å; F218-L252 HydrophobicContact CG-CD1 4.35Å; A248-L252 WeakPolarHBondContact O-CB 3.4Å; A248-L252 VanDerWaalsContact O-CG 3.22Å; A248-L252 WeakPolarHBondContact O-CG 3.45Å; A248-L252 PolarHBondContact O-N 3.29Å; L252-S255 PolarHBondContact O-N 2.87Å; L252-W256 PolarHBondContact O-N 2.61Å; L252-V413 HydrophobicContact CD2-CG2 3.96Å |
| 253 | G | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 21.2 Ų | 21.2 | 6% | 0.062 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58 | -52.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I249 L250 A251 S255 L257 | I249-G253 WeakPolarHBondContact O-CA 3.37Å; I249-G253 PolarHBondContact O-N 3.31Å; L250-G253 PolarHBondContact O-N 2.91Å; A251-G253 VanDerWaalsContact C-N 3.29Å; A251-G253 PolarHBondContact O-N 3.47Å; G253-S255 VanDerWaalsContact C-N 3.29Å; G253-S255 PolarHBondContact O-N 3.46Å; G253-L257 VanDerWaalsContact O-CB 3.3Å; G253-L257 WeakPolarHBondContact O-CB 3.44Å; G253-L257 WeakPolarHBondContact O-CD1 3.44Å; G253-L257 WeakPolarHBondContact O-CG 3.48Å; G253-L257 PolarHBondContact O-N 2.89Å |
| 254 | F | 98.7 | Very high | 98.5 | Very high | 48 Ų | 48 | 19.3 Ų | 19.3 | 21% | 0.211 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.6 | -38.3 | 176.7 | -65.6 | -28.8 | 0 | 0 | 0 | 112.1 | L250 A251 F258 L275 L282 | L250-F254 HydrophobicContact CB-CE2 4.3Å; L250-F254 HydrophobicContact CD2-CZ 4.12Å; L250-F254 WeakPolarHBondContact O-CB 3.46Å; L250-F254 WeakPolarHBondContact O-CD2 3.01Å; L250-F254 VanDerWaalsContact O-CG 3.25Å; L250-F254 WeakPolarHBondContact O-CG 3.27Å; L250-F254 PolarHBondContact O-N 3.24Å; A251-F254 PolarHBondContact O-N 2.9Å; F254-F258 VanDerWaalsContact O-CB 3.3Å; F254-F258 WeakPolarHBondContact O-CB 3.48Å; F254-F258 PolarHBondContact O-N 2.95Å; F254-L275 HydrophobicContact CB-CB 4.26Å; F254-L275 HydrophobicContact CD1-CB 4.35Å; F254-L275 HydrophobicContact CD2-CB 4.46Å; F254-L275 VanDerWaalsContact CD2-O 3.28Å; F254-L275 WeakPolarHBondContact CD2-O 3.42Å; F254-L275 HydrophobicContact CG-CB 4.13Å; F254-L282 HydrophobicContact CE2-CD1 4.15Å |
| 255 | S | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.007 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.6 | -54.1 | -178.5 | -167.7 | 0 | 0 | 0 | 0 | 113.2 | H211 A251 L252 G253 L257 F258 H259 D276 | H211-S255 PolarHBondContact CE1-OG 3.05Å; H211-S255 WeakPolarHBondContact ND1-CB 3.29Å; H211-S255 PolarHBondContact ND1-OG 2.94Å; A251-S255 WeakPolarHBondContact O-CB 3.32Å; A251-S255 PolarHBondContact O-N 3.44Å; L252-S255 PolarHBondContact O-N 2.87Å; G253-S255 VanDerWaalsContact C-N 3.29Å; G253-S255 PolarHBondContact O-N 3.46Å; S255-L257 VanDerWaalsContact C-N 3.25Å; S255-L257 PolarHBondContact O-N 3Å; S255-F258 WeakPolarHBondContact O-CB 3.45Å; S255-F258 PolarHBondContact O-N 3.29Å; S255-F258 VanDerWaalsContact O-N 3.13Å; S255-H259 PolarHBondContact O-CD2 2.92Å; S255-H259 VanDerWaalsContact O-CD2 3.22Å; S255-H259 PolarHBondContact O-N 2.77Å; S255-D276 WeakPolarHBondContact CA-OD1 3.08Å; S255-D276 WeakPolarHBondContact CB-OD1 3.45Å; S255-D276 PolarHBondContact OG-OD1 3.36Å |
| 256 | W | 98.8 | Very high | 98.4 | Very high | 37 Ų | 37 | 24.7 Ų | 24.7 | 14% | 0.14 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.1 | -33.3 | -179.2 | 81 | -103.8 | 0 | 0 | 0 | 111.5 | F195 I198 H211 L212 F215 L252 T260 | F195-W256 HydrophobicContact CD1-CZ3 4.49Å; F195-W256 AromaticContact CE1-CH2 3.93Å; F195-W256 HydrophobicContact CE1-CH2 3.93Å; F195-W256 AromaticContact CE1-CZ3 3.85Å; F195-W256 HydrophobicContact CE1-CZ3 3.85Å; I198-W256 HydrophobicContact CD1-CZ3 4.18Å; H211-W256 HydrophobicContact CB-CB 4.06Å; L212-W256 HydrophobicContact CB-CB 4.27Å; L212-W256 HydrophobicContact CB-CG 4.27Å; L212-W256 HydrophobicContact CD1-CD2 4.05Å; L212-W256 HydrophobicContact CD1-CE3 4.41Å; L212-W256 HydrophobicContact CD1-CG 4.36Å; L212-W256 HydrophobicContact CD1-CZ2 4.38Å; F215-W256 AromaticContact CG-NE1 4Å; L252-W256 PolarHBondContact O-N 2.61Å; W256-T260 WeakPolarHBondContact O-CB 3.42Å; W256-T260 PolarHBondContact O-N 3.28Å; W256-T260 PolarHBondContact O-OG1 3.46Å |
| 257 | L | 98.7 | Very high | 98.4 | Very high | 46 Ų | 46 | 31.6 Ų | 31.6 | 24% | 0.241 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.6 | -46.9 | 172.8 | -76.6 | 171.4 | 0 | 0 | 0 | 111.2 | F195 G253 S255 T260 V261 F272 | F195-L257 HydrophobicContact CE1-CD2 4.16Å; F195-L257 HydrophobicContact CZ-CD2 3.9Å; G253-L257 VanDerWaalsContact O-CB 3.3Å; G253-L257 WeakPolarHBondContact O-CB 3.44Å; G253-L257 WeakPolarHBondContact O-CD1 3.44Å; G253-L257 WeakPolarHBondContact O-CG 3.48Å; G253-L257 PolarHBondContact O-N 2.89Å; S255-L257 VanDerWaalsContact C-N 3.25Å; S255-L257 PolarHBondContact O-N 3Å; L257-T260 WeakPolarHBondContact O-CB 3.36Å; L257-T260 PolarHBondContact O-N 3.45Å; L257-T260 VanDerWaalsContact O-N 3.14Å; L257-V261 WeakPolarHBondContact O-CG2 3.27Å; L257-V261 PolarHBondContact O-N 2.91Å; L257-F272 HydrophobicContact CB-CD1 4.03Å; L257-F272 HydrophobicContact CB-CE1 3.91Å |
| 258 | F | 98.5 | Very high | 98.3 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 5% | 0.053 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55 | -55.3 | 174.9 | 164.5 | -116.1 | 0 | 0 | 0 | 111.4 | F254 S255 T260 V261 Y262 F272 N273 D276 | F254-F258 VanDerWaalsContact O-CB 3.3Å; F254-F258 WeakPolarHBondContact O-CB 3.48Å; F254-F258 PolarHBondContact O-N 2.95Å; S255-F258 WeakPolarHBondContact O-CB 3.45Å; S255-F258 PolarHBondContact O-N 3.29Å; S255-F258 VanDerWaalsContact O-N 3.13Å; F258-T260 PolarHBondContact O-N 2.97Å; F258-V261 CarbonylContact O-C 3.51Å; F258-V261 PolarHBondContact O-N 3.19Å; F258-V261 VanDerWaalsContact O-N 3.16Å; F258-Y262 AromaticContact CE2-CD2 3.55Å; F258-Y262 HydrophobicContact CE2-CD2 3.55Å; F258-Y262 HydrophobicContact CE2-CE2 4.27Å; F258-Y262 HydrophobicContact CE2-CG 4.2Å; F258-Y262 AromaticContact CZ-CD2 3.66Å; F258-Y262 HydrophobicContact CZ-CD2 3.66Å; F258-Y262 HydrophobicContact CZ-CE2 4.09Å; F258-Y262 HydrophobicContact CZ-CG 4.19Å; F258-Y262 WeakPolarHBondContact O-CA 3.27Å; F258-Y262 VanDerWaalsContact O-CB 3.29Å; F258-Y262 WeakPolarHBondContact O-CB 3.18Å; F258-Y262 PolarHBondContact O-N 2.84Å; F258-F272 HydrophobicContact CB-CB 3.93Å; F258-F272 VanDerWaalsContact CD2-C 3.49Å; F258-F272 HydrophobicContact CD2-CB 3.81Å; F258-F272 HydrophobicContact CG-CB 4.36Å; F258-N273 HydrophobicContact CD2-CB 4.02Å; F258-N273 VanDerWaalsContact CD2-N 3.26Å; F258-N273 HydrophobicContact CE2-CB 3.52Å; F258-N273 HydrophobicContact CZ-CB 3.97Å; F258-D276 HydrophobicContact CB-CB 4.08Å; F258-D276 HydrophobicContact CD1-CB 4.11Å; F258-D276 HydrophobicContact CG-CB 4.18Å |
| 259 | H | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.1 | -27.9 | 179.3 | -74 | -79.5 | 0 | 0 | 0 | 112.4 | R185 E204 N207 I208 S255 H405 H409 | R185-H259 PolarHBondContact NH2-O 2.9Å; E204-H259 IonicContact OE2-CE1 4Å; E204-H259 IonicContact OE2-CG 3.69Å; E204-H259 IonicContact OE2-ND1 3.06Å; E204-H259 PolarHBondContact OE2-ND1 2.96Å; N207-H259 HydrophobicContact CB-CB 4.26Å; I208-H259 HydrophobicContact CG1-CB 3.68Å; S255-H259 PolarHBondContact O-CD2 2.92Å; S255-H259 VanDerWaalsContact O-CD2 3.22Å; S255-H259 PolarHBondContact O-N 2.77Å; H259-H405 AromaticContact CE1-CD2 3.97Å; H259-H405 AromaticContact CE1-CE1 3.91Å; H259-H405 AromaticContact CE1-NE2 3.49Å; H259-H405 PolarHBondContact CE1-NE2 3.46Å; H259-H405 AromaticContact NE2-NE2 3.52Å; H259-H409 AromaticContact CD2-CE1 3.48Å; H259-H409 PolarHBondContact CD2-CE1 3.19Å; H259-H409 VanDerWaalsContact CD2-CE1 3.48Å; H259-H409 AromaticContact NE2-CE1 3.26Å; H259-H409 PolarHBondContact NE2-CE1 3.44Å; H259-H409 VanDerWaalsContact NE2-CE1 3.26Å; H259-H409 AromaticContact NE2-NE2 3.43Å; H259-H409 PolarHBondContact NE2-NE2 3.08Å |
| 260 | T | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.5 | -51.4 | 173.6 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | R185 F195 I198 W256 L257 F258 | R185-T260 PolarHBondContact NH1-O 2.98Å; F195-T260 HydrophobicContact CD1-CG2 3.88Å; F195-T260 HydrophobicContact CD2-CG2 4.41Å; F195-T260 HydrophobicContact CE1-CG2 4.1Å; F195-T260 HydrophobicContact CG-CG2 4.04Å; F195-T260 HydrophobicContact CZ-CG2 4.44Å; I198-T260 HydrophobicContact CD1-CG2 3.9Å; I198-T260 HydrophobicContact CG1-CG2 3.93Å; W256-T260 WeakPolarHBondContact O-CB 3.42Å; W256-T260 PolarHBondContact O-N 3.28Å; W256-T260 PolarHBondContact O-OG1 3.46Å; L257-T260 WeakPolarHBondContact O-CB 3.36Å; L257-T260 PolarHBondContact O-N 3.45Å; L257-T260 VanDerWaalsContact O-N 3.14Å; F258-T260 PolarHBondContact O-N 2.97Å |
| 261 | V | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -92.7 | 2.7 | -173.8 | -51.7 | 0 | 0 | 0 | 0 | 114 | F191 F195 L257 F258 C263 H264 V268 F272 | F191-V261 HydrophobicContact CD1-CB 4.39Å; F191-V261 HydrophobicContact CD1-CG1 3.77Å; F191-V261 HydrophobicContact CE1-CB 4.17Å; F191-V261 HydrophobicContact CE1-CG1 3.88Å; F195-V261 HydrophobicContact CE2-CG1 4.08Å; F195-V261 HydrophobicContact CZ-CG1 4.49Å; L257-V261 WeakPolarHBondContact O-CG2 3.27Å; L257-V261 PolarHBondContact O-N 2.91Å; F258-V261 CarbonylContact O-C 3.51Å; F258-V261 PolarHBondContact O-N 3.19Å; F258-V261 VanDerWaalsContact O-N 3.16Å; V261-C263 PolarHBondContact O-N 3.08Å; V261-C263 VanDerWaalsContact O-N 3.13Å; V261-H264 WeakPolarHBondContact O-CB 3.5Å; V261-H264 PolarHBondContact O-N 3.43Å; V261-V268 HydrophobicContact CB-CG1 4.1Å; V261-V268 HydrophobicContact CG2-CG1 3.82Å; V261-F272 HydrophobicContact CG2-CB 3.94Å; V261-F272 HydrophobicContact CG2-CD1 3.85Å; V261-F272 HydrophobicContact CG2-CD2 3.56Å; V261-F272 HydrophobicContact CG2-CE1 4.22Å; V261-F272 HydrophobicContact CG2-CE2 3.95Å; V261-F272 HydrophobicContact CG2-CG 3.49Å; V261-F272 VanDerWaalsContact CG2-CG 3.49Å; V261-F272 HydrophobicContact CG2-CZ 4.26Å |
| 262 | Y | 98 | Very high | 98.1 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 11% | 0.114 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -39.6 | -177.9 | 176.7 | -133.8 | 0 | 0 | 0 | 112.2 | W173 L174 E204 F258 H264 | W173-Y262 VanDerWaalsContact CH2-O 3.27Å; W173-Y262 WeakPolarHBondContact CH2-O 3.34Å; W173-Y262 WeakPolarHBondContact CZ3-O 3.45Å; L174-Y262 WeakPolarHBondContact CA-OH 3.22Å; L174-Y262 HydrophobicContact CD2-CD1 4.02Å; L174-Y262 HydrophobicContact CD2-CD2 4.11Å; L174-Y262 HydrophobicContact CD2-CE1 3.74Å; L174-Y262 HydrophobicContact CD2-CE2 3.85Å; L174-Y262 HydrophobicContact CD2-CG 4.19Å; L174-Y262 WeakPolarHBondContact CD2-O 3.31Å; L174-Y262 PolarHBondContact O-OH 3.45Å; E204-Y262 HydrophobicContact CG-CD1 4.37Å; F258-Y262 AromaticContact CE2-CD2 3.55Å; F258-Y262 HydrophobicContact CE2-CD2 3.55Å; F258-Y262 HydrophobicContact CE2-CE2 4.27Å; F258-Y262 HydrophobicContact CE2-CG 4.2Å; F258-Y262 AromaticContact CZ-CD2 3.66Å; F258-Y262 HydrophobicContact CZ-CD2 3.66Å; F258-Y262 HydrophobicContact CZ-CE2 4.09Å; F258-Y262 HydrophobicContact CZ-CG 4.19Å; F258-Y262 WeakPolarHBondContact O-CA 3.27Å; F258-Y262 VanDerWaalsContact O-CB 3.29Å; F258-Y262 WeakPolarHBondContact O-CB 3.18Å; F258-Y262 PolarHBondContact O-N 2.84Å; Y262-H264 VanDerWaalsContact C-N 3.31Å; Y262-H264 PolarHBondContact O-N 3.44Å |
| 263 | C | 97.6 | Very high | 98 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 3.2 | -179.9 | 63 | 0 | 0 | 0 | 0 | 115.6 | R185 Q187 L188 V261 | R185-C263 HydrophobicContact CB-CB 3.93Å; Q187-C263 CarbonylContact C-O 3.25Å; Q187-C263 VanDerWaalsContact CA-O 3.31Å; Q187-C263 WeakPolarHBondContact CA-O 3.42Å; L188-C263 PolarHBondContact N-O 3.06Å; V261-C263 PolarHBondContact O-N 3.08Å; V261-C263 VanDerWaalsContact O-N 3.13Å |
| 264 | H | 98.3 | Very high | 97.9 | Very high | 24 Ų | 24 | 40.4 Ų | 40.4 | 11% | 0.111 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -67.8 | -63.2 | -170.3 | -175.1 | -75.3 | 0 | 0 | 0 | 113.9 | Q187 L188 P189 F191 V261 Y262 V268 | Q187-H264 WeakPolarHBondContact CG-O 3.3Å; L188-H264 CarbonylContact C-O 3.59Å; L188-H264 VanDerWaalsContact O-CA 3.26Å; L188-H264 WeakPolarHBondContact O-CA 3.13Å; P189-H264 WeakPolarHBondContact CA-O 3.29Å; F191-H264 AromaticContact CD1-CD2 3.99Å; F191-H264 AromaticContact CD2-CD2 3.93Å; F191-H264 AromaticContact CD2-NE2 3.54Å; F191-H264 AromaticContact CE2-NE2 3.61Å; F191-H264 AromaticContact CG-CD2 3.9Å; F191-H264 AromaticContact CG-NE2 3.99Å; F191-H264 PolarHBondContact N-CD2 2.79Å; V261-H264 WeakPolarHBondContact O-CB 3.5Å; V261-H264 PolarHBondContact O-N 3.43Å; Y262-H264 VanDerWaalsContact C-N 3.31Å; Y262-H264 PolarHBondContact O-N 3.44Å; H264-V268 HydrophobicContact CB-CB 4.05Å; H264-V268 HydrophobicContact CB-CG1 3.88Å |
| 265 | S | 97.8 | Very high | 97.9 | Very high | 28 Ų | 28 | 40.7 Ų | 40.7 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | trans | -167.4 | 155.5 | -178.2 | 59.9 | 0 | 0 | 0 | 0 | 107.5 | W173 R267 V268 G269 | W173-S265 VanDerWaalsContact CH2-C 3.4Å; S265-R267 VanDerWaalsContact C-N 3.25Å; S265-R267 PolarHBondContact O-N 3.33Å; S265-R267 VanDerWaalsContact O-N 3.15Å; S265-V268 PolarHBondContact O-N 3.22Å; S265-V268 VanDerWaalsContact O-N 3.12Å; S265-V268 WeakPolarHBondContact OG-CB 3.3Å; S265-V268 WeakPolarHBondContact OG-CG2 3.3Å; S265-V268 PolarHBondContact OG-N 2.76Å; S265-G269 PolarHBondContact O-N 3.42Å | ||
| 266 | E | 96.9 | Very high | 97.9 | Very high | 88 Ų | 88 | 41.2 Ų | 41.2 | 41% | 0.411 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -53.1 | -41.6 | -178.2 | -174.3 | 177 | 175.6 | 0 | 0 | 113.1 | W173 G269 K270 | W173-E266 HydrophobicContact CB-CB 4.43Å; W173-E266 HydrophobicContact CB-CG 3.91Å; W173-E266 HydrophobicContact CD2-CB 3.88Å; W173-E266 HydrophobicContact CD2-CG 4.26Å; W173-E266 HydrophobicContact CE3-CB 4.35Å; W173-E266 HydrophobicContact CG-CB 3.87Å; W173-E266 HydrophobicContact CG-CG 3.91Å; E266-G269 PolarHBondContact O-N 3.45Å; E266-K270 HydrophobicContact CG-CD 4.22Å; E266-K270 HydrophobicContact CG-CG 4.5Å; E266-K270 WeakPolarHBondContact O-CB 3.43Å; E266-K270 WeakPolarHBondContact O-CG 3.23Å; E266-K270 PolarHBondContact O-N 3.31Å; E266-K270 WeakPolarHBondContact OE1-CE 3.25Å; E266-K270 IonicContact OE1-NZ 2.71Å; E266-K270 PolarHBondContact OE1-NZ 3.17Å |
| 267 | R | 97.1 | Very high | 97.8 | Very high | 218 Ų | 218 | 40.1 Ų | 40.1 | 82% | 0.823 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -62.4 | -49.1 | 178.7 | -176.6 | 177.1 | 178.8 | 165.6 | 0.1 | 112.5 | S265 L271 | S265-R267 VanDerWaalsContact C-N 3.25Å; S265-R267 PolarHBondContact O-N 3.33Å; S265-R267 VanDerWaalsContact O-N 3.15Å; R267-L271 WeakPolarHBondContact O-CB 3.35Å; R267-L271 PolarHBondContact O-N 3.46Å |
| 268 | V | 97.9 | Very high | 97.8 | Very high | 22 Ų | 22 | 39.9 Ų | 39.9 | 13% | 0.133 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.1 | -44.2 | 178.9 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | F191 V261 H264 S265 K270 L271 F272 | F191-V268 HydrophobicContact CE1-CG1 3.89Å; F191-V268 HydrophobicContact CZ-CG1 3.95Å; F191-V268 HydrophobicContact CZ-CG2 4.02Å; V261-V268 HydrophobicContact CB-CG1 4.1Å; V261-V268 HydrophobicContact CG2-CG1 3.82Å; H264-V268 HydrophobicContact CB-CB 4.05Å; H264-V268 HydrophobicContact CB-CG1 3.88Å; S265-V268 PolarHBondContact O-N 3.22Å; S265-V268 VanDerWaalsContact O-N 3.12Å; S265-V268 WeakPolarHBondContact OG-CB 3.3Å; S265-V268 WeakPolarHBondContact OG-CG2 3.3Å; S265-V268 PolarHBondContact OG-N 2.76Å; V268-K270 PolarHBondContact O-N 3.23Å; V268-L271 PolarHBondContact O-N 3.07Å; V268-F272 HydrophobicContact CG1-CD2 3.93Å; V268-F272 HydrophobicContact CG1-CE2 4.16Å; V268-F272 WeakPolarHBondContact O-CD2 3.36Å; V268-F272 PolarHBondContact O-N 3.5Å |
| 269 | G | 96.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.2 | -47.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S265 E266 N273 | S265-G269 PolarHBondContact O-N 3.42Å; E266-G269 PolarHBondContact O-N 3.45Å; G269-N273 WeakPolarHBondContact O-CB 3.17Å; G269-N273 PolarHBondContact O-N 2.91Å |
| 270 | K | 96.6 | Very high | 97.8 | Very high | 77 Ų | 77 | 41.1 Ų | 41.1 | 34% | 0.335 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 176 | -75 | -178.6 | -176.6 | 172 | 0 | 112.7 | E266 V268 N273 K274 L327 | E266-K270 HydrophobicContact CG-CD 4.22Å; E266-K270 HydrophobicContact CG-CG 4.5Å; E266-K270 WeakPolarHBondContact O-CB 3.43Å; E266-K270 WeakPolarHBondContact O-CG 3.23Å; E266-K270 PolarHBondContact O-N 3.31Å; E266-K270 WeakPolarHBondContact OE1-CE 3.25Å; E266-K270 IonicContact OE1-NZ 2.71Å; E266-K270 PolarHBondContact OE1-NZ 3.17Å; V268-K270 PolarHBondContact O-N 3.23Å; K270-N273 PolarHBondContact O-N 3.45Å; K270-K274 VanDerWaalsContact O-CG 3.31Å; K270-K274 WeakPolarHBondContact O-CG 3.29Å; K270-K274 PolarHBondContact O-N 2.69Å; K270-L327 HydrophobicContact CB-CD1 4.16Å; K270-L327 HydrophobicContact CG-CD1 3.99Å |
| 271 | L | 97.7 | Very high | 97.7 | Very high | 97 Ų | 97 | 41.3 Ų | 41.3 | 51% | 0.508 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.4 | -50.6 | 179.4 | 175.3 | 62.6 | 0 | 0 | 0 | 111.5 | R267 V268 K274 L275 | R267-L271 WeakPolarHBondContact O-CB 3.35Å; R267-L271 PolarHBondContact O-N 3.46Å; V268-L271 PolarHBondContact O-N 3.07Å; L271-K274 WeakPolarHBondContact O-CB 3.25Å; L271-K274 PolarHBondContact O-N 3.34Å; L271-L275 PolarHBondContact O-N 3.45Å; L271-L275 VanDerWaalsContact O-N 3.1Å |
| 272 | F | 98.1 | Very high | 97.7 | Very high | 39 Ų | 39 | 44 Ų | 44 | 17% | 0.171 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.6 | -29.3 | -178.5 | -82.9 | -97.7 | 0 | 0 | 0 | 112.7 | L257 F258 V261 V268 K274 L275 D276 | L257-F272 HydrophobicContact CB-CD1 4.03Å; L257-F272 HydrophobicContact CB-CE1 3.91Å; F258-F272 HydrophobicContact CB-CB 3.93Å; F258-F272 VanDerWaalsContact CD2-C 3.49Å; F258-F272 HydrophobicContact CD2-CB 3.81Å; F258-F272 HydrophobicContact CG-CB 4.36Å; V261-F272 HydrophobicContact CG2-CB 3.94Å; V261-F272 HydrophobicContact CG2-CD1 3.85Å; V261-F272 HydrophobicContact CG2-CD2 3.56Å; V261-F272 HydrophobicContact CG2-CE1 4.22Å; V261-F272 HydrophobicContact CG2-CE2 3.95Å; V261-F272 HydrophobicContact CG2-CG 3.49Å; V261-F272 VanDerWaalsContact CG2-CG 3.49Å; V261-F272 HydrophobicContact CG2-CZ 4.26Å; V268-F272 HydrophobicContact CG1-CD2 3.93Å; V268-F272 HydrophobicContact CG1-CE2 4.16Å; V268-F272 WeakPolarHBondContact O-CD2 3.36Å; V268-F272 PolarHBondContact O-N 3.5Å; F272-K274 VanDerWaalsContact C-N 3.33Å; F272-L275 HydrophobicContact CD1-CD1 4.37Å; F272-L275 PolarHBondContact O-N 3.16Å; F272-D276 WeakPolarHBondContact O-CB 3.45Å; F272-D276 PolarHBondContact O-N 2.81Å |
| 273 | N | 96.8 | Very high | 97.8 | Very high | 20 Ų | 20 | 43.1 Ų | 43.1 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 170.8 | -170.2 | -15.2 | 0 | 0 | 0 | 111 | F258 G269 K270 L275 D276 Y277 L327 | F258-N273 HydrophobicContact CD2-CB 4.02Å; F258-N273 VanDerWaalsContact CD2-N 3.26Å; F258-N273 HydrophobicContact CE2-CB 3.52Å; F258-N273 HydrophobicContact CZ-CB 3.97Å; G269-N273 WeakPolarHBondContact O-CB 3.17Å; G269-N273 PolarHBondContact O-N 2.91Å; K270-N273 PolarHBondContact O-N 3.45Å; N273-L275 PolarHBondContact O-N 3Å; N273-D276 WeakPolarHBondContact O-CB 3.31Å; N273-D276 PolarHBondContact O-N 3.26Å; N273-Y277 PolarHBondContact O-N 2.93Å; N273-Y277 VanDerWaalsContact O-N 3.09Å; N273-Y277 WeakPolarHBondContact OD1-CE2 3.45Å; N273-Y277 PolarHBondContact OD1-OH 3.43Å; N273-L327 HydrophobicContact CB-CD2 4.44Å |
| 274 | K | 98.1 | Very high | 97.8 | Very high | 54 Ų | 54 | 43.9 Ų | 43.9 | 24% | 0.235 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -43.1 | 173.6 | -71.1 | -178.7 | -170.3 | -157.4 | 0 | 112.1 | K270 L271 F272 Y277 V278 T322 D324 L327 | K270-K274 VanDerWaalsContact O-CG 3.31Å; K270-K274 WeakPolarHBondContact O-CG 3.29Å; K270-K274 PolarHBondContact O-N 2.69Å; L271-K274 WeakPolarHBondContact O-CB 3.25Å; L271-K274 PolarHBondContact O-N 3.34Å; F272-K274 VanDerWaalsContact C-N 3.33Å; K274-Y277 PolarHBondContact O-N 2.92Å; K274-V278 WeakPolarHBondContact O-CG2 3.37Å; K274-V278 PolarHBondContact O-N 3.29Å; K274-T322 HydrophobicContact CB-CG2 4.04Å; K274-T322 WeakPolarHBondContact CD-O 3.14Å; K274-T322 WeakPolarHBondContact CE-O 3.22Å; K274-T322 HydrophobicContact CG-CG2 4.3Å; K274-T322 PolarHBondContact NZ-O 2.9Å; K274-D324 WeakPolarHBondContact CE-OD1 3.16Å; K274-D324 IonicContact NZ-OD1 2.65Å; K274-D324 PolarHBondContact NZ-OD1 3.46Å; K274-L327 HydrophobicContact CG-CD1 4.28Å; K274-L327 HydrophobicContact CG-CD2 4.13Å |
| 275 | L | 98.3 | Very high | 97.8 | Very high | 54 Ų | 54 | 44 Ų | 44 | 28% | 0.283 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.2 | -39.3 | 176.8 | -69.2 | 174.4 | 0 | 0 | 0 | 112.2 | F254 L271 F272 N273 V278 G279 | F254-L275 HydrophobicContact CB-CB 4.26Å; F254-L275 HydrophobicContact CD1-CB 4.35Å; F254-L275 HydrophobicContact CD2-CB 4.46Å; F254-L275 VanDerWaalsContact CD2-O 3.28Å; F254-L275 WeakPolarHBondContact CD2-O 3.42Å; F254-L275 HydrophobicContact CG-CB 4.13Å; L271-L275 PolarHBondContact O-N 3.45Å; L271-L275 VanDerWaalsContact O-N 3.1Å; F272-L275 HydrophobicContact CD1-CD1 4.37Å; F272-L275 PolarHBondContact O-N 3.16Å; N273-L275 PolarHBondContact O-N 3Å; L275-V278 PolarHBondContact O-N 2.78Å; L275-G279 PolarHBondContact O-N 3.41Å |
| 276 | D | 98.1 | Very high | 97.8 | Very high | 13 Ų | 13 | 42.8 Ų | 42.8 | 7% | 0.07 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.9 | -47.4 | 175 | -176.2 | 40.2 | 0 | 0 | 0 | 111.1 | S255 F258 F272 N273 V278 G279 I280 | S255-D276 WeakPolarHBondContact CA-OD1 3.08Å; S255-D276 WeakPolarHBondContact CB-OD1 3.45Å; S255-D276 PolarHBondContact OG-OD1 3.36Å; F258-D276 HydrophobicContact CB-CB 4.08Å; F258-D276 HydrophobicContact CD1-CB 4.11Å; F258-D276 HydrophobicContact CG-CB 4.18Å; F272-D276 WeakPolarHBondContact O-CB 3.45Å; F272-D276 PolarHBondContact O-N 2.81Å; N273-D276 WeakPolarHBondContact O-CB 3.31Å; N273-D276 PolarHBondContact O-N 3.26Å; D276-V278 PolarHBondContact O-N 3.35Å; D276-G279 WeakPolarHBondContact O-CA 3.38Å; D276-G279 PolarHBondContact O-N 3.36Å; D276-I280 PolarHBondContact O-N 3.2Å; D276-I280 VanDerWaalsContact O-N 3.17Å |
| 277 | Y | 97.4 | Very high | 97.8 | Very high | 14 Ų | 14 | 39.1 Ų | 39.1 | 6% | 0.055 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.3 | -37.3 | 175 | -64.8 | -20.4 | 0 | 0 | 0 | 114 | N273 K274 G279 I280 S281 C321 L327 R335 F339 | N273-Y277 PolarHBondContact O-N 2.93Å; N273-Y277 VanDerWaalsContact O-N 3.09Å; N273-Y277 WeakPolarHBondContact OD1-CE2 3.45Å; N273-Y277 PolarHBondContact OD1-OH 3.43Å; K274-Y277 PolarHBondContact O-N 2.92Å; Y277-G279 VanDerWaalsContact C-N 3.25Å; Y277-G279 PolarHBondContact O-N 2.85Å; Y277-I280 HydrophobicContact CD1-CD1 4.33Å; Y277-I280 PolarHBondContact O-N 3.37Å; Y277-S281 PolarHBondContact O-N 3.26Å; Y277-C321 HydrophobicContact CD2-CB 3.94Å; Y277-C321 WeakPolarHBondContact CD2-O 3.5Å; Y277-C321 HydrophobicContact CG-CB 4.12Å; Y277-L327 HydrophobicContact CD2-CD2 3.89Å; Y277-L327 HydrophobicContact CE2-CD2 3.56Å; Y277-R335 VanDerWaalsContact CE2-CD 3.5Å; Y277-R335 WeakPolarHBondContact OH-CD 3.48Å; Y277-R335 PolarHBondContact OH-NE 3.07Å; Y277-F339 HydrophobicContact CD1-CE2 4.42Å |
| 278 | V | 98.3 | Very high | 97.8 | Very high | 40 Ų | 40 | 29.5 Ų | 29.5 | 24% | 0.242 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.9 | -38.1 | 171.1 | 169.6 | 0 | 0 | 0 | 0 | 110.5 | K274 L275 D276 I280 S281 L282 A318 T322 | K274-V278 WeakPolarHBondContact O-CG2 3.37Å; K274-V278 PolarHBondContact O-N 3.29Å; L275-V278 PolarHBondContact O-N 2.78Å; D276-V278 PolarHBondContact O-N 3.35Å; V278-I280 VanDerWaalsContact C-N 3.34Å; V278-I280 PolarHBondContact O-N 3.16Å; V278-S281 WeakPolarHBondContact O-CB 3.14Å; V278-S281 PolarHBondContact O-N 2.93Å; V278-L282 HydrophobicContact CG1-CD1 3.98Å; V278-L282 HydrophobicContact CG1-CG 4.17Å; V278-L282 WeakPolarHBondContact O-CG 3.23Å; V278-L282 PolarHBondContact O-N 3.46Å; V278-A318 HydrophobicContact CG2-CB 4.37Å; V278-T322 HydrophobicContact CG2-CG2 3.79Å |
| 279 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -54.4 | -47.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A251 L275 D276 Y277 S281 L282 L283 | A251-G279 VanDerWaalsContact CB-O 3.22Å; A251-G279 WeakPolarHBondContact CB-O 3.34Å; L275-G279 PolarHBondContact O-N 3.41Å; D276-G279 WeakPolarHBondContact O-CA 3.38Å; D276-G279 PolarHBondContact O-N 3.36Å; Y277-G279 VanDerWaalsContact C-N 3.25Å; Y277-G279 PolarHBondContact O-N 2.85Å; G279-S281 PolarHBondContact O-N 3.27Å; G279-L282 PolarHBondContact O-N 3.4Å; G279-L283 PolarHBondContact O-N 3.1Å |
| 280 | I | 97.8 | Very high | 97.8 | Very high | 41 Ų | 41 | 29.5 Ų | 29.5 | 21% | 0.21 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.5 | -46.6 | 176.8 | -58.1 | 172.8 | 0 | 0 | 0 | 110.9 | D276 Y277 V278 L282 L283 V284 F339 | D276-I280 PolarHBondContact O-N 3.2Å; D276-I280 VanDerWaalsContact O-N 3.17Å; Y277-I280 HydrophobicContact CD1-CD1 4.33Å; Y277-I280 PolarHBondContact O-N 3.37Å; V278-I280 VanDerWaalsContact C-N 3.34Å; V278-I280 PolarHBondContact O-N 3.16Å; I280-L282 VanDerWaalsContact C-N 3.35Å; I280-L282 PolarHBondContact O-N 3.38Å; I280-L283 PolarHBondContact O-N 3.4Å; I280-V284 WeakPolarHBondContact O-CG2 3.38Å; I280-V284 PolarHBondContact O-N 2.91Å; I280-V284 VanDerWaalsContact O-N 3.12Å; I280-F339 HydrophobicContact CB-CD1 4.18Å; I280-F339 HydrophobicContact CB-CE1 3.89Å; I280-F339 HydrophobicContact CB-CE2 4.43Å; I280-F339 HydrophobicContact CB-CZ 4.02Å; I280-F339 HydrophobicContact CD1-CD2 4.21Å; I280-F339 HydrophobicContact CD1-CE2 3.97Å; I280-F339 HydrophobicContact CD1-CZ 4.32Å; I280-F339 HydrophobicContact CG2-CB 4.21Å; I280-F339 HydrophobicContact CG2-CD1 3.47Å; I280-F339 VanDerWaalsContact CG2-CD1 3.47Å; I280-F339 HydrophobicContact CG2-CD2 4.18Å; I280-F339 HydrophobicContact CG2-CE1 3.72Å; I280-F339 HydrophobicContact CG2-CE2 4.39Å; I280-F339 HydrophobicContact CG2-CG 3.71Å; I280-F339 HydrophobicContact CG2-CZ 4.17Å |
| 281 | S | 98.1 | Very high | 97.8 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.4 | -45 | 176.4 | -70.7 | 0 | 0 | 0 | 0 | 112.1 | Y277 V278 G279 L283 V284 I285 G314 A318 | Y277-S281 PolarHBondContact O-N 3.26Å; V278-S281 WeakPolarHBondContact O-CB 3.14Å; V278-S281 PolarHBondContact O-N 2.93Å; G279-S281 PolarHBondContact O-N 3.27Å; S281-L283 PolarHBondContact O-N 3.42Å; S281-V284 PolarHBondContact O-N 3.33Å; S281-I285 VanDerWaalsContact O-CG1 3.27Å; S281-I285 WeakPolarHBondContact O-CG1 3.23Å; S281-I285 PolarHBondContact O-N 3.34Å; S281-G314 PolarHBondContact OG-O 3.41Å; S281-A318 PolarHBondContact OG-N 3.28Å |
| 282 | L | 98.4 | Very high | 97.7 | Very high | 58 Ų | 58 | 22 Ų | 22 | 30% | 0.304 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 178.7 | -70.9 | 175.1 | 0 | 0 | 0 | 111.6 | S247 L250 F254 V278 G279 I280 V284 I285 G286 | S247-L282 VanDerWaalsContact CB-O 3.27Å; S247-L282 WeakPolarHBondContact CB-O 3.49Å; L250-L282 HydrophobicContact CD1-CD1 4.28Å; F254-L282 HydrophobicContact CE2-CD1 4.15Å; V278-L282 HydrophobicContact CG1-CD1 3.98Å; V278-L282 HydrophobicContact CG1-CG 4.17Å; V278-L282 WeakPolarHBondContact O-CG 3.23Å; V278-L282 PolarHBondContact O-N 3.46Å; G279-L282 PolarHBondContact O-N 3.4Å; I280-L282 VanDerWaalsContact C-N 3.35Å; I280-L282 PolarHBondContact O-N 3.38Å; L282-V284 PolarHBondContact O-N 3.46Å; L282-I285 PolarHBondContact O-N 3.36Å; L282-G286 PolarHBondContact O-N 3.42Å |
| 283 | L | 98.4 | Very high | 97.6 | Very high | 10 Ų | 10 | 21.1 Ų | 21.1 | 5% | 0.052 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 177.2 | 174.2 | 58.8 | 0 | 0 | 0 | 111.8 | F244 A248 A251 G279 I280 S281 G286 S287 V412 | F244-L283 HydrophobicContact CE2-CD1 3.99Å; A248-L283 HydrophobicContact CB-CD1 3.98Å; A251-L283 HydrophobicContact CB-CB 3.81Å; A251-L283 HydrophobicContact CB-CD2 4.38Å; G279-L283 PolarHBondContact O-N 3.1Å; I280-L283 PolarHBondContact O-N 3.4Å; S281-L283 PolarHBondContact O-N 3.42Å; L283-G286 PolarHBondContact O-N 3.45Å; L283-S287 WeakPolarHBondContact O-CB 3.1Å; L283-S287 PolarHBondContact O-N 2.89Å; L283-S287 PolarHBondContact O-OG 3.26Å; L283-S287 VanDerWaalsContact O-OG 3.07Å; L283-V412 HydrophobicContact CD2-CG1 4.11Å |
| 284 | V | 97.9 | Very high | 97.5 | Very high | 19 Ų | 19 | 20.3 Ų | 20.3 | 12% | 0.115 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.9 | -39.5 | 178.9 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | I280 S281 L282 S287 S288 F342 | I280-V284 WeakPolarHBondContact O-CG2 3.38Å; I280-V284 PolarHBondContact O-N 2.91Å; I280-V284 VanDerWaalsContact O-N 3.12Å; S281-V284 PolarHBondContact O-N 3.33Å; L282-V284 PolarHBondContact O-N 3.46Å; V284-S287 PolarHBondContact O-OG 3.04Å; V284-S288 WeakPolarHBondContact O-CB 3.22Å; V284-S288 PolarHBondContact O-N 3.21Å; V284-S288 PolarHBondContact O-OG 3.47Å; V284-F342 HydrophobicContact CB-CD1 3.86Å; V284-F342 HydrophobicContact CB-CE1 3.51Å; V284-F342 HydrophobicContact CB-CZ 4.08Å; V284-F342 HydrophobicContact CG1-CD1 3.66Å; V284-F342 HydrophobicContact CG1-CD2 4.23Å; V284-F342 HydrophobicContact CG1-CE1 3.46Å; V284-F342 VanDerWaalsContact CG1-CE1 3.46Å; V284-F342 HydrophobicContact CG1-CE2 4.04Å; V284-F342 HydrophobicContact CG1-CG 4.04Å; V284-F342 HydrophobicContact CG1-CZ 3.65Å; V284-F342 HydrophobicContact CG2-CD1 4.23Å; V284-F342 HydrophobicContact CG2-CE1 4.33Å |
| 285 | I | 98.4 | Very high | 97.2 | Very high | 26 Ų | 26 | 17.9 Ų | 17.9 | 13% | 0.133 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.7 | -54.8 | 173.4 | -67.9 | 165.5 | 0 | 0 | 0 | 109.8 | S281 L282 S287 S288 V289 V310 L311 F342 | S281-I285 VanDerWaalsContact O-CG1 3.27Å; S281-I285 WeakPolarHBondContact O-CG1 3.23Å; S281-I285 PolarHBondContact O-N 3.34Å; L282-I285 PolarHBondContact O-N 3.36Å; I285-S287 VanDerWaalsContact C-N 3.31Å; I285-S287 PolarHBondContact O-N 3.49Å; I285-S288 PolarHBondContact O-N 2.96Å; I285-S288 VanDerWaalsContact O-N 3.15Å; I285-V289 WeakPolarHBondContact O-CG2 3.3Å; I285-V289 PolarHBondContact O-N 2.94Å; I285-V289 VanDerWaalsContact O-N 3.13Å; I285-V310 HydrophobicContact CB-CG1 4.32Å; I285-V310 HydrophobicContact CG1-CG1 4.08Å; I285-L311 HydrophobicContact CD1-CD2 4.47Å; I285-L311 HydrophobicContact CG2-CD2 3.6Å; I285-F342 HydrophobicContact CG1-CE1 4.45Å; I285-F342 HydrophobicContact CG1-CZ 3.97Å |
| 286 | G | 98.2 | Very high | 97 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -70 | -26.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F244 S247 L282 L283 P290 | F244-G286 VanDerWaalsContact CA-O 3.29Å; F244-G286 WeakPolarHBondContact CA-O 3.25Å; F244-G286 WeakPolarHBondContact CB-O 3.35Å; F244-G286 PolarHBondContact N-O 3.47Å; S247-G286 WeakPolarHBondContact OG-CA 3.38Å; L282-G286 PolarHBondContact O-N 3.42Å; L283-G286 PolarHBondContact O-N 3.45Å; G286-P290 WeakPolarHBondContact O-CD 3.36Å |
| 287 | S | 97.6 | Very high | 96.7 | Very high | 12 Ų | 12 | 17.9 Ų | 17.9 | 8% | 0.084 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -73.3 | -33.8 | 171.6 | 71.6 | 0 | 0 | 0 | 0 | 112.6 | L283 V284 I285 H419 | L283-S287 WeakPolarHBondContact O-CB 3.1Å; L283-S287 PolarHBondContact O-N 2.89Å; L283-S287 PolarHBondContact O-OG 3.26Å; L283-S287 VanDerWaalsContact O-OG 3.07Å; V284-S287 PolarHBondContact O-OG 3.04Å; I285-S287 VanDerWaalsContact C-N 3.31Å; I285-S287 PolarHBondContact O-N 3.49Å; S287-H419 PolarHBondContact O-NE2 2.83Å |
| 288 | S | 97.4 | Very high | 96.4 | Very high | 16 Ų | 16 | 18.2 Ų | 18.2 | 11% | 0.112 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -74.2 | -36.8 | -179.8 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | V284 I285 W291 I292 | V284-S288 WeakPolarHBondContact O-CB 3.22Å; V284-S288 PolarHBondContact O-N 3.21Å; V284-S288 PolarHBondContact O-OG 3.47Å; I285-S288 PolarHBondContact O-N 2.96Å; I285-S288 VanDerWaalsContact O-N 3.15Å; S288-W291 PolarHBondContact O-N 3.32Å; S288-I292 WeakPolarHBondContact O-CB 3.3Å; S288-I292 VanDerWaalsContact O-CG1 3.27Å; S288-I292 WeakPolarHBondContact O-CG1 3.31Å; S288-I292 PolarHBondContact O-N 2.87Å |
| 289 | V | 97.6 | Very high | 96.1 | Very high | 25 Ų | 25 | 18.1 Ų | 18.1 | 15% | 0.152 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -54.2 | -57.6 | -176.8 | 169 | 0 | 0 | 0 | 0 | 113.7 | V243 I285 W291 I292 H293 | V243-V289 HydrophobicContact CB-CG1 4.45Å; V243-V289 HydrophobicContact CG1-CB 4.17Å; V243-V289 HydrophobicContact CG1-CG1 4.25Å; V243-V289 HydrophobicContact CG1-CG2 4.36Å; I285-V289 WeakPolarHBondContact O-CG2 3.3Å; I285-V289 PolarHBondContact O-N 2.94Å; I285-V289 VanDerWaalsContact O-N 3.13Å; V289-W291 VanDerWaalsContact C-N 3.35Å; V289-W291 PolarHBondContact O-N 3.33Å; V289-I292 PolarHBondContact O-N 2.82Å; V289-H293 WeakPolarHBondContact O-CB 3.38Å; V289-H293 PolarHBondContact O-N 2.83Å |
| 290 | P | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65 | -39.2 | 179.4 | 25.2 | -33.7 | 0 | 0 | 0 | 112 | I240 F244 G286 H293 Y294 I423 | I240-P290 HydrophobicContact CG2-CB 3.83Å; F244-P290 HydrophobicContact CB-CG 3.93Å; G286-P290 WeakPolarHBondContact O-CD 3.36Å; P290-H293 PolarHBondContact O-N 2.69Å; P290-Y294 HydrophobicContact CB-CD2 4.46Å; P290-Y294 HydrophobicContact CB-CE2 4.25Å; P290-Y294 WeakPolarHBondContact O-CD2 3.4Å; P290-Y294 PolarHBondContact O-N 3.3Å; P290-I423 HydrophobicContact CB-CD1 4.26Å; P290-I423 HydrophobicContact CB-CG1 4.37Å; P290-I423 HydrophobicContact CB-CG2 3.9Å; P290-I423 HydrophobicContact CG-CD1 3.51Å; P290-I423 HydrophobicContact CG-CG1 4.06Å; P290-I423 HydrophobicContact CG-CG2 4.33Å |
| 291 | W | 96 | Very high | 95.8 | Very high | 14 Ų | 14 | 25.1 Ų | 25.1 | 5% | 0.053 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 178.7 | 171.8 | 73.1 | 0 | 0 | 0 | 112.3 | S288 V289 S295 G346 P349 C350 L371 | S288-W291 PolarHBondContact O-N 3.32Å; V289-W291 VanDerWaalsContact C-N 3.35Å; V289-W291 PolarHBondContact O-N 3.33Å; W291-S295 PolarHBondContact NE1-OG 2.84Å; W291-S295 VanDerWaalsContact O-CB 3.28Å; W291-S295 WeakPolarHBondContact O-CB 3.48Å; W291-S295 PolarHBondContact O-N 3.49Å; W291-S295 PolarHBondContact O-OG 3.45Å; W291-G346 WeakPolarHBondContact CH2-O 3.36Å; W291-P349 HydrophobicContact CH2-CB 3.74Å; W291-P349 HydrophobicContact CH2-CG 3.69Å; W291-P349 HydrophobicContact CZ3-CB 3.9Å; W291-P349 HydrophobicContact CZ3-CG 3.62Å; W291-C350 HydrophobicContact CH2-CB 3.91Å; W291-C350 HydrophobicContact CZ2-CB 3.79Å; W291-L371 HydrophobicContact CZ2-CD1 4.38Å |
| 292 | I | 96.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 174.7 | -68.7 | 164 | 0 | 0 | 0 | 110.5 | S288 V289 Y294 S295 F296 K303 I307 V310 | S288-I292 WeakPolarHBondContact O-CB 3.3Å; S288-I292 VanDerWaalsContact O-CG1 3.27Å; S288-I292 WeakPolarHBondContact O-CG1 3.31Å; S288-I292 PolarHBondContact O-N 2.87Å; V289-I292 PolarHBondContact O-N 2.82Å; I292-Y294 PolarHBondContact O-N 2.95Å; I292-S295 PolarHBondContact O-N 2.89Å; I292-F296 HydrophobicContact CG2-CD2 4.09Å; I292-F296 PolarHBondContact O-N 2.96Å; I292-K303 HydrophobicContact CG2-CG 4.14Å; I292-I307 HydrophobicContact CB-CG1 4.36Å; I292-I307 HydrophobicContact CD1-CG1 4.42Å; I292-I307 HydrophobicContact CG2-CD1 4.43Å; I292-I307 HydrophobicContact CG2-CG1 3.92Å; I292-V310 HydrophobicContact CD1-CG2 4.03Å |
| 293 | H | 95.8 | Very high | 95.6 | Very high | 22 Ų | 22 | 27.1 Ų | 27.1 | 10% | 0.102 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.6 | -47.9 | 178.7 | 171.4 | 73.1 | 0 | 0 | 0 | 112.1 | E237 I240 V289 P290 Y297 K303 | E237-H293 IonicContact OE1-CE1 3.9Å; E237-H293 IonicContact OE1-NE2 3.25Å; E237-H293 PolarHBondContact OE1-NE2 3.39Å; E237-H293 IonicContact OE2-CD2 3.6Å; E237-H293 IonicContact OE2-NE2 3.05Å; E237-H293 PolarHBondContact OE2-NE2 3.04Å; I240-H293 VanDerWaalsContact CD1-CD2 3.49Å; I240-H293 WeakPolarHBondContact CD1-CD2 3.38Å; I240-H293 WeakPolarHBondContact CD1-CE1 3.3Å; I240-H293 WeakPolarHBondContact CD1-NE2 3.45Å; I240-H293 HydrophobicContact CG2-CB 3.99Å; V289-H293 WeakPolarHBondContact O-CB 3.38Å; V289-H293 PolarHBondContact O-N 2.83Å; P290-H293 PolarHBondContact O-N 2.69Å; H293-Y297 AromaticContact CE1-CD2 3.73Å; H293-Y297 AromaticContact CE1-CE2 3.65Å; H293-Y297 AromaticContact NE2-CD2 3.53Å; H293-Y297 AromaticContact NE2-CE2 3.35Å; H293-Y297 WeakPolarHBondContact NE2-CE2 3.41Å; H293-Y297 WeakPolarHBondContact O-CA 3.41Å; H293-Y297 WeakPolarHBondContact O-CB 3.25Å; H293-Y297 PolarHBondContact O-N 3.24Å; H293-K303 PolarHBondContact ND1-NZ 3.05Å |
| 294 | Y | 93.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -74.4 | -34 | -179.6 | -68.3 | -59.4 | 0 | 0 | 0 | 113.2 | E237 V241 P290 I292 Y297 I423 I426 A427 R430 | E237-Y294 PolarHBondContact O-OH 3.34Å; E237-Y294 WeakPolarHBondContact OE2-CE1 3.23Å; E237-Y294 PolarHBondContact OE2-OH 3.47Å; V241-Y294 HydrophobicContact CG2-CE2 4.11Å; P290-Y294 HydrophobicContact CB-CD2 4.46Å; P290-Y294 HydrophobicContact CB-CE2 4.25Å; P290-Y294 WeakPolarHBondContact O-CD2 3.4Å; P290-Y294 PolarHBondContact O-N 3.3Å; I292-Y294 PolarHBondContact O-N 2.95Å; Y294-Y297 HydrophobicContact CD1-CD2 4.3Å; Y294-I423 HydrophobicContact CD2-CG2 4.42Å; Y294-I423 HydrophobicContact CE2-CG2 4.25Å; Y294-I426 HydrophobicContact CD2-CG2 4.24Å; Y294-I426 HydrophobicContact CG-CG2 4.31Å; Y294-A427 HydrophobicContact CD1-CB 3.95Å; Y294-A427 HydrophobicContact CD2-CB 3.77Å; Y294-A427 HydrophobicContact CE1-CB 3.72Å; Y294-A427 HydrophobicContact CE2-CB 3.54Å; Y294-A427 HydrophobicContact CG-CB 4Å; Y294-R430 HydrophobicContact CD1-CB 4.33Å; Y294-R430 HydrophobicContact CD1-CG 4.4Å |
| 295 | S | 92.5 | Very high | 95.6 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68 | -47.5 | 176.8 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | W291 I292 Y353 I426 | W291-S295 PolarHBondContact NE1-OG 2.84Å; W291-S295 VanDerWaalsContact O-CB 3.28Å; W291-S295 WeakPolarHBondContact O-CB 3.48Å; W291-S295 PolarHBondContact O-N 3.49Å; W291-S295 PolarHBondContact O-OG 3.45Å; I292-S295 PolarHBondContact O-N 2.89Å; S295-Y353 WeakPolarHBondContact O-CD2 3.32Å; S295-Y353 WeakPolarHBondContact O-CE2 3.5Å; S295-I426 WeakPolarHBondContact OG-CD1 3.41Å |
| 296 | F | 93.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 32.9 | -178.8 | -63.1 | -84 | 0 | 0 | 0 | 112 | I292 C298 Y299 F302 K303 Y306 P349 H352 I356 | I292-F296 HydrophobicContact CG2-CD2 4.09Å; I292-F296 PolarHBondContact O-N 2.96Å; F296-C298 VanDerWaalsContact C-N 3.26Å; F296-C298 PolarHBondContact O-N 3.1Å; F296-Y299 CarbonylContact O-C 3.53Å; F296-Y299 PolarHBondContact O-N 3.18Å; F296-F302 HydrophobicContact CD1-CB 3.55Å; F296-F302 HydrophobicContact CD1-CD2 4.13Å; F296-F302 HydrophobicContact CD1-CG 4.3Å; F296-F302 HydrophobicContact CE1-CB 3.92Å; F296-F302 HydrophobicContact CE1-CD2 4.3Å; F296-F302 HydrophobicContact CE1-CG 4.44Å; F296-F302 HydrophobicContact CG-CB 4.15Å; F296-K303 HydrophobicContact CB-CB 3.89Å; F296-K303 WeakPolarHBondContact O-CE 3.38Å; F296-Y306 HydrophobicContact CD2-CD2 4.23Å; F296-Y306 HydrophobicContact CE1-CD2 4.48Å; F296-Y306 HydrophobicContact CE1-CE2 4.09Å; F296-Y306 AromaticContact CE2-CD2 3.8Å; F296-Y306 HydrophobicContact CE2-CD2 3.8Å; F296-Y306 AromaticContact CE2-CE2 3.95Å; F296-Y306 HydrophobicContact CE2-CE2 3.95Å; F296-Y306 AromaticContact CZ-CD2 3.93Å; F296-Y306 HydrophobicContact CZ-CD2 3.93Å; F296-Y306 AromaticContact CZ-CE2 3.59Å; F296-Y306 HydrophobicContact CZ-CE2 3.59Å; F296-P349 HydrophobicContact CE2-CB 3.93Å; F296-P349 HydrophobicContact CZ-CB 4.34Å; F296-P349 WeakPolarHBondContact CZ-O 3.35Å; F296-H352 HydrophobicContact CZ-CB 4.28Å; F296-I356 HydrophobicContact CE1-CD1 4.16Å |
| 297 | Y | 92.2 | Very high | 95.5 | Very high | 65 Ų | 65 | 36.4 Ų | 36.4 | 26% | 0.255 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -45.2 | -171.3 | -167.8 | -92 | 0 | 0 | 0 | 112.4 | E237 H293 Y294 K303 R430 | E237-Y297 WeakPolarHBondContact OE1-CE2 3.4Å; E237-Y297 PolarHBondContact OE1-OH 3.4Å; H293-Y297 AromaticContact CE1-CD2 3.73Å; H293-Y297 AromaticContact CE1-CE2 3.65Å; H293-Y297 AromaticContact NE2-CD2 3.53Å; H293-Y297 AromaticContact NE2-CE2 3.35Å; H293-Y297 WeakPolarHBondContact NE2-CE2 3.41Å; H293-Y297 WeakPolarHBondContact O-CA 3.41Å; H293-Y297 WeakPolarHBondContact O-CB 3.25Å; H293-Y297 PolarHBondContact O-N 3.24Å; Y294-Y297 HydrophobicContact CD1-CD2 4.3Å; Y297-K303 PolarHBondContact O-NZ 3.45Å; Y297-R430 HydrophobicContact CD1-CG 4.28Å; Y297-R430 HydrophobicContact CD2-CG 4.03Å; Y297-R430 HydrophobicContact CG-CG 3.76Å |
| 298 | C | 91 | Very high | 95.6 | Very high | 21 Ų | 21 | 40.3 Ų | 40.3 | 14% | 0.142 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -9.5 | 179.2 | -58 | 0 | 0 | 0 | 0 | 114.5 | F296 C436 | F296-C298 VanDerWaalsContact C-N 3.26Å; F296-C298 PolarHBondContact O-N 3.1Å; C298-C436 WeakPolarHBondContact CA-SG 3.24Å; C298-C436 HydrophobicContact CB-CB 3.63Å; C298-C436 WeakPolarHBondContact CB-SG 3.34Å; C298-C436 VanDerWaalsContact SG-CA 3.56Å; C298-C436 WeakPolarHBondContact SG-CB 3.26Å; C298-C436 CovalentContact SG-SG 2.04Å; C298-C436 PolarHBondContact SG-SG 3.42Å |
| 299 | Y | 92.3 | Very high | 95.6 | Very high | 39 Ų | 39 | 41.3 Ų | 41.3 | 15% | 0.153 | 22% | 0.221 | C | C | . | . | trans | -108.7 | 73.2 | -177.7 | -58.8 | -79.3 | 0 | 0 | 0 | 110.6 | F296 S301 F302 K303 I356 L440 | F296-Y299 CarbonylContact O-C 3.53Å; F296-Y299 PolarHBondContact O-N 3.18Å; Y299-S301 VanDerWaalsContact C-N 3.29Å; Y299-S301 PolarHBondContact O-N 3.04Å; Y299-F302 HydrophobicContact CD1-CD2 4.36Å; Y299-F302 HydrophobicContact CD1-CE2 4.35Å; Y299-F302 HydrophobicContact CG-CD2 4.17Å; Y299-F302 PolarHBondContact O-N 3.09Å; Y299-K303 PolarHBondContact O-N 3.28Å; Y299-I356 HydrophobicContact CD2-CG2 4.47Å; Y299-I356 HydrophobicContact CE1-CG2 4.09Å; Y299-I356 HydrophobicContact CE2-CG2 3.69Å; Y299-I356 VanDerWaalsContact CZ-CG2 3.46Å; Y299-I356 WeakPolarHBondContact OH-CG2 3.05Å; Y299-L440 HydrophobicContact CD1-CD2 4.29Å; Y299-L440 HydrophobicContact CE1-CD2 3.69Å | ||
| 300 | N | 93.3 | Very high | 95.6 | Very high | 97 Ų | 97 | 40.7 Ų | 40.7 | 52% | 0.519 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.2 | -38.4 | -170.9 | -168.7 | 53 | 0 | 0 | 0 | 113.7 | K303 I304 | N300-K303 WeakPolarHBondContact O-CB 3.34Å; N300-K303 PolarHBondContact O-N 2.89Å; N300-I304 WeakPolarHBondContact ND2-CD1 3.12Å; N300-I304 WeakPolarHBondContact O-CG1 3.33Å; N300-I304 PolarHBondContact O-N 3.44Å |
| 301 | S | 95.9 | Very high | 95.7 | Very high | 91 Ų | 91 | 44.5 Ų | 44.5 | 64% | 0.636 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -60.8 | -48 | 178.4 | -54.3 | 0 | 0 | 0 | 0 | 112 | Y299 I304 V305 | Y299-S301 VanDerWaalsContact C-N 3.29Å; Y299-S301 PolarHBondContact O-N 3.04Å; S301-I304 PolarHBondContact O-N 3.43Å; S301-V305 VanDerWaalsContact O-CG2 3.31Å; S301-V305 WeakPolarHBondContact O-CG2 3.44Å; S301-V305 PolarHBondContact O-N 3.36Å; S301-V305 VanDerWaalsContact O-N 3.09Å |
| 302 | F | 95.7 | Very high | 95.8 | Very high | 78 Ų | 78 | 49.6 Ų | 49.6 | 34% | 0.342 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 178.4 | -59.4 | -37.9 | 0 | 0 | 0 | 111.7 | F296 Y299 I304 V305 Y306 H352 I356 | F296-F302 HydrophobicContact CD1-CB 3.55Å; F296-F302 HydrophobicContact CD1-CD2 4.13Å; F296-F302 HydrophobicContact CD1-CG 4.3Å; F296-F302 HydrophobicContact CE1-CB 3.92Å; F296-F302 HydrophobicContact CE1-CD2 4.3Å; F296-F302 HydrophobicContact CE1-CG 4.44Å; F296-F302 HydrophobicContact CG-CB 4.15Å; Y299-F302 HydrophobicContact CD1-CD2 4.36Å; Y299-F302 HydrophobicContact CD1-CE2 4.35Å; Y299-F302 HydrophobicContact CG-CD2 4.17Å; Y299-F302 PolarHBondContact O-N 3.09Å; F302-I304 PolarHBondContact O-N 2.84Å; F302-V305 PolarHBondContact O-N 3.37Å; F302-Y306 HydrophobicContact CB-CD2 4.36Å; F302-Y306 HydrophobicContact CB-CE2 4.28Å; F302-Y306 WeakPolarHBondContact O-CD2 3.14Å; F302-Y306 PolarHBondContact O-N 2.91Å; F302-H352 AromaticContact CD1-CE1 3.62Å; F302-H352 AromaticContact CD2-CE1 3.87Å; F302-H352 AromaticContact CE1-CE1 3.65Å; F302-H352 AromaticContact CE2-CE1 3.91Å; F302-H352 AromaticContact CE2-NE2 3.96Å; F302-H352 AromaticContact CG-CE1 3.75Å; F302-H352 AromaticContact CZ-CE1 3.8Å; F302-H352 AromaticContact CZ-NE2 3.94Å; F302-I356 HydrophobicContact CD2-CD1 3.79Å; F302-I356 HydrophobicContact CE2-CD1 3.61Å |
| 303 | K | 96.6 | Very high | 95.9 | Very high | 25 Ų | 25 | 53 Ų | 53 | 11% | 0.109 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -53.6 | -51.4 | 174.7 | -170.1 | -169.5 | -50.7 | -172.9 | 0 | 111.6 | I292 H293 F296 Y297 Y299 N300 Y306 I307 | I292-K303 HydrophobicContact CG2-CG 4.14Å; H293-K303 PolarHBondContact ND1-NZ 3.05Å; F296-K303 HydrophobicContact CB-CB 3.89Å; F296-K303 WeakPolarHBondContact O-CE 3.38Å; Y297-K303 PolarHBondContact O-NZ 3.45Å; Y299-K303 PolarHBondContact O-N 3.28Å; N300-K303 WeakPolarHBondContact O-CB 3.34Å; N300-K303 PolarHBondContact O-N 2.89Å; K303-Y306 PolarHBondContact O-N 3.48Å; K303-I307 HydrophobicContact CG-CD1 4Å; K303-I307 WeakPolarHBondContact O-CB 3.28Å; K303-I307 VanDerWaalsContact O-CG1 3.31Å; K303-I307 WeakPolarHBondContact O-CG1 3.32Å; K303-I307 PolarHBondContact O-N 3.42Å |
| 304 | I | 97.8 | Very high | 96 | Very high | 82 Ų | 82 | 52 Ų | 52 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | -179.6 | -69.2 | 168.8 | 0 | 0 | 0 | 110.8 | N300 S301 F302 Y306 I307 L308 | N300-I304 WeakPolarHBondContact ND2-CD1 3.12Å; N300-I304 WeakPolarHBondContact O-CG1 3.33Å; N300-I304 PolarHBondContact O-N 3.44Å; S301-I304 PolarHBondContact O-N 3.43Å; F302-I304 PolarHBondContact O-N 2.84Å; I304-Y306 VanDerWaalsContact C-N 3.33Å; I304-Y306 PolarHBondContact O-N 2.86Å; I304-I307 PolarHBondContact O-N 2.9Å; I304-L308 HydrophobicContact CG2-CD1 3.8Å; I304-L308 HydrophobicContact CG2-CG 4.27Å; I304-L308 WeakPolarHBondContact O-CB 3.3Å; I304-L308 VanDerWaalsContact O-CG 3.31Å; I304-L308 WeakPolarHBondContact O-CG 3.45Å; I304-L308 PolarHBondContact O-N 2.71Å |
| 305 | V | 98.2 | Very high | 96.2 | Very high | 90 Ų | 90 | 54.8 Ų | 54.8 | 55% | 0.545 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.7 | -46.5 | -179.4 | 169 | 0 | 0 | 0 | 0 | 111.2 | S301 F302 L308 A309 | S301-V305 VanDerWaalsContact O-CG2 3.31Å; S301-V305 WeakPolarHBondContact O-CG2 3.44Å; S301-V305 PolarHBondContact O-N 3.36Å; S301-V305 VanDerWaalsContact O-N 3.09Å; F302-V305 PolarHBondContact O-N 3.37Å; V305-L308 PolarHBondContact O-N 3.06Å; V305-A309 WeakPolarHBondContact O-CB 3.47Å; V305-A309 PolarHBondContact O-N 2.78Å |
| 306 | Y | 98.2 | Very high | 96.5 | Very high | 36 Ų | 36 | 60 Ų | 60 | 14% | 0.141 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.5 | -37.5 | -179 | -71.8 | -54.8 | 0 | 0 | 0 | 113.5 | F296 F302 K303 I304 A309 V310 V348 P349 H352 | F296-Y306 HydrophobicContact CD2-CD2 4.23Å; F296-Y306 HydrophobicContact CE1-CD2 4.48Å; F296-Y306 HydrophobicContact CE1-CE2 4.09Å; F296-Y306 AromaticContact CE2-CD2 3.8Å; F296-Y306 HydrophobicContact CE2-CD2 3.8Å; F296-Y306 AromaticContact CE2-CE2 3.95Å; F296-Y306 HydrophobicContact CE2-CE2 3.95Å; F296-Y306 AromaticContact CZ-CD2 3.93Å; F296-Y306 HydrophobicContact CZ-CD2 3.93Å; F296-Y306 AromaticContact CZ-CE2 3.59Å; F296-Y306 HydrophobicContact CZ-CE2 3.59Å; F302-Y306 HydrophobicContact CB-CD2 4.36Å; F302-Y306 HydrophobicContact CB-CE2 4.28Å; F302-Y306 WeakPolarHBondContact O-CD2 3.14Å; F302-Y306 PolarHBondContact O-N 2.91Å; K303-Y306 PolarHBondContact O-N 3.48Å; I304-Y306 VanDerWaalsContact C-N 3.33Å; I304-Y306 PolarHBondContact O-N 2.86Å; Y306-A309 PolarHBondContact O-N 2.95Å; Y306-V310 WeakPolarHBondContact O-CG2 3.31Å; Y306-V310 PolarHBondContact O-N 3.08Å; Y306-V348 HydrophobicContact CE1-CG1 4.24Å; Y306-P349 HydrophobicContact CD1-CB 3.86Å; Y306-P349 HydrophobicContact CD1-CG 4.15Å; Y306-P349 HydrophobicContact CD2-CB 3.85Å; Y306-P349 HydrophobicContact CE1-CB 3.94Å; Y306-P349 HydrophobicContact CE1-CG 4.38Å; Y306-P349 HydrophobicContact CE2-CB 3.92Å; Y306-P349 HydrophobicContact CG-CB 3.83Å; Y306-P349 HydrophobicContact CG-CG 4.44Å; Y306-H352 HydrophobicContact CE2-CB 4.48Å; Y306-H352 AromaticContact CE2-ND1 3.46Å; Y306-H352 WeakPolarHBondContact CE2-ND1 3.21Å; Y306-H352 AromaticContact CZ-ND1 3.53Å; Y306-H352 WeakPolarHBondContact OH-CB 3.44Å; Y306-H352 PolarHBondContact OH-ND1 3.01Å |
| 307 | I | 98 | Very high | 96.7 | Very high | 43 Ų | 43 | 60.2 Ų | 60.2 | 22% | 0.221 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62 | -46.4 | 173.8 | -71.8 | 172.6 | 0 | 0 | 0 | 110.3 | I292 K303 I304 A309 V310 L311 | I292-I307 HydrophobicContact CB-CG1 4.36Å; I292-I307 HydrophobicContact CD1-CG1 4.42Å; I292-I307 HydrophobicContact CG2-CD1 4.43Å; I292-I307 HydrophobicContact CG2-CG1 3.92Å; K303-I307 HydrophobicContact CG-CD1 4Å; K303-I307 WeakPolarHBondContact O-CB 3.28Å; K303-I307 VanDerWaalsContact O-CG1 3.31Å; K303-I307 WeakPolarHBondContact O-CG1 3.32Å; K303-I307 PolarHBondContact O-N 3.42Å; I304-I307 PolarHBondContact O-N 2.9Å; I307-A309 PolarHBondContact O-N 3.38Å; I307-V310 PolarHBondContact O-N 3.38Å; I307-L311 HydrophobicContact CG2-CD1 3.99Å; I307-L311 VanDerWaalsContact O-CG 3.31Å; I307-L311 WeakPolarHBondContact O-CG 3.48Å; I307-L311 PolarHBondContact O-N 2.88Å |
| 308 | L | 98.4 | Very high | 96.9 | Very high | 94 Ų | 94 | 58 Ų | 58 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 177 | -69.7 | 176.9 | 0 | 0 | 0 | 111.9 | I304 V305 V310 L311 I312 | I304-L308 HydrophobicContact CG2-CD1 3.8Å; I304-L308 HydrophobicContact CG2-CG 4.27Å; I304-L308 WeakPolarHBondContact O-CB 3.3Å; I304-L308 VanDerWaalsContact O-CG 3.31Å; I304-L308 WeakPolarHBondContact O-CG 3.45Å; I304-L308 PolarHBondContact O-N 2.71Å; V305-L308 PolarHBondContact O-N 3.06Å; L308-V310 PolarHBondContact O-N 3.44Å; L308-L311 PolarHBondContact O-N 3.01Å; L308-I312 VanDerWaalsContact O-CG1 3.29Å; L308-I312 WeakPolarHBondContact O-CG1 3.4Å; L308-I312 PolarHBondContact O-N 3.45Å |
| 309 | A | 98.1 | Very high | 97.2 | Very high | 38 Ų | 38 | 63.3 Ų | 63.3 | 31% | 0.314 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V305 Y306 I307 L311 I312 L313 | V305-A309 WeakPolarHBondContact O-CB 3.47Å; V305-A309 PolarHBondContact O-N 2.78Å; Y306-A309 PolarHBondContact O-N 2.95Å; I307-A309 PolarHBondContact O-N 3.38Å; A309-L311 PolarHBondContact O-N 3.4Å; A309-I312 PolarHBondContact O-N 2.89Å; A309-L313 WeakPolarHBondContact O-CB 3.25Å; A309-L313 WeakPolarHBondContact O-CG 3.43Å; A309-L313 PolarHBondContact O-N 3.24Å |
| 310 | V | 98.2 | Very high | 97.4 | Very high | 12 Ų | 12 | 62.7 Ų | 62.7 | 7% | 0.073 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 177.6 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | I285 I292 Y306 I307 L308 G314 F342 | I285-V310 HydrophobicContact CB-CG1 4.32Å; I285-V310 HydrophobicContact CG1-CG1 4.08Å; I292-V310 HydrophobicContact CD1-CG2 4.03Å; Y306-V310 WeakPolarHBondContact O-CG2 3.31Å; Y306-V310 PolarHBondContact O-N 3.08Å; I307-V310 PolarHBondContact O-N 3.38Å; L308-V310 PolarHBondContact O-N 3.44Å; V310-G314 PolarHBondContact O-N 3.18Å; V310-F342 HydrophobicContact CG1-CE2 4.16Å; V310-F342 HydrophobicContact CG1-CZ 4.09Å |
| 311 | L | 98.3 | Very high | 97.5 | Very high | 80 Ų | 80 | 58 Ų | 58 | 42% | 0.419 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.6 | -71.8 | 169.7 | 0 | 0 | 0 | 111.9 | I285 I307 L308 A309 G314 A315 | I285-L311 HydrophobicContact CD1-CD2 4.47Å; I285-L311 HydrophobicContact CG2-CD2 3.6Å; I307-L311 HydrophobicContact CG2-CD1 3.99Å; I307-L311 VanDerWaalsContact O-CG 3.31Å; I307-L311 WeakPolarHBondContact O-CG 3.48Å; I307-L311 PolarHBondContact O-N 2.88Å; L308-L311 PolarHBondContact O-N 3.01Å; A309-L311 PolarHBondContact O-N 3.4Å; L311-G314 PolarHBondContact O-N 3.33Å; L311-A315 VanDerWaalsContact O-CB 3.3Å; L311-A315 WeakPolarHBondContact O-CB 3.46Å; L311-A315 PolarHBondContact O-N 3.01Å |
| 312 | I | 98.3 | Very high | 97.5 | Very high | 121 Ų | 121 | 55.3 Ų | 55.3 | 62% | 0.621 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.2 | -48.1 | 178.1 | -68.4 | 165.6 | 0 | 0 | 0 | 110.6 | L308 A309 G314 A315 F316 | L308-I312 VanDerWaalsContact O-CG1 3.29Å; L308-I312 WeakPolarHBondContact O-CG1 3.4Å; L308-I312 PolarHBondContact O-N 3.45Å; A309-I312 PolarHBondContact O-N 2.89Å; I312-G314 VanDerWaalsContact C-N 3.34Å; I312-G314 PolarHBondContact O-N 3.46Å; I312-A315 PolarHBondContact O-N 3.46Å; I312-F316 WeakPolarHBondContact O-CB 3.27Å; I312-F316 PolarHBondContact O-N 3.03Å |
| 313 | L | 98 | Very high | 97.5 | Very high | 72 Ų | 72 | 54.4 Ų | 54.4 | 38% | 0.377 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 178.3 | -73.2 | 173.8 | 0 | 0 | 0 | 111.9 | A309 F316 C317 F342 | A309-L313 WeakPolarHBondContact O-CB 3.25Å; A309-L313 WeakPolarHBondContact O-CG 3.43Å; A309-L313 PolarHBondContact O-N 3.24Å; L313-F316 PolarHBondContact O-N 3.19Å; L313-C317 PolarHBondContact O-N 3.34Å; L313-C317 PolarHBondContact O-SG 3.09Å; L313-F342 HydrophobicContact CB-CD2 3.72Å; L313-F342 HydrophobicContact CB-CE2 3.55Å; L313-F342 HydrophobicContact CB-CZ 4.5Å; L313-F342 HydrophobicContact CD1-CD2 4.48Å |
| 314 | G | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.6 | -38.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | S281 V310 L311 I312 C317 A318 F342 | S281-G314 PolarHBondContact OG-O 3.41Å; V310-G314 PolarHBondContact O-N 3.18Å; L311-G314 PolarHBondContact O-N 3.33Å; I312-G314 VanDerWaalsContact C-N 3.34Å; I312-G314 PolarHBondContact O-N 3.46Å; G314-C317 PolarHBondContact O-N 2.73Å; G314-A318 WeakPolarHBondContact O-CB 3.46Å; G314-A318 PolarHBondContact O-N 3.42Å; G314-F342 VanDerWaalsContact CA-CE1 3.47Å |
| 315 | A | 98 | Very high | 97.1 | Very high | 61 Ų | 61 | 60 Ų | 60 | 50% | 0.504 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L311 I312 A318 F319 | L311-A315 VanDerWaalsContact O-CB 3.3Å; L311-A315 WeakPolarHBondContact O-CB 3.46Å; L311-A315 PolarHBondContact O-N 3.01Å; I312-A315 PolarHBondContact O-N 3.46Å; A315-A318 PolarHBondContact O-N 3.45Å; A315-F319 WeakPolarHBondContact O-CB 3.2Å; A315-F319 PolarHBondContact O-N 2.82Å |
| 316 | F | 97.9 | Very high | 96.9 | Very high | 114 Ų | 114 | 56.4 Ų | 56.4 | 50% | 0.5 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 173.6 | 174.1 | -100.5 | 0 | 0 | 0 | 111.9 | I312 L313 A318 F319 V320 L338 | I312-F316 WeakPolarHBondContact O-CB 3.27Å; I312-F316 PolarHBondContact O-N 3.03Å; L313-F316 PolarHBondContact O-N 3.19Å; F316-A318 PolarHBondContact O-N 2.65Å; F316-F319 PolarHBondContact O-N 3.01Å; F316-V320 HydrophobicContact CD1-CG2 4.47Å; F316-V320 HydrophobicContact CD2-CG2 4.31Å; F316-V320 HydrophobicContact CE1-CG2 4.06Å; F316-V320 HydrophobicContact CE2-CG2 3.89Å; F316-V320 HydrophobicContact CZ-CG2 3.75Å; F316-V320 WeakPolarHBondContact O-CG2 3.48Å; F316-V320 PolarHBondContact O-N 3.44Å; F316-L338 HydrophobicContact CE1-CD1 4.42Å |
| 317 | C | 97.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 3% | 0.027 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 177.7 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | L313 G314 F319 V320 C321 F339 F342 | L313-C317 PolarHBondContact O-N 3.34Å; L313-C317 PolarHBondContact O-SG 3.09Å; G314-C317 PolarHBondContact O-N 2.73Å; C317-F319 PolarHBondContact O-N 3.37Å; C317-V320 PolarHBondContact O-N 3.28Å; C317-C321 WeakPolarHBondContact O-CB 3.37Å; C317-C321 PolarHBondContact O-N 3.29Å; C317-C321 PolarHBondContact O-SG 3.27Å; C317-C321 VanDerWaalsContact O-SG 3.37Å; C317-F339 HydrophobicContact CB-CE1 4.3Å; C317-F342 HydrophobicContact CB-CD1 4.41Å |
| 318 | A | 97.2 | Very high | 96.2 | Very high | 19 Ų | 19 | 55.5 Ų | 55.5 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V278 S281 G314 A315 F316 C321 T322 | V278-A318 HydrophobicContact CG2-CB 4.37Å; S281-A318 PolarHBondContact OG-N 3.28Å; G314-A318 WeakPolarHBondContact O-CB 3.46Å; G314-A318 PolarHBondContact O-N 3.42Å; A315-A318 PolarHBondContact O-N 3.45Å; F316-A318 PolarHBondContact O-N 2.65Å; A318-C321 PolarHBondContact O-N 3.35Å; A318-T322 WeakPolarHBondContact O-CB 3.01Å; A318-T322 WeakPolarHBondContact O-CG2 3.36Å; A318-T322 PolarHBondContact O-N 3.43Å; A318-T322 VanDerWaalsContact O-N 3.08Å; A318-T322 PolarHBondContact O-OG1 2.9Å |
| 319 | F | 97.1 | Very high | 95.8 | Very high | 133 Ų | 133 | 53.2 Ų | 53.2 | 58% | 0.583 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.8 | -46.5 | 177.1 | 174.2 | -98.7 | 0 | 0 | 0 | 112.5 | A315 F316 C317 T322 Q323 | A315-F319 WeakPolarHBondContact O-CB 3.2Å; A315-F319 PolarHBondContact O-N 2.82Å; F316-F319 PolarHBondContact O-N 3.01Å; C317-F319 PolarHBondContact O-N 3.37Å; F319-T322 PolarHBondContact O-OG1 2.99Å; F319-T322 VanDerWaalsContact O-OG1 3.06Å; F319-Q323 WeakPolarHBondContact O-CG 3.21Å; F319-Q323 PolarHBondContact O-NE2 2.98Å |
| 320 | V | 96.7 | Very high | 95.6 | Very high | 25 Ų | 25 | 56.7 Ų | 56.7 | 15% | 0.152 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 178.8 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | F316 C317 T322 Q323 F326 L338 | F316-V320 HydrophobicContact CD1-CG2 4.47Å; F316-V320 HydrophobicContact CD2-CG2 4.31Å; F316-V320 HydrophobicContact CE1-CG2 4.06Å; F316-V320 HydrophobicContact CE2-CG2 3.89Å; F316-V320 HydrophobicContact CZ-CG2 3.75Å; F316-V320 WeakPolarHBondContact O-CG2 3.48Å; F316-V320 PolarHBondContact O-N 3.44Å; C317-V320 PolarHBondContact O-N 3.28Å; V320-T322 VanDerWaalsContact C-N 3.25Å; V320-T322 PolarHBondContact O-N 3.38Å; V320-Q323 WeakPolarHBondContact O-CB 3.43Å; V320-Q323 WeakPolarHBondContact O-CG 3.35Å; V320-Q323 PolarHBondContact O-N 3.16Å; V320-F326 HydrophobicContact CG1-CD1 4.39Å; V320-F326 HydrophobicContact CG1-CD2 4.33Å; V320-F326 HydrophobicContact CG1-CE1 4.12Å; V320-F326 HydrophobicContact CG1-CE2 4.16Å; V320-F326 HydrophobicContact CG1-CG 4.44Å; V320-F326 HydrophobicContact CG1-CZ 4.04Å; V320-L338 HydrophobicContact CB-CD2 4.14Å; V320-L338 HydrophobicContact CG1-CD2 3.88Å |
| 321 | C | 94.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.5 | -20.1 | -176.4 | -70.2 | 0 | 0 | 0 | 0 | 114.1 | Y277 C317 A318 Q323 F326 F339 | Y277-C321 HydrophobicContact CD2-CB 3.94Å; Y277-C321 WeakPolarHBondContact CD2-O 3.5Å; Y277-C321 HydrophobicContact CG-CB 4.12Å; C317-C321 WeakPolarHBondContact O-CB 3.37Å; C317-C321 PolarHBondContact O-N 3.29Å; C317-C321 PolarHBondContact O-SG 3.27Å; C317-C321 VanDerWaalsContact O-SG 3.37Å; A318-C321 PolarHBondContact O-N 3.35Å; C321-Q323 VanDerWaalsContact C-N 3.33Å; C321-F326 HydrophobicContact CB-CD1 4.33Å; C321-F326 VanDerWaalsContact SG-CE1 3.59Å; C321-F339 HydrophobicContact CB-CZ 4.11Å; C321-F339 VanDerWaalsContact SG-CE2 3.55Å; C321-F339 WeakPolarHBondContact SG-CZ 3.15Å |
| 322 | T | 96 | Very high | 95.2 | Very high | 34 Ų | 34 | 57.4 Ų | 57.4 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -1.3 | 178.3 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | K274 V278 A318 F319 V320 | K274-T322 HydrophobicContact CB-CG2 4.04Å; K274-T322 WeakPolarHBondContact CD-O 3.14Å; K274-T322 WeakPolarHBondContact CE-O 3.22Å; K274-T322 HydrophobicContact CG-CG2 4.3Å; K274-T322 PolarHBondContact NZ-O 2.9Å; V278-T322 HydrophobicContact CG2-CG2 3.79Å; A318-T322 WeakPolarHBondContact O-CB 3.01Å; A318-T322 WeakPolarHBondContact O-CG2 3.36Å; A318-T322 PolarHBondContact O-N 3.43Å; A318-T322 VanDerWaalsContact O-N 3.08Å; A318-T322 PolarHBondContact O-OG1 2.9Å; F319-T322 PolarHBondContact O-OG1 2.99Å; F319-T322 VanDerWaalsContact O-OG1 3.06Å; V320-T322 VanDerWaalsContact C-N 3.25Å; V320-T322 PolarHBondContact O-N 3.38Å |
| 323 | Q | 96.8 | Very high | 95 | Very high | 59 Ų | 59 | 54.3 Ų | 54.3 | 28% | 0.276 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -72.5 | 134.5 | 172.6 | -56.8 | -53.4 | -51.9 | 0 | 0 | 111.4 | F319 V320 C321 Y325 F326 L327 | F319-Q323 WeakPolarHBondContact O-CG 3.21Å; F319-Q323 PolarHBondContact O-NE2 2.98Å; V320-Q323 WeakPolarHBondContact O-CB 3.43Å; V320-Q323 WeakPolarHBondContact O-CG 3.35Å; V320-Q323 PolarHBondContact O-N 3.16Å; C321-Q323 VanDerWaalsContact C-N 3.33Å; Q323-Y325 VanDerWaalsContact C-N 3.28Å; Q323-Y325 HydrophobicContact CB-CD1 3.81Å; Q323-Y325 HydrophobicContact CB-CE1 3.38Å; Q323-Y325 HydrophobicContact CG-CE1 3.87Å; Q323-Y325 PolarHBondContact O-N 3.45Å; Q323-F326 HydrophobicContact CB-CB 4.41Å; Q323-F326 WeakPolarHBondContact O-CB 3.47Å; Q323-F326 PolarHBondContact O-N 3.09Å; Q323-L327 PolarHBondContact O-N 2.81Å |
| 324 | D | 93.8 | Very high | 94.9 | Very high | 93 Ų | 93 | 53.5 Ų | 53.5 | 50% | 0.497 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -59.8 | -34.8 | -172.5 | -73.6 | -20 | 0 | 0 | 0 | 113.7 | K274 F326 L327 | K274-D324 WeakPolarHBondContact CE-OD1 3.16Å; K274-D324 IonicContact NZ-OD1 2.65Å; K274-D324 PolarHBondContact NZ-OD1 3.46Å; D324-F326 VanDerWaalsContact C-N 3.29Å; D324-F326 PolarHBondContact O-N 2.9Å; D324-L327 WeakPolarHBondContact O-CB 3.35Å; D324-L327 PolarHBondContact O-N 2.53Å |
| 325 | Y | 92.7 | Very high | 94.8 | Very high | 130 Ų | 130 | 53.6 Ų | 53.6 | 51% | 0.51 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -67.9 | -31.5 | 177.4 | 67.1 | -94.7 | 0 | 0 | 0 | 112.1 | Q323 L327 S328 Y331 | Q323-Y325 VanDerWaalsContact C-N 3.28Å; Q323-Y325 HydrophobicContact CB-CD1 3.81Å; Q323-Y325 HydrophobicContact CB-CE1 3.38Å; Q323-Y325 HydrophobicContact CG-CE1 3.87Å; Q323-Y325 PolarHBondContact O-N 3.45Å; Y325-L327 VanDerWaalsContact C-N 3.26Å; Y325-L327 PolarHBondContact O-N 2.82Å; Y325-S328 VanDerWaalsContact O-CB 3.25Å; Y325-S328 WeakPolarHBondContact O-CB 3.37Å; Y325-S328 PolarHBondContact O-N 2.97Å; Y325-Y331 HydrophobicContact CD2-CE2 4.13Å; Y325-Y331 VanDerWaalsContact O-CD2 3.23Å; Y325-Y331 WeakPolarHBondContact O-CD2 3.3Å |
| 326 | F | 92.3 | Very high | 94.6 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -76.9 | -14.8 | -178.3 | -150.5 | -107.5 | 0 | 0 | 0 | 112.6 | V320 C321 Q323 D324 S328 Y331 R335 L338 | V320-F326 HydrophobicContact CG1-CD1 4.39Å; V320-F326 HydrophobicContact CG1-CD2 4.33Å; V320-F326 HydrophobicContact CG1-CE1 4.12Å; V320-F326 HydrophobicContact CG1-CE2 4.16Å; V320-F326 HydrophobicContact CG1-CG 4.44Å; V320-F326 HydrophobicContact CG1-CZ 4.04Å; C321-F326 HydrophobicContact CB-CD1 4.33Å; C321-F326 VanDerWaalsContact SG-CE1 3.59Å; Q323-F326 HydrophobicContact CB-CB 4.41Å; Q323-F326 WeakPolarHBondContact O-CB 3.47Å; Q323-F326 PolarHBondContact O-N 3.09Å; D324-F326 VanDerWaalsContact C-N 3.29Å; D324-F326 PolarHBondContact O-N 2.9Å; F326-S328 PolarHBondContact O-N 3.36Å; F326-Y331 AromaticContact CD2-CD1 3.8Å; F326-Y331 HydrophobicContact CD2-CD1 3.8Å; F326-Y331 HydrophobicContact CD2-CE1 4.48Å; F326-Y331 AromaticContact CD2-CG 3.93Å; F326-Y331 HydrophobicContact CD2-CG 3.93Å; F326-Y331 AromaticContact CE2-CD1 3.86Å; F326-Y331 HydrophobicContact CE2-CD1 3.86Å; F326-Y331 HydrophobicContact CE2-CG 4.28Å; F326-R335 HydrophobicContact CD1-CG 3.53Å; F326-R335 HydrophobicContact CE1-CB 4.19Å; F326-R335 HydrophobicContact CE1-CG 3.24Å; F326-R335 HydrophobicContact CZ-CG 4.02Å; F326-R335 PolarHBondContact O-NH1 3.27Å; F326-L338 HydrophobicContact CE1-CD2 4.14Å; F326-L338 HydrophobicContact CZ-CD2 4.18Å |
| 327 | L | 91.2 | Very high | 94.6 | Very high | 18 Ų | 18 | 51.7 Ų | 51.7 | 9% | 0.094 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -70.3 | -18.8 | 170.1 | -56.7 | -178.5 | 0 | 0 | 0 | 112.5 | K270 N273 K274 Y277 Q323 D324 Y325 | K270-L327 HydrophobicContact CB-CD1 4.16Å; K270-L327 HydrophobicContact CG-CD1 3.99Å; N273-L327 HydrophobicContact CB-CD2 4.44Å; K274-L327 HydrophobicContact CG-CD1 4.28Å; K274-L327 HydrophobicContact CG-CD2 4.13Å; Y277-L327 HydrophobicContact CD2-CD2 3.89Å; Y277-L327 HydrophobicContact CE2-CD2 3.56Å; Q323-L327 PolarHBondContact O-N 2.81Å; D324-L327 WeakPolarHBondContact O-CB 3.35Å; D324-L327 PolarHBondContact O-N 2.53Å; Y325-L327 VanDerWaalsContact C-N 3.26Å; Y325-L327 PolarHBondContact O-N 2.82Å |
| 328 | S | 91.2 | Very high | 94.5 | Very high | 42 Ų | 42 | 53.2 Ų | 53.2 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -61 | 143.4 | -178 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | Y325 F326 T330 Y331 R335 | Y325-S328 VanDerWaalsContact O-CB 3.25Å; Y325-S328 WeakPolarHBondContact O-CB 3.37Å; Y325-S328 PolarHBondContact O-N 2.97Å; F326-S328 PolarHBondContact O-N 3.36Å; S328-T330 WeakPolarHBondContact CB-OG1 3.39Å; S328-T330 PolarHBondContact O-N 3.11Å; S328-T330 PolarHBondContact OG-N 3.06Å; S328-T330 PolarHBondContact OG-OG1 3.24Å; S328-Y331 PolarHBondContact O-N 3.49Å; S328-Y331 VanDerWaalsContact O-N 3.08Å; S328-R335 PolarHBondContact O-NH1 3.25Å |
| 329 | P | 90.3 | Very high | 94.5 | Very high | 46 Ų | 46 | 53.4 Ų | 53.4 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -56.9 | -23.4 | 175 | -26.3 | 35.4 | 0 | 0 | 0 | 114 | D176 Y331 R332 | D176-P329 WeakPolarHBondContact O-CB 3.49Å; P329-Y331 VanDerWaalsContact C-N 3.27Å; P329-Y331 PolarHBondContact O-N 3.42Å; P329-R332 VanDerWaalsContact O-CB 3.25Å; P329-R332 WeakPolarHBondContact O-CB 3.31Å; P329-R332 PolarHBondContact O-N 3.42Å |
| 330 | T | 93 | Very high | 94.5 | Very high | 110 Ų | 110 | 48.4 Ų | 48.4 | 68% | 0.675 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -59.5 | -34.1 | 176 | 54.5 | 0 | 0 | 0 | 0 | 113 | S328 R332 | S328-T330 WeakPolarHBondContact CB-OG1 3.39Å; S328-T330 PolarHBondContact O-N 3.11Å; S328-T330 PolarHBondContact OG-N 3.06Å; S328-T330 PolarHBondContact OG-OG1 3.24Å; T330-R332 VanDerWaalsContact C-N 3.34Å |
| 331 | Y | 94.7 | Very high | 94.5 | Very high | 91 Ų | 91 | 49.8 Ų | 49.8 | 36% | 0.357 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -91.2 | 11.8 | -180 | -68.5 | -85.8 | 0 | 0 | 0 | 113.4 | Y325 F326 S328 P329 A333 S334 R335 | Y325-Y331 HydrophobicContact CD2-CE2 4.13Å; Y325-Y331 VanDerWaalsContact O-CD2 3.23Å; Y325-Y331 WeakPolarHBondContact O-CD2 3.3Å; F326-Y331 AromaticContact CD2-CD1 3.8Å; F326-Y331 HydrophobicContact CD2-CD1 3.8Å; F326-Y331 HydrophobicContact CD2-CE1 4.48Å; F326-Y331 AromaticContact CD2-CG 3.93Å; F326-Y331 HydrophobicContact CD2-CG 3.93Å; F326-Y331 AromaticContact CE2-CD1 3.86Å; F326-Y331 HydrophobicContact CE2-CD1 3.86Å; F326-Y331 HydrophobicContact CE2-CG 4.28Å; S328-Y331 PolarHBondContact O-N 3.49Å; S328-Y331 VanDerWaalsContact O-N 3.08Å; P329-Y331 VanDerWaalsContact C-N 3.27Å; P329-Y331 PolarHBondContact O-N 3.42Å; Y331-A333 PolarHBondContact O-N 2.9Å; Y331-S334 WeakPolarHBondContact O-CB 3.41Å; Y331-S334 PolarHBondContact O-N 2.67Å; Y331-S334 VanDerWaalsContact O-N 3.1Å; Y331-R335 PolarHBondContact O-N 2.91Å |
| 332 | R | 93.9 | Very high | 94.7 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 6% | 0.06 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -53.4 | -49.4 | -179.1 | -177.6 | -178.6 | -67.5 | 110.2 | -7.5 | 113.1 | D176 P329 T330 S334 R335 A336 Y385 | D176-R332 VanDerWaalsContact C-NH2 3.34Å; D176-R332 PolarHBondContact O-NH2 3.41Å; D176-R332 IonicContact OD1-CZ 2.69Å; D176-R332 IonicContact OD1-NH2 3.65Å; D176-R332 PolarHBondContact OD1-NH2 3.03Å; D176-R332 IonicContact OD2-CZ 2.67Å; D176-R332 IonicContact OD2-NH2 3.57Å; D176-R332 PolarHBondContact OD2-NH2 3.16Å; P329-R332 VanDerWaalsContact O-CB 3.25Å; P329-R332 WeakPolarHBondContact O-CB 3.31Å; P329-R332 PolarHBondContact O-N 3.42Å; T330-R332 VanDerWaalsContact C-N 3.34Å; R332-S334 VanDerWaalsContact C-N 3.34Å; R332-R335 PolarHBondContact O-N 3.01Å; R332-A336 PolarHBondContact O-N 2.93Å; R332-A336 VanDerWaalsContact O-N 3.1Å; R332-Y385 HydrophobicContact CG-CD1 4.11Å; R332-Y385 HydrophobicContact CG-CE1 3.4Å; R332-Y385 HydrophobicContact CG-CE2 4.44Å |
| 333 | A | 94.4 | Very high | 94.7 | Very high | 57 Ų | 57 | 50.4 Ų | 50.4 | 47% | 0.471 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y331 A336 L337 A386 | Y331-A333 PolarHBondContact O-N 2.9Å; A333-A336 PolarHBondContact O-N 3.18Å; A333-L337 WeakPolarHBondContact O-CB 3.25Å; A333-L337 PolarHBondContact O-N 3.05Å; A333-A386 HydrophobicContact CB-CB 4.47Å |
| 334 | S | 95.8 | Very high | 94.7 | Very high | 54 Ų | 54 | 51.3 Ų | 51.3 | 38% | 0.378 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 175.5 | -52.8 | 0 | 0 | 0 | 0 | 112.2 | Y331 R332 L337 L338 | Y331-S334 WeakPolarHBondContact O-CB 3.41Å; Y331-S334 PolarHBondContact O-N 2.67Å; Y331-S334 VanDerWaalsContact O-N 3.1Å; R332-S334 VanDerWaalsContact C-N 3.34Å; S334-L337 PolarHBondContact O-N 3.49Å; S334-L338 VanDerWaalsContact O-CB 3.29Å; S334-L338 WeakPolarHBondContact O-CB 3.09Å; S334-L338 PolarHBondContact O-N 2.88Å |
| 335 | R | 95.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 1% | 0.011 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.8 | -50 | 172.9 | -75.4 | -171.9 | -56 | -96.7 | 11.1 | 111.5 | Y277 F326 S328 Y331 R332 L337 L338 F339 Y385 | Y277-R335 VanDerWaalsContact CE2-CD 3.5Å; Y277-R335 WeakPolarHBondContact OH-CD 3.48Å; Y277-R335 PolarHBondContact OH-NE 3.07Å; F326-R335 HydrophobicContact CD1-CG 3.53Å; F326-R335 HydrophobicContact CE1-CB 4.19Å; F326-R335 HydrophobicContact CE1-CG 3.24Å; F326-R335 HydrophobicContact CZ-CG 4.02Å; F326-R335 PolarHBondContact O-NH1 3.27Å; S328-R335 PolarHBondContact O-NH1 3.25Å; Y331-R335 PolarHBondContact O-N 2.91Å; R332-R335 PolarHBondContact O-N 3.01Å; R335-L337 VanDerWaalsContact C-N 3.34Å; R335-L337 PolarHBondContact O-N 2.97Å; R335-L338 PolarHBondContact O-N 3.13Å; R335-F339 VanDerWaalsContact O-CD2 3.27Å; R335-F339 WeakPolarHBondContact O-CD2 3.29Å; R335-F339 PolarHBondContact O-N 3.29Å; R335-Y385 PolarHBondContact NH2-OH 3.47Å |
| 336 | A | 95.2 | Very high | 94.9 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.8 | -48.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R332 A333 L338 F339 S340 Y385 A386 | R332-A336 PolarHBondContact O-N 2.93Å; R332-A336 VanDerWaalsContact O-N 3.1Å; A333-A336 PolarHBondContact O-N 3.18Å; A336-L338 PolarHBondContact O-N 3.22Å; A336-F339 PolarHBondContact O-N 3.43Å; A336-S340 VanDerWaalsContact O-CB 3.27Å; A336-S340 WeakPolarHBondContact O-CB 3.4Å; A336-S340 PolarHBondContact O-N 3.04Å; A336-S340 PolarHBondContact O-OG 3.23Å; A336-Y385 HydrophobicContact CB-CD1 4.06Å; A336-Y385 HydrophobicContact CB-CE1 4.38Å; A336-A386 HydrophobicContact CB-CB 3.89Å |
| 337 | L | 96.2 | Very high | 95 | Very high | 124 Ų | 124 | 46.1 Ų | 46.1 | 65% | 0.649 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.5 | -43.3 | 178.2 | -179.2 | 61.8 | 0 | 0 | 0 | 112.5 | A333 S334 R335 S340 A341 | A333-L337 WeakPolarHBondContact O-CB 3.25Å; A333-L337 PolarHBondContact O-N 3.05Å; S334-L337 PolarHBondContact O-N 3.49Å; R335-L337 VanDerWaalsContact C-N 3.34Å; R335-L337 PolarHBondContact O-N 2.97Å; L337-S340 PolarHBondContact O-N 3.13Å; L337-A341 VanDerWaalsContact O-CB 3.23Å; L337-A341 WeakPolarHBondContact O-CB 3.44Å; L337-A341 PolarHBondContact O-N 3.13Å |
| 338 | L | 97 | Very high | 95.3 | Very high | 35 Ų | 35 | 49.6 Ų | 49.6 | 18% | 0.183 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.8 | -49.8 | 179.5 | 179.1 | 63.8 | 0 | 0 | 0 | 111.3 | F316 V320 F326 S334 R335 A336 A341 F342 | F316-L338 HydrophobicContact CE1-CD1 4.42Å; V320-L338 HydrophobicContact CB-CD2 4.14Å; V320-L338 HydrophobicContact CG1-CD2 3.88Å; F326-L338 HydrophobicContact CE1-CD2 4.14Å; F326-L338 HydrophobicContact CZ-CD2 4.18Å; S334-L338 VanDerWaalsContact O-CB 3.29Å; S334-L338 WeakPolarHBondContact O-CB 3.09Å; S334-L338 PolarHBondContact O-N 2.88Å; R335-L338 PolarHBondContact O-N 3.13Å; A336-L338 PolarHBondContact O-N 3.22Å; L338-A341 PolarHBondContact O-N 2.69Å; L338-F342 WeakPolarHBondContact O-CB 3.42Å; L338-F342 PolarHBondContact O-N 3.22Å |
| 339 | F | 96.7 | Very high | 95.5 | Very high | 24 Ų | 24 | 47.9 Ų | 47.9 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.6 | -35.8 | 179 | -72.4 | -60 | 0 | 0 | 0 | 112.8 | Y277 I280 C317 C321 R335 A336 F342 G343 | Y277-F339 HydrophobicContact CD1-CE2 4.42Å; I280-F339 HydrophobicContact CB-CD1 4.18Å; I280-F339 HydrophobicContact CB-CE1 3.89Å; I280-F339 HydrophobicContact CB-CE2 4.43Å; I280-F339 HydrophobicContact CB-CZ 4.02Å; I280-F339 HydrophobicContact CD1-CD2 4.21Å; I280-F339 HydrophobicContact CD1-CE2 3.97Å; I280-F339 HydrophobicContact CD1-CZ 4.32Å; I280-F339 HydrophobicContact CG2-CB 4.21Å; I280-F339 HydrophobicContact CG2-CD1 3.47Å; I280-F339 VanDerWaalsContact CG2-CD1 3.47Å; I280-F339 HydrophobicContact CG2-CD2 4.18Å; I280-F339 HydrophobicContact CG2-CE1 3.72Å; I280-F339 HydrophobicContact CG2-CE2 4.39Å; I280-F339 HydrophobicContact CG2-CG 3.71Å; I280-F339 HydrophobicContact CG2-CZ 4.17Å; C317-F339 HydrophobicContact CB-CE1 4.3Å; C321-F339 HydrophobicContact CB-CZ 4.11Å; C321-F339 VanDerWaalsContact SG-CE2 3.55Å; C321-F339 WeakPolarHBondContact SG-CZ 3.15Å; R335-F339 VanDerWaalsContact O-CD2 3.27Å; R335-F339 WeakPolarHBondContact O-CD2 3.29Å; R335-F339 PolarHBondContact O-N 3.29Å; A336-F339 PolarHBondContact O-N 3.43Å; F339-F342 PolarHBondContact O-N 3.48Å; F339-G343 PolarHBondContact O-N 3.32Å |
| 340 | S | 96.5 | Very high | 95.6 | Very high | 27 Ų | 27 | 46.6 Ų | 46.6 | 19% | 0.189 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 172.4 | -66.6 | 0 | 0 | 0 | 0 | 111.6 | A336 L337 F342 G343 L344 A382 | A336-S340 VanDerWaalsContact O-CB 3.27Å; A336-S340 WeakPolarHBondContact O-CB 3.4Å; A336-S340 PolarHBondContact O-N 3.04Å; A336-S340 PolarHBondContact O-OG 3.23Å; L337-S340 PolarHBondContact O-N 3.13Å; S340-F342 VanDerWaalsContact C-N 3.32Å; S340-F342 PolarHBondContact O-N 2.95Å; S340-G343 PolarHBondContact O-N 3.17Å; S340-L344 VanDerWaalsContact O-CB 3.25Å; S340-L344 WeakPolarHBondContact O-CB 3.23Å; S340-L344 VanDerWaalsContact O-CG 3.23Å; S340-L344 WeakPolarHBondContact O-CG 3.41Å; S340-L344 PolarHBondContact O-N 3.49Å; S340-A382 WeakPolarHBondContact OG-CB 3.44Å |
| 341 | A | 97.2 | Very high | 95.6 | Very high | 54 Ų | 54 | 44.9 Ų | 44.9 | 45% | 0.446 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L337 L338 L344 S345 | L337-A341 VanDerWaalsContact O-CB 3.23Å; L337-A341 WeakPolarHBondContact O-CB 3.44Å; L337-A341 PolarHBondContact O-N 3.13Å; L338-A341 PolarHBondContact O-N 2.69Å; A341-L344 PolarHBondContact O-N 3.26Å; A341-S345 PolarHBondContact O-N 3.43Å |
| 342 | F | 97.9 | Very high | 95.6 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 174.7 | -178.8 | -147.4 | 0 | 0 | 0 | 111.7 | V284 I285 V310 L313 G314 C317 L338 F339 S340 L344 S345 | V284-F342 HydrophobicContact CB-CD1 3.86Å; V284-F342 HydrophobicContact CB-CE1 3.51Å; V284-F342 HydrophobicContact CB-CZ 4.08Å; V284-F342 HydrophobicContact CG1-CD1 3.66Å; V284-F342 HydrophobicContact CG1-CD2 4.23Å; V284-F342 HydrophobicContact CG1-CE1 3.46Å; V284-F342 VanDerWaalsContact CG1-CE1 3.46Å; V284-F342 HydrophobicContact CG1-CE2 4.04Å; V284-F342 HydrophobicContact CG1-CG 4.04Å; V284-F342 HydrophobicContact CG1-CZ 3.65Å; V284-F342 HydrophobicContact CG2-CD1 4.23Å; V284-F342 HydrophobicContact CG2-CE1 4.33Å; I285-F342 HydrophobicContact CG1-CE1 4.45Å; I285-F342 HydrophobicContact CG1-CZ 3.97Å; V310-F342 HydrophobicContact CG1-CE2 4.16Å; V310-F342 HydrophobicContact CG1-CZ 4.09Å; L313-F342 HydrophobicContact CB-CD2 3.72Å; L313-F342 HydrophobicContact CB-CE2 3.55Å; L313-F342 HydrophobicContact CB-CZ 4.5Å; L313-F342 HydrophobicContact CD1-CD2 4.48Å; G314-F342 VanDerWaalsContact CA-CE1 3.47Å; C317-F342 HydrophobicContact CB-CD1 4.41Å; L338-F342 WeakPolarHBondContact O-CB 3.42Å; L338-F342 PolarHBondContact O-N 3.22Å; F339-F342 PolarHBondContact O-N 3.48Å; S340-F342 VanDerWaalsContact C-N 3.32Å; S340-F342 PolarHBondContact O-N 2.95Å; F342-L344 PolarHBondContact O-N 2.99Å; F342-S345 VanDerWaalsContact O-CB 3.31Å; F342-S345 WeakPolarHBondContact O-CB 3.15Å; F342-S345 PolarHBondContact O-N 2.8Å; F342-S345 PolarHBondContact O-OG 3.33Å |
| 343 | G | 96.7 | Very high | 95.5 | Very high | 41 Ų | 41 | 43.2 Ų | 43.2 | 42% | 0.423 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | F339 S340 S345 G346 | F339-G343 PolarHBondContact O-N 3.32Å; S340-G343 PolarHBondContact O-N 3.17Å; G343-S345 PolarHBondContact O-N 3.44Å; G343-G346 PolarHBondContact O-N 3.5Å |
| 344 | L | 96 | Very high | 95.3 | Very high | 77 Ų | 77 | 42.9 Ų | 42.9 | 40% | 0.403 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.7 | -16.8 | 178.6 | -75 | 171.9 | 0 | 0 | 0 | 113.7 | S340 A341 F342 G346 V347 I379 | S340-L344 VanDerWaalsContact O-CB 3.25Å; S340-L344 WeakPolarHBondContact O-CB 3.23Å; S340-L344 VanDerWaalsContact O-CG 3.23Å; S340-L344 WeakPolarHBondContact O-CG 3.41Å; S340-L344 PolarHBondContact O-N 3.49Å; A341-L344 PolarHBondContact O-N 3.26Å; F342-L344 PolarHBondContact O-N 2.99Å; L344-G346 PolarHBondContact O-N 3.35Å; L344-G346 VanDerWaalsContact O-N 3.11Å; L344-V347 HydrophobicContact CD2-CG2 4.3Å; L344-V347 VanDerWaalsContact O-CB 3.3Å; L344-V347 WeakPolarHBondContact O-CB 3.33Å; L344-V347 VanDerWaalsContact O-CG2 3.28Å; L344-V347 WeakPolarHBondContact O-CG2 3.41Å; L344-V347 PolarHBondContact O-N 2.96Å; L344-I379 HydrophobicContact CD2-CD1 4.02Å |
| 345 | S | 96.7 | Very high | 95 | Very high | 32 Ų | 32 | 45.6 Ų | 45.6 | 22% | 0.224 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24 | 171.4 | 76.5 | 0 | 0 | 0 | 0 | 112.3 | A341 F342 G343 V347 V348 P349 | A341-S345 PolarHBondContact O-N 3.43Å; F342-S345 VanDerWaalsContact O-CB 3.31Å; F342-S345 WeakPolarHBondContact O-CB 3.15Å; F342-S345 PolarHBondContact O-N 2.8Å; F342-S345 PolarHBondContact O-OG 3.33Å; G343-S345 PolarHBondContact O-N 3.44Å; S345-V347 PolarHBondContact O-N 3.41Å; S345-V348 PolarHBondContact O-N 2.97Å; S345-V348 VanDerWaalsContact O-N 3.16Å; S345-P349 VanDerWaalsContact O-CD 3.26Å; S345-P349 WeakPolarHBondContact O-CD 3.47Å |
| 346 | G | 94.8 | Very high | 94.6 | Very high | 20 Ų | 20 | 47 Ų | 47 | 21% | 0.206 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | W291 G343 L344 V348 P349 C350 | W291-G346 WeakPolarHBondContact CH2-O 3.36Å; G343-G346 PolarHBondContact O-N 3.5Å; L344-G346 PolarHBondContact O-N 3.35Å; L344-G346 VanDerWaalsContact O-N 3.11Å; G346-V348 VanDerWaalsContact C-N 3.26Å; G346-V348 PolarHBondContact O-N 3.47Å; G346-P349 WeakPolarHBondContact O-CD 3.3Å; G346-P349 WeakPolarHBondContact O-CG 3.17Å; G346-C350 VanDerWaalsContact O-CB 3.3Å; G346-C350 WeakPolarHBondContact O-CB 3.48Å; G346-C350 PolarHBondContact O-N 3.48Å; G346-C350 VanDerWaalsContact O-N 3.13Å |
| 347 | V | 94.9 | Very high | 94 | Very high | 79 Ų | 79 | 46.7 Ų | 46.7 | 48% | 0.479 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.1 | -36.1 | 172.5 | 174.9 | 0 | 0 | 0 | 0 | 111 | L344 S345 C350 V351 | L344-V347 HydrophobicContact CD2-CG2 4.3Å; L344-V347 VanDerWaalsContact O-CB 3.3Å; L344-V347 WeakPolarHBondContact O-CB 3.33Å; L344-V347 VanDerWaalsContact O-CG2 3.28Å; L344-V347 WeakPolarHBondContact O-CG2 3.41Å; L344-V347 PolarHBondContact O-N 2.96Å; S345-V347 PolarHBondContact O-N 3.41Å; V347-C350 WeakPolarHBondContact O-CB 3.14Å; V347-C350 PolarHBondContact O-N 3.43Å; V347-V351 HydrophobicContact CG1-CG2 4.03Å; V347-V351 WeakPolarHBondContact O-CG2 3.37Å; V347-V351 PolarHBondContact O-N 3.26Å |
| 348 | V | 96.6 | Very high | 92.7 | Very high | 91 Ų | 91 | 45.3 Ų | 45.3 | 55% | 0.552 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.5 | -56.9 | -179.6 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | Y306 S345 G346 C350 V351 H352 | Y306-V348 HydrophobicContact CE1-CG1 4.24Å; S345-V348 PolarHBondContact O-N 2.97Å; S345-V348 VanDerWaalsContact O-N 3.16Å; G346-V348 VanDerWaalsContact C-N 3.26Å; G346-V348 PolarHBondContact O-N 3.47Å; V348-C350 PolarHBondContact O-N 3.05Å; V348-V351 PolarHBondContact O-N 3.34Å; V348-H352 PolarHBondContact O-N 3.42Å |
| 349 | P | 95.4 | Very high | 90.9 | Very high | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.039 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62 | -29.4 | 173.7 | 18.4 | -27.5 | 0 | 0 | 0 | 113 | W291 F296 Y306 S345 G346 H352 Y353 | W291-P349 HydrophobicContact CH2-CB 3.74Å; W291-P349 HydrophobicContact CH2-CG 3.69Å; W291-P349 HydrophobicContact CZ3-CB 3.9Å; W291-P349 HydrophobicContact CZ3-CG 3.62Å; F296-P349 HydrophobicContact CE2-CB 3.93Å; F296-P349 HydrophobicContact CZ-CB 4.34Å; F296-P349 WeakPolarHBondContact CZ-O 3.35Å; Y306-P349 HydrophobicContact CD1-CB 3.86Å; Y306-P349 HydrophobicContact CD1-CG 4.15Å; Y306-P349 HydrophobicContact CD2-CB 3.85Å; Y306-P349 HydrophobicContact CE1-CB 3.94Å; Y306-P349 HydrophobicContact CE1-CG 4.38Å; Y306-P349 HydrophobicContact CE2-CB 3.92Å; Y306-P349 HydrophobicContact CG-CB 3.83Å; Y306-P349 HydrophobicContact CG-CG 4.44Å; S345-P349 VanDerWaalsContact O-CD 3.26Å; S345-P349 WeakPolarHBondContact O-CD 3.47Å; G346-P349 WeakPolarHBondContact O-CD 3.3Å; G346-P349 WeakPolarHBondContact O-CG 3.17Å; P349-H352 PolarHBondContact O-N 2.78Å; P349-Y353 VanDerWaalsContact O-CB 3.27Å; P349-Y353 WeakPolarHBondContact O-CB 3.41Å; P349-Y353 PolarHBondContact O-N 3.04Å |
| 350 | C | 93.5 | Very high | 89.1 | Confident | 19 Ų | 19 | 53.2 Ų | 53.2 | 13% | 0.128 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.2 | -48.4 | 178.3 | -175 | 0 | 0 | 0 | 0 | 111.1 | W291 G346 V347 V348 H352 Y353 I354 | W291-C350 HydrophobicContact CH2-CB 3.91Å; W291-C350 HydrophobicContact CZ2-CB 3.79Å; G346-C350 VanDerWaalsContact O-CB 3.3Å; G346-C350 WeakPolarHBondContact O-CB 3.48Å; G346-C350 PolarHBondContact O-N 3.48Å; G346-C350 VanDerWaalsContact O-N 3.13Å; V347-C350 WeakPolarHBondContact O-CB 3.14Å; V347-C350 PolarHBondContact O-N 3.43Å; V348-C350 PolarHBondContact O-N 3.05Å; C350-H352 VanDerWaalsContact C-N 3.33Å; C350-H352 PolarHBondContact O-N 3.26Å; C350-Y353 PolarHBondContact O-N 3.41Å; C350-I354 VanDerWaalsContact O-CG1 3.31Å; C350-I354 WeakPolarHBondContact O-CG1 3.43Å; C350-I354 PolarHBondContact O-N 3.27Å |
| 351 | V | 93.2 | Very high | 87.5 | Confident | 73 Ų | 73 | 61 Ų | 61 | 44% | 0.442 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 174.8 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | V347 V348 Y353 I354 L355 | V347-V351 HydrophobicContact CG1-CG2 4.03Å; V347-V351 WeakPolarHBondContact O-CG2 3.37Å; V347-V351 PolarHBondContact O-N 3.26Å; V348-V351 PolarHBondContact O-N 3.34Å; V351-Y353 PolarHBondContact O-N 3.32Å; V351-I354 PolarHBondContact O-N 3.36Å; V351-L355 HydrophobicContact CG1-CD1 3.92Å; V351-L355 HydrophobicContact CG1-CG 4.32Å; V351-L355 VanDerWaalsContact O-CG 3.27Å; V351-L355 WeakPolarHBondContact O-CG 3.33Å; V351-L355 PolarHBondContact O-N 3.42Å |
| 352 | H | 94.1 | Very high | 86 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 23% | 0.227 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.6 | -43 | 177.2 | -171.8 | -170.7 | 0 | 0 | 0 | 112.3 | F296 F302 Y306 V348 P349 C350 L355 I356 | F296-H352 HydrophobicContact CZ-CB 4.28Å; F302-H352 AromaticContact CD1-CE1 3.62Å; F302-H352 AromaticContact CD2-CE1 3.87Å; F302-H352 AromaticContact CE1-CE1 3.65Å; F302-H352 AromaticContact CE2-CE1 3.91Å; F302-H352 AromaticContact CE2-NE2 3.96Å; F302-H352 AromaticContact CG-CE1 3.75Å; F302-H352 AromaticContact CZ-CE1 3.8Å; F302-H352 AromaticContact CZ-NE2 3.94Å; Y306-H352 HydrophobicContact CE2-CB 4.48Å; Y306-H352 AromaticContact CE2-ND1 3.46Å; Y306-H352 WeakPolarHBondContact CE2-ND1 3.21Å; Y306-H352 AromaticContact CZ-ND1 3.53Å; Y306-H352 WeakPolarHBondContact OH-CB 3.44Å; Y306-H352 PolarHBondContact OH-ND1 3.01Å; V348-H352 PolarHBondContact O-N 3.42Å; P349-H352 PolarHBondContact O-N 2.78Å; C350-H352 VanDerWaalsContact C-N 3.33Å; C350-H352 PolarHBondContact O-N 3.26Å; H352-L355 PolarHBondContact O-N 3.5Å; H352-I356 WeakPolarHBondContact CD2-CD1 3.48Å; H352-I356 WeakPolarHBondContact NE2-CD1 3.3Å; H352-I356 WeakPolarHBondContact O-CG1 3.36Å; H352-I356 PolarHBondContact O-N 3.04Å; H352-I356 VanDerWaalsContact O-N 3.09Å |
| 353 | Y | 91 | Very high | 84.6 | Confident | 23 Ų | 23 | 61.8 Ų | 61.8 | 9% | 0.09 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 175.4 | 172.1 | -107.4 | 0 | 0 | 0 | 111.9 | S295 P349 C350 V351 L355 I356 E357 | S295-Y353 WeakPolarHBondContact O-CD2 3.32Å; S295-Y353 WeakPolarHBondContact O-CE2 3.5Å; P349-Y353 VanDerWaalsContact O-CB 3.27Å; P349-Y353 WeakPolarHBondContact O-CB 3.41Å; P349-Y353 PolarHBondContact O-N 3.04Å; C350-Y353 PolarHBondContact O-N 3.41Å; V351-Y353 PolarHBondContact O-N 3.32Å; Y353-L355 PolarHBondContact O-N 2.69Å; Y353-I356 PolarHBondContact O-N 3.44Å; Y353-E357 HydrophobicContact CD2-CG 3.81Å; Y353-E357 HydrophobicContact CE2-CB 4.48Å; Y353-E357 HydrophobicContact CE2-CG 3.39Å; Y353-E357 PolarHBondContact O-N 3.15Å |
| 354 | I | 90.3 | Very high | 83.7 | Confident | 50 Ų | 50 | 62.2 Ų | 62.2 | 26% | 0.256 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.8 | -48.7 | 176 | -67.7 | 165.1 | 0 | 0 | 0 | 109.8 | C350 V351 I356 E357 D358 L368 | C350-I354 VanDerWaalsContact O-CG1 3.31Å; C350-I354 WeakPolarHBondContact O-CG1 3.43Å; C350-I354 PolarHBondContact O-N 3.27Å; V351-I354 PolarHBondContact O-N 3.36Å; I354-I356 VanDerWaalsContact C-N 3.28Å; I354-I356 PolarHBondContact O-N 2.87Å; I354-E357 PolarHBondContact O-N 3.43Å; I354-D358 HydrophobicContact CG2-CB 4.36Å; I354-D358 WeakPolarHBondContact O-CA 3.21Å; I354-D358 WeakPolarHBondContact O-CB 3.45Å; I354-D358 PolarHBondContact O-N 3.23Å; I354-L368 HydrophobicContact CD1-CD1 4.34Å; I354-L368 HydrophobicContact CD1-CD2 4.15Å |
| 355 | L | 90 | Very high | 82.9 | Confident | 111 Ų | 111 | 66.5 Ų | 66.5 | 58% | 0.581 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.2 | -32.3 | -178.6 | -69 | 172.5 | 0 | 0 | 0 | 113.7 | V351 H352 Y353 L359 | V351-L355 HydrophobicContact CG1-CD1 3.92Å; V351-L355 HydrophobicContact CG1-CG 4.32Å; V351-L355 VanDerWaalsContact O-CG 3.27Å; V351-L355 WeakPolarHBondContact O-CG 3.33Å; V351-L355 PolarHBondContact O-N 3.42Å; H352-L355 PolarHBondContact O-N 3.5Å; Y353-L355 PolarHBondContact O-N 2.69Å; L355-L359 WeakPolarHBondContact O-CG 3.37Å |
| 356 | I | 87.7 | Confident | 82.1 | Confident | 32 Ų | 32 | 67.5 Ų | 67.5 | 16% | 0.164 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -78.6 | -43.6 | 177.9 | -66.7 | 165 | 0 | 0 | 0 | 111.5 | F296 Y299 F302 H352 Y353 I354 | F296-I356 HydrophobicContact CE1-CD1 4.16Å; Y299-I356 HydrophobicContact CD2-CG2 4.47Å; Y299-I356 HydrophobicContact CE1-CG2 4.09Å; Y299-I356 HydrophobicContact CE2-CG2 3.69Å; Y299-I356 VanDerWaalsContact CZ-CG2 3.46Å; Y299-I356 WeakPolarHBondContact OH-CG2 3.05Å; F302-I356 HydrophobicContact CD2-CD1 3.79Å; F302-I356 HydrophobicContact CE2-CD1 3.61Å; H352-I356 WeakPolarHBondContact CD2-CD1 3.48Å; H352-I356 WeakPolarHBondContact NE2-CD1 3.3Å; H352-I356 WeakPolarHBondContact O-CG1 3.36Å; H352-I356 PolarHBondContact O-N 3.04Å; H352-I356 VanDerWaalsContact O-N 3.09Å; Y353-I356 PolarHBondContact O-N 3.44Å; I354-I356 VanDerWaalsContact C-N 3.28Å; I354-I356 PolarHBondContact O-N 2.87Å |
| 357 | E | 82.3 | Confident | 81.8 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.028 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -87 | -22.5 | -174.6 | -66.2 | -73 | 158.9 | 0 | 0 | 113.8 | Y353 I354 L359 Q360 E361 R362 V363 | Y353-E357 HydrophobicContact CD2-CG 3.81Å; Y353-E357 HydrophobicContact CE2-CB 4.48Å; Y353-E357 HydrophobicContact CE2-CG 3.39Å; Y353-E357 PolarHBondContact O-N 3.15Å; I354-E357 PolarHBondContact O-N 3.43Å; E357-L359 PolarHBondContact O-N 3.44Å; E357-Q360 CarbonylContact O-C 3.32Å; E357-Q360 WeakPolarHBondContact O-CA 3.42Å; E357-Q360 PolarHBondContact O-N 3.22Å; E357-E361 PolarHBondContact O-N 3.49Å; E357-E361 VanDerWaalsContact O-N 3.11Å; E357-R362 HydrophobicContact CB-CB 4.18Å; E357-R362 PolarHBondContact O-N 3.03Å; E357-R362 WeakPolarHBondContact OE2-CB 3.2Å; E357-R362 VanDerWaalsContact OE2-CD 3.24Å; E357-R362 WeakPolarHBondContact OE2-CD 3.35Å; E357-V363 HydrophobicContact CB-CG2 3.81Å |
| 358 | D | 67.7 | Low | 81.5 | Confident | 95 Ų | 95 | 65 Ų | 65 | 51% | 0.508 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.7 | -26.5 | 175 | -168 | 53.4 | 0 | 0 | 0 | 111.3 | I354 Q360 | I354-D358 HydrophobicContact CG2-CB 4.36Å; I354-D358 WeakPolarHBondContact O-CA 3.21Å; I354-D358 WeakPolarHBondContact O-CB 3.45Å; I354-D358 PolarHBondContact O-N 3.23Å; D358-Q360 PolarHBondContact O-N 2.88Å; D358-Q360 VanDerWaalsContact O-N 3.08Å |
| 359 | L | 58.9 | Low | 81.3 | Confident | 155 Ų | 155 | 62.4 Ų | 62.4 | 81% | 0.812 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -9.9 | 165 | -64.3 | 173.9 | 0 | 0 | 0 | 112.9 | L355 E357 | L355-L359 WeakPolarHBondContact O-CG 3.37Å; E357-L359 PolarHBondContact O-N 3.44Å |
| 360 | Q | 59.9 | Low | 81.3 | Confident | 71 Ų | 71 | 65.8 Ų | 65.8 | 33% | 0.332 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | 8.5 | -175.1 | -61.9 | -169.6 | -19.2 | 0 | 0 | 115 | E357 D358 R362 | E357-Q360 CarbonylContact O-C 3.32Å; E357-Q360 WeakPolarHBondContact O-CA 3.42Å; E357-Q360 PolarHBondContact O-N 3.22Å; D358-Q360 PolarHBondContact O-N 2.88Å; D358-Q360 VanDerWaalsContact O-N 3.08Å; Q360-R362 VanDerWaalsContact C-N 3.29Å; Q360-R362 HydrophobicContact CB-CG 4.16Å; Q360-R362 WeakPolarHBondContact O-CG 3.32Å; Q360-R362 PolarHBondContact O-N 2.89Å |
| 361 | E | 63.5 | Low | 81.3 | Confident | 190 Ų | 190 | 66 Ų | 66 | 89% | 0.888 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 27.4 | -175.7 | -62.2 | -170.5 | 172.4 | 0 | 0 | 115.8 | E357 | E357-E361 PolarHBondContact O-N 3.49Å; E357-E361 VanDerWaalsContact O-N 3.11Å |
| 362 | R | 64.8 | Low | 81.4 | Confident | 63 Ų | 63 | 67.6 Ų | 67.6 | 24% | 0.238 | 34% | 0.337 | C | S | . | . | trans | -103.9 | -3.7 | -165.1 | -83.2 | 170.8 | -171.6 | -165.8 | 0.2 | 116.7 | E357 Q360 H364 H429 K433 | E357-R362 HydrophobicContact CB-CB 4.18Å; E357-R362 PolarHBondContact O-N 3.03Å; E357-R362 WeakPolarHBondContact OE2-CB 3.2Å; E357-R362 VanDerWaalsContact OE2-CD 3.24Å; E357-R362 WeakPolarHBondContact OE2-CD 3.35Å; Q360-R362 VanDerWaalsContact C-N 3.29Å; Q360-R362 HydrophobicContact CB-CG 4.16Å; Q360-R362 WeakPolarHBondContact O-CG 3.32Å; Q360-R362 PolarHBondContact O-N 2.89Å; R362-H364 PolarHBondContact O-N 3.02Å; R362-H429 PolarHBondContact O-NE2 3Å; R362-K433 VanDerWaalsContact CB-NZ 3.33Å; R362-K433 VanDerWaalsContact CG-NZ 3.33Å; R362-K433 PolarHBondContact O-NZ 3.26Å | ||
| 363 | V | 68.2 | Low | 81.5 | Confident | 15 Ų | 15 | 68.9 Ų | 68.9 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | trans | -67.8 | 126 | -176.3 | 179.8 | 0 | 0 | 0 | 0 | 111 | E357 Y365 | E357-V363 HydrophobicContact CB-CG2 3.81Å; V363-Y365 PolarHBondContact O-N 2.79Å | ||
| 364 | H | 77.4 | Confident | 81.8 | Confident | 50 Ų | 50 | 69.4 Ų | 69.4 | 23% | 0.231 | 35% | 0.349 | C | S | . | . | trans | -84.8 | 93.1 | 175.3 | -161.6 | -106.2 | 0 | 0 | 0 | 110.4 | R362 S366 A367 L368 E425 H429 | R362-H364 PolarHBondContact O-N 3.02Å; H364-S366 PolarHBondContact O-N 3.45Å; H364-S366 VanDerWaalsContact O-N 3.14Å; H364-A367 HydrophobicContact CB-CB 4.35Å; H364-A367 PolarHBondContact O-N 3.13Å; H364-L368 PolarHBondContact O-N 3.41Å; H364-E425 IonicContact CE1-OE2 3.3Å; H364-E425 PolarHBondContact CE1-OE2 3.36Å; H364-E425 VanDerWaalsContact CE1-OE2 3.3Å; H364-H429 HydrophobicContact CB-CB 4.4Å; H364-H429 AromaticContact CD2-CE1 3.93Å; H364-H429 AromaticContact CD2-CG 3.77Å; H364-H429 AromaticContact CD2-ND1 3.6Å | ||
| 365 | Y | 79.7 | Confident | 82 | Confident | 167 Ų | 167 | 68.5 Ų | 68.5 | 66% | 0.655 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -56.1 | -31.3 | -175.4 | -69.9 | -75.4 | 0 | 0 | 0 | 114.2 | V363 L368 G369 | V363-Y365 PolarHBondContact O-N 2.79Å; Y365-L368 PolarHBondContact O-N 3.31Å; Y365-G369 PolarHBondContact O-N 3.12Å |
| 366 | S | 81.1 | Confident | 82.4 | Confident | 53 Ų | 53 | 65.7 Ų | 65.7 | 37% | 0.371 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 175.1 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | H364 L368 G369 W370 | H364-S366 PolarHBondContact O-N 3.45Å; H364-S366 VanDerWaalsContact O-N 3.14Å; S366-L368 VanDerWaalsContact C-N 3.31Å; S366-L368 PolarHBondContact O-N 3.46Å; S366-G369 PolarHBondContact O-N 3.33Å; S366-G369 VanDerWaalsContact O-N 3.16Å; S366-W370 PolarHBondContact O-N 3.13Å |
| 367 | A | 86.8 | Confident | 82.9 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | H364 W370 L371 E425 I426 | H364-A367 HydrophobicContact CB-CB 4.35Å; H364-A367 PolarHBondContact O-N 3.13Å; A367-W370 PolarHBondContact O-N 2.76Å; A367-L371 WeakPolarHBondContact O-CG 3.48Å; A367-L371 PolarHBondContact O-N 2.93Å; A367-L371 VanDerWaalsContact O-N 3.08Å; A367-E425 HydrophobicContact CB-CB 4.18Å; A367-I426 HydrophobicContact CB-CB 4.16Å |
| 368 | L | 89.4 | Confident | 83.5 | Confident | 40 Ų | 40 | 67.9 Ų | 67.9 | 21% | 0.209 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 174.2 | -175.8 | 62 | 0 | 0 | 0 | 112 | I354 H364 Y365 S366 W370 L371 I372 | I354-L368 HydrophobicContact CD1-CD1 4.34Å; I354-L368 HydrophobicContact CD1-CD2 4.15Å; H364-L368 PolarHBondContact O-N 3.41Å; Y365-L368 PolarHBondContact O-N 3.31Å; S366-L368 VanDerWaalsContact C-N 3.31Å; S366-L368 PolarHBondContact O-N 3.46Å; L368-W370 VanDerWaalsContact C-N 3.33Å; L368-W370 PolarHBondContact O-N 3.15Å; L368-L371 WeakPolarHBondContact O-CB 3.24Å; L368-L371 PolarHBondContact O-N 3.46Å; L368-L371 VanDerWaalsContact O-N 3.17Å; L368-I372 HydrophobicContact CG-CD1 4.23Å; L368-I372 WeakPolarHBondContact O-CG1 3.49Å; L368-I372 PolarHBondContact O-N 2.86Å |
| 369 | G | 92.8 | Very high | 84.9 | Confident | 38 Ų | 38 | 66.7 Ų | 66.7 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.6 | -43.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y365 S366 L371 I372 L373 | Y365-G369 PolarHBondContact O-N 3.12Å; S366-G369 PolarHBondContact O-N 3.33Å; S366-G369 VanDerWaalsContact O-N 3.16Å; G369-L371 PolarHBondContact O-N 3.16Å; G369-I372 PolarHBondContact O-N 2.95Å; G369-L373 PolarHBondContact O-N 3.18Å |
| 370 | W | 94.9 | Very high | 86.8 | Confident | 77 Ų | 77 | 61.3 Ų | 61.3 | 29% | 0.292 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 173.9 | -69.3 | 116.7 | 0 | 0 | 0 | 112.7 | S366 A367 L368 L373 M374 V418 N421 A422 | S366-W370 PolarHBondContact O-N 3.13Å; A367-W370 PolarHBondContact O-N 2.76Å; L368-W370 VanDerWaalsContact C-N 3.33Å; L368-W370 PolarHBondContact O-N 3.15Å; W370-L373 HydrophobicContact CE3-CD2 4.1Å; W370-L373 HydrophobicContact CZ3-CD2 4.04Å; W370-L373 PolarHBondContact O-N 3.14Å; W370-M374 WeakPolarHBondContact O-CB 3.33Å; W370-M374 PolarHBondContact O-N 2.83Å; W370-V418 HydrophobicContact CE3-CG1 3.93Å; W370-V418 HydrophobicContact CZ3-CG2 4.41Å; W370-V418 VanDerWaalsContact O-CG1 3.25Å; W370-V418 WeakPolarHBondContact O-CG1 3.35Å; W370-N421 HydrophobicContact CD2-CB 4.04Å; W370-N421 HydrophobicContact CE3-CB 4.33Å; W370-N421 HydrophobicContact CG-CB 4.41Å; W370-N421 HydrophobicContact CZ2-CB 4.37Å; W370-A422 HydrophobicContact CB-CB 3.61Å |
| 371 | L | 93.4 | Very high | 88.6 | Confident | 23 Ų | 23 | 58 Ų | 58 | 12% | 0.12 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65 | -40.1 | 175.5 | -68.4 | 169.1 | 0 | 0 | 0 | 112.4 | W291 A367 L368 G369 M374 A375 A422 | W291-L371 HydrophobicContact CZ2-CD1 4.38Å; A367-L371 WeakPolarHBondContact O-CG 3.48Å; A367-L371 PolarHBondContact O-N 2.93Å; A367-L371 VanDerWaalsContact O-N 3.08Å; L368-L371 WeakPolarHBondContact O-CB 3.24Å; L368-L371 PolarHBondContact O-N 3.46Å; L368-L371 VanDerWaalsContact O-N 3.17Å; G369-L371 PolarHBondContact O-N 3.16Å; L371-M374 HydrophobicContact CD2-CE 3.89Å; L371-M374 PolarHBondContact O-N 2.88Å; L371-A375 WeakPolarHBondContact O-CB 3.5Å; L371-A375 PolarHBondContact O-N 2.83Å; L371-A422 HydrophobicContact CD2-CB 4.06Å; L371-A422 HydrophobicContact CG-CB 4.18Å |
| 372 | I | 94.9 | Very high | 90.1 | Very high | 106 Ų | 106 | 49.3 Ų | 49.3 | 54% | 0.544 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 175.9 | -67.9 | 167.1 | 0 | 0 | 0 | 110.3 | L368 G369 M374 A375 A376 | L368-I372 HydrophobicContact CG-CD1 4.23Å; L368-I372 WeakPolarHBondContact O-CG1 3.49Å; L368-I372 PolarHBondContact O-N 2.86Å; G369-I372 PolarHBondContact O-N 2.95Å; I372-M374 VanDerWaalsContact C-N 3.34Å; I372-M374 PolarHBondContact O-N 2.87Å; I372-A375 PolarHBondContact O-N 2.67Å; I372-A376 WeakPolarHBondContact O-CB 3.45Å; I372-A376 PolarHBondContact O-N 3.18Å |
| 373 | L | 96.8 | Very high | 91.7 | Very high | 77 Ų | 77 | 49.6 Ų | 49.6 | 40% | 0.403 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 176.2 | -180 | 59.4 | 0 | 0 | 0 | 111.5 | G369 W370 A376 L377 V418 | G369-L373 PolarHBondContact O-N 3.18Å; W370-L373 HydrophobicContact CE3-CD2 4.1Å; W370-L373 HydrophobicContact CZ3-CD2 4.04Å; W370-L373 PolarHBondContact O-N 3.14Å; L373-A376 PolarHBondContact O-N 3.35Å; L373-L377 HydrophobicContact CD1-CG 4.49Å; L373-L377 HydrophobicContact CG-CD1 4.31Å; L373-L377 WeakPolarHBondContact O-CG 3.27Å; L373-L377 PolarHBondContact O-N 3.1Å; L373-V418 HydrophobicContact CB-CG1 4.02Å; L373-V418 HydrophobicContact CD2-CG1 4.05Å; L373-V418 HydrophobicContact CD2-CG2 4.03Å; L373-V418 HydrophobicContact CG-CG1 3.93Å; L373-V418 HydrophobicContact CG-CG2 4.36Å |
| 374 | M | 96.8 | Very high | 93.1 | Very high | 34 Ų | 34 | 50.8 Ų | 50.8 | 17% | 0.167 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 174.9 | 172.1 | -81.6 | -69.5 | 0 | 0 | 111.2 | W370 L371 I372 A376 L377 Y378 A415 V418 H419 | W370-M374 WeakPolarHBondContact O-CB 3.33Å; W370-M374 PolarHBondContact O-N 2.83Å; L371-M374 HydrophobicContact CD2-CE 3.89Å; L371-M374 PolarHBondContact O-N 2.88Å; I372-M374 VanDerWaalsContact C-N 3.34Å; I372-M374 PolarHBondContact O-N 2.87Å; M374-A376 PolarHBondContact O-N 3.26Å; M374-L377 PolarHBondContact O-N 2.79Å; M374-Y378 HydrophobicContact CG-CD2 3.88Å; M374-Y378 HydrophobicContact CG-CE2 3.69Å; M374-Y378 WeakPolarHBondContact O-CD2 3.29Å; M374-Y378 PolarHBondContact O-N 2.84Å; M374-Y378 HydrophobicContact SD-CD2 3.33Å; M374-Y378 WeakPolarHBondContact SD-CD2 3.46Å; M374-Y378 HydrophobicContact SD-CE2 3.48Å; M374-Y378 WeakPolarHBondContact SD-CE2 3.35Å; M374-A415 HydrophobicContact CG-CB 4.44Å; M374-V418 HydrophobicContact CB-CG1 3.77Å; M374-H419 HydrophobicContact CG-CB 4.04Å |
| 375 | A | 96.1 | Very high | 94 | Very high | 30 Ų | 30 | 49.2 Ų | 49.2 | 25% | 0.248 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L371 I372 L377 Y378 I379 | L371-A375 WeakPolarHBondContact O-CB 3.5Å; L371-A375 PolarHBondContact O-N 2.83Å; I372-A375 PolarHBondContact O-N 2.67Å; A375-L377 VanDerWaalsContact C-N 3.34Å; A375-L377 PolarHBondContact O-N 2.74Å; A375-Y378 PolarHBondContact O-N 2.95Å; A375-I379 WeakPolarHBondContact O-CB 3.36Å; A375-I379 WeakPolarHBondContact O-CD1 3.4Å; A375-I379 WeakPolarHBondContact O-CG1 3.38Å; A375-I379 PolarHBondContact O-N 3.05Å |
| 376 | A | 97.8 | Very high | 94.8 | Very high | 52 Ų | 52 | 42.3 Ų | 42.3 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I372 L373 M374 S380 | I372-A376 WeakPolarHBondContact O-CB 3.45Å; I372-A376 PolarHBondContact O-N 3.18Å; L373-A376 PolarHBondContact O-N 3.35Å; M374-A376 PolarHBondContact O-N 3.26Å; A376-S380 VanDerWaalsContact O-CB 3.25Å; A376-S380 WeakPolarHBondContact O-CB 3.48Å; A376-S380 PolarHBondContact O-N 3.12Å; A376-S380 PolarHBondContact O-OG 2.96Å |
| 377 | L | 98 | Very high | 95.5 | Very high | 29 Ų | 29 | 43.2 Ų | 43.2 | 15% | 0.152 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.1 | -49.6 | 175.5 | -70.8 | 168.7 | 0 | 0 | 0 | 111.6 | L373 M374 A375 I379 S380 G381 F411 L414 A415 V418 | L373-L377 HydrophobicContact CD1-CG 4.49Å; L373-L377 HydrophobicContact CG-CD1 4.31Å; L373-L377 WeakPolarHBondContact O-CG 3.27Å; L373-L377 PolarHBondContact O-N 3.1Å; M374-L377 PolarHBondContact O-N 2.79Å; A375-L377 VanDerWaalsContact C-N 3.34Å; A375-L377 PolarHBondContact O-N 2.74Å; L377-I379 PolarHBondContact O-N 3.18Å; L377-S380 PolarHBondContact O-OG 3.38Å; L377-S380 VanDerWaalsContact O-OG 3.05Å; L377-G381 PolarHBondContact O-N 3.02Å; L377-F411 HydrophobicContact CD2-CD1 4.21Å; L377-F411 HydrophobicContact CD2-CE1 4.35Å; L377-F411 VanDerWaalsContact O-CD1 3.31Å; L377-F411 WeakPolarHBondContact O-CD1 3.05Å; L377-L414 HydrophobicContact CD1-CB 4.23Å; L377-A415 HydrophobicContact CB-CB 3.86Å; L377-A415 HydrophobicContact CD1-CB 4.32Å; L377-V418 HydrophobicContact CD1-CB 4.38Å; L377-V418 HydrophobicContact CD1-CG2 3.87Å |
| 378 | Y | 95.8 | Very high | 96 | Very high | 55 Ų | 55 | 44.9 Ų | 44.9 | 22% | 0.216 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 179.5 | -79.1 | -54 | 0 | 0 | 0 | 113.2 | M374 A375 A382 V412 A415 | M374-Y378 HydrophobicContact CG-CD2 3.88Å; M374-Y378 HydrophobicContact CG-CE2 3.69Å; M374-Y378 WeakPolarHBondContact O-CD2 3.29Å; M374-Y378 PolarHBondContact O-N 2.84Å; M374-Y378 HydrophobicContact SD-CD2 3.33Å; M374-Y378 WeakPolarHBondContact SD-CD2 3.46Å; M374-Y378 HydrophobicContact SD-CE2 3.48Å; M374-Y378 WeakPolarHBondContact SD-CE2 3.35Å; A375-Y378 PolarHBondContact O-N 2.95Å; Y378-A382 WeakPolarHBondContact O-CB 3.4Å; Y378-A382 PolarHBondContact O-N 3.37Å; Y378-V412 HydrophobicContact CE1-CB 4.49Å; Y378-V412 HydrophobicContact CE1-CG1 4.46Å; Y378-V412 HydrophobicContact CE1-CG2 4.29Å; Y378-A415 HydrophobicContact CD1-CB 3.9Å; Y378-A415 HydrophobicContact CD2-CB 3.86Å; Y378-A415 HydrophobicContact CE1-CB 3.65Å; Y378-A415 HydrophobicContact CE2-CB 3.62Å; Y378-A415 HydrophobicContact CG-CB 3.99Å |
| 379 | I | 96.6 | Very high | 96.4 | Very high | 71 Ų | 71 | 46 Ų | 46 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.8 | -45.8 | -178.7 | -65.4 | 166.2 | 0 | 0 | 0 | 110.5 | L344 A375 L377 A382 T383 | L344-I379 HydrophobicContact CD2-CD1 4.02Å; A375-I379 WeakPolarHBondContact O-CB 3.36Å; A375-I379 WeakPolarHBondContact O-CD1 3.4Å; A375-I379 WeakPolarHBondContact O-CG1 3.38Å; A375-I379 PolarHBondContact O-N 3.05Å; L377-I379 PolarHBondContact O-N 3.18Å; I379-A382 PolarHBondContact O-N 3.06Å; I379-T383 VanDerWaalsContact O-CB 3.25Å; I379-T383 WeakPolarHBondContact O-CB 3.24Å; I379-T383 PolarHBondContact O-N 3Å; I379-T383 PolarHBondContact O-OG1 3.47Å |
| 380 | S | 97.8 | Very high | 96.7 | Very high | 42 Ų | 42 | 45.3 Ų | 45.3 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.5 | -44.8 | 178.6 | 54.6 | 0 | 0 | 0 | 0 | 111.4 | A376 L377 T383 I384 F411 | A376-S380 VanDerWaalsContact O-CB 3.25Å; A376-S380 WeakPolarHBondContact O-CB 3.48Å; A376-S380 PolarHBondContact O-N 3.12Å; A376-S380 PolarHBondContact O-OG 2.96Å; L377-S380 PolarHBondContact O-OG 3.38Å; L377-S380 VanDerWaalsContact O-OG 3.05Å; S380-T383 PolarHBondContact O-N 3.45Å; S380-I384 WeakPolarHBondContact O-CB 3.35Å; S380-I384 VanDerWaalsContact O-CG1 3.23Å; S380-I384 WeakPolarHBondContact O-CG1 3.31Å; S380-I384 PolarHBondContact O-N 2.94Å; S380-F411 WeakPolarHBondContact OG-CD1 3.36Å; S380-F411 WeakPolarHBondContact OG-CE1 3.32Å |
| 381 | G | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -47.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L377 T383 I384 Y385 | L377-G381 PolarHBondContact O-N 3.02Å; G381-T383 VanDerWaalsContact C-N 3.32Å; G381-T383 PolarHBondContact O-N 3.4Å; G381-I384 PolarHBondContact O-N 2.84Å; G381-Y385 WeakPolarHBondContact O-CB 3.18Å; G381-Y385 PolarHBondContact O-N 3.32Å |
| 382 | A | 96.6 | Very high | 97 | Very high | 9 Ų | 9 | 45.2 Ų | 45.2 | 7% | 0.074 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.2 | -36.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S340 Y378 I379 Y385 A386 | S340-A382 WeakPolarHBondContact OG-CB 3.44Å; Y378-A382 WeakPolarHBondContact O-CB 3.4Å; Y378-A382 PolarHBondContact O-N 3.37Å; I379-A382 PolarHBondContact O-N 3.06Å; A382-Y385 PolarHBondContact O-N 3.46Å; A382-A386 VanDerWaalsContact O-CB 3.31Å; A382-A386 WeakPolarHBondContact O-CB 3.44Å; A382-A386 PolarHBondContact O-N 3.22Å |
| 383 | T | 97.4 | Very high | 97.1 | Very high | 68 Ų | 68 | 45.3 Ų | 45.3 | 42% | 0.417 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.9 | -46.1 | 175.7 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | I379 S380 G381 Y385 A386 L387 | I379-T383 VanDerWaalsContact O-CB 3.25Å; I379-T383 WeakPolarHBondContact O-CB 3.24Å; I379-T383 PolarHBondContact O-N 3Å; I379-T383 PolarHBondContact O-OG1 3.47Å; S380-T383 PolarHBondContact O-N 3.45Å; G381-T383 VanDerWaalsContact C-N 3.32Å; G381-T383 PolarHBondContact O-N 3.4Å; T383-Y385 VanDerWaalsContact C-N 3.34Å; T383-Y385 PolarHBondContact O-N 3.38Å; T383-A386 PolarHBondContact O-N 3.27Å; T383-L387 HydrophobicContact CG2-CD1 3.76Å; T383-L387 HydrophobicContact CG2-CG 4.31Å; T383-L387 VanDerWaalsContact O-CB 3.3Å; T383-L387 WeakPolarHBondContact O-CB 3.19Å; T383-L387 VanDerWaalsContact O-CG 3.3Å; T383-L387 WeakPolarHBondContact O-CG 3.38Å; T383-L387 PolarHBondContact O-N 2.84Å |
| 384 | I | 97.5 | Very high | 97.1 | Very high | 41 Ų | 41 | 48.4 Ų | 48.4 | 21% | 0.21 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 175.8 | -72.1 | 168.8 | 0 | 0 | 0 | 110.4 | S380 G381 L387 R388 I389 S404 I407 F411 | S380-I384 WeakPolarHBondContact O-CB 3.35Å; S380-I384 VanDerWaalsContact O-CG1 3.23Å; S380-I384 WeakPolarHBondContact O-CG1 3.31Å; S380-I384 PolarHBondContact O-N 2.94Å; G381-I384 PolarHBondContact O-N 2.84Å; I384-L387 CarbonylContact O-C 3.59Å; I384-L387 PolarHBondContact O-N 3.49Å; I384-R388 PolarHBondContact O-N 3.43Å; I384-I389 VanDerWaalsContact CG2-O 3.26Å; I384-I389 WeakPolarHBondContact CG2-O 3.46Å; I384-I389 PolarHBondContact O-N 2.84Å; I384-S404 WeakPolarHBondContact O-CB 3.27Å; I384-I407 HydrophobicContact CD1-CG2 3.94Å; I384-I407 HydrophobicContact CG2-CB 4.14Å; I384-I407 HydrophobicContact CG2-CD1 4.3Å; I384-I407 HydrophobicContact CG2-CG2 4.1Å; I384-F411 HydrophobicContact CD1-CE1 4.48Å |
| 385 | Y | 96.5 | Very high | 97.1 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 7% | 0.067 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.2 | -50.3 | 175.2 | 169.3 | -96.5 | 0 | 0 | 0 | 112.8 | R332 R335 A336 G381 A382 T383 L387 R388 H405 F408 | R332-Y385 HydrophobicContact CG-CD1 4.11Å; R332-Y385 HydrophobicContact CG-CE1 3.4Å; R332-Y385 HydrophobicContact CG-CE2 4.44Å; R335-Y385 PolarHBondContact NH2-OH 3.47Å; A336-Y385 HydrophobicContact CB-CD1 4.06Å; A336-Y385 HydrophobicContact CB-CE1 4.38Å; G381-Y385 WeakPolarHBondContact O-CB 3.18Å; G381-Y385 PolarHBondContact O-N 3.32Å; A382-Y385 PolarHBondContact O-N 3.46Å; T383-Y385 VanDerWaalsContact C-N 3.34Å; T383-Y385 PolarHBondContact O-N 3.38Å; Y385-L387 VanDerWaalsContact C-N 3.32Å; Y385-L387 PolarHBondContact O-N 3.48Å; Y385-R388 PolarHBondContact O-N 2.83Å; Y385-H405 AromaticContact CE2-CE1 3.68Å; Y385-H405 AromaticContact CE2-ND1 3.66Å; Y385-F408 HydrophobicContact CD2-CD1 4.28Å; Y385-F408 HydrophobicContact CG-CG 4.48Å |
| 386 | A | 96.4 | Very high | 97.1 | Very high | 21 Ų | 21 | 49.7 Ų | 49.7 | 17% | 0.174 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A333 A336 A382 T383 | A333-A386 HydrophobicContact CB-CB 4.47Å; A336-A386 HydrophobicContact CB-CB 3.89Å; A382-A386 VanDerWaalsContact O-CB 3.31Å; A382-A386 WeakPolarHBondContact O-CB 3.44Å; A382-A386 PolarHBondContact O-N 3.22Å; T383-A386 PolarHBondContact O-N 3.27Å |
| 387 | L | 96.8 | Very high | 97.1 | Very high | 73 Ų | 73 | 55.3 Ų | 55.3 | 38% | 0.382 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -85.1 | -6.1 | 180 | -60.9 | -178.3 | 0 | 0 | 0 | 113.5 | T383 I384 Y385 I389 R392 | T383-L387 HydrophobicContact CG2-CD1 3.76Å; T383-L387 HydrophobicContact CG2-CG 4.31Å; T383-L387 VanDerWaalsContact O-CB 3.3Å; T383-L387 WeakPolarHBondContact O-CB 3.19Å; T383-L387 VanDerWaalsContact O-CG 3.3Å; T383-L387 WeakPolarHBondContact O-CG 3.38Å; T383-L387 PolarHBondContact O-N 2.84Å; I384-L387 CarbonylContact O-C 3.59Å; I384-L387 PolarHBondContact O-N 3.49Å; Y385-L387 VanDerWaalsContact C-N 3.32Å; Y385-L387 PolarHBondContact O-N 3.48Å; L387-I389 HydrophobicContact CB-CD1 3.77Å; L387-I389 HydrophobicContact CB-CG1 3.89Å; L387-I389 HydrophobicContact CD1-CD1 4.05Å; L387-I389 PolarHBondContact O-N 3.27Å; L387-R392 VanDerWaalsContact C-NH2 3.28Å; L387-R392 PolarHBondContact O-NE 3.22Å; L387-R392 PolarHBondContact O-NH1 2.85Å; L387-R392 PolarHBondContact O-NH2 2.94Å |
| 388 | R | 97.2 | Very high | 97 | Very high | 40 Ų | 40 | 56.2 Ų | 56.2 | 15% | 0.151 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 39.6 | 179 | -57.5 | -173.7 | -80.2 | 160.4 | -1.1 | 113.2 | N177 D178 F179 I384 Y385 E391 R392 | N177-R388 WeakPolarHBondContact OD1-CD 3.34Å; N177-R388 PolarHBondContact OD1-NH1 3.33Å; D178-R388 IonicContact OD1-CZ 2.69Å; D178-R388 IonicContact OD1-NH1 3.76Å; D178-R388 PolarHBondContact OD1-NH1 3.01Å; D178-R388 IonicContact OD1-NH2 3.86Å; F179-R388 HydrophobicContact CD2-CB 4.04Å; F179-R388 HydrophobicContact CE2-CB 4.18Å; F179-R388 VanDerWaalsContact CE2-NH1 3.31Å; I384-R388 PolarHBondContact O-N 3.43Å; Y385-R388 PolarHBondContact O-N 2.83Å; R388-E391 HydrophobicContact CB-CG 4.5Å; R388-E391 PolarHBondContact O-N 2.85Å; R388-R392 HydrophobicContact CB-CB 4.44Å; R388-R392 WeakPolarHBondContact O-CB 3.48Å; R388-R392 PolarHBondContact O-N 3.13Å |
| 389 | I | 97.5 | Very high | 97.1 | Very high | 63 Ų | 63 | 54.2 Ų | 54.2 | 32% | 0.323 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 136.1 | 179.3 | -64.5 | 174.5 | 0 | 0 | 0 | 107.9 | I384 L387 L393 S404 | I384-I389 VanDerWaalsContact CG2-O 3.26Å; I384-I389 WeakPolarHBondContact CG2-O 3.46Å; I384-I389 PolarHBondContact O-N 2.84Å; L387-I389 HydrophobicContact CB-CD1 3.77Å; L387-I389 HydrophobicContact CB-CG1 3.89Å; L387-I389 HydrophobicContact CD1-CD1 4.05Å; L387-I389 PolarHBondContact O-N 3.27Å; I389-L393 HydrophobicContact CG2-CD1 4.35Å; I389-S404 WeakPolarHBondContact O-CA 3.35Å; I389-S404 VanDerWaalsContact O-CB 3.23Å; I389-S404 WeakPolarHBondContact O-CB 3.44Å |
| 390 | P | 97.8 | Very high | 97.1 | Very high | 23 Ų | 23 | 52.4 Ų | 52.4 | 15% | 0.149 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -93.7 | -7 | 10.4 | 37 | -36.2 | 0 | 0 | 0 | 115.5 | R392 L393 Y394 F398 F402 | P390-R392 PolarHBondContact O-N 2.9Å; P390-L393 WeakPolarHBondContact O-CB 3.26Å; P390-L393 PolarHBondContact O-N 3.37Å; P390-Y394 PolarHBondContact O-N 2.84Å; P390-F398 HydrophobicContact CB-CD2 4.19Å; P390-F398 HydrophobicContact CB-CE1 4.46Å; P390-F398 HydrophobicContact CB-CE2 3.86Å; P390-F398 HydrophobicContact CB-CZ 4Å; P390-F398 HydrophobicContact CG-CD1 3.78Å; P390-F398 HydrophobicContact CG-CD2 3.88Å; P390-F398 HydrophobicContact CG-CE1 3.76Å; P390-F398 HydrophobicContact CG-CE2 3.85Å; P390-F398 HydrophobicContact CG-CG 3.83Å; P390-F398 HydrophobicContact CG-CZ 3.79Å; P390-F402 WeakPolarHBondContact CD-O 3.37Å; P390-F402 WeakPolarHBondContact CG-O 3.49Å |
| 391 | E | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26.8 | -172.7 | 69.4 | -85.1 | -161 | 0 | 0 | 113.6 | N177 F179 L180 R388 L393 Y394 P395 F398 S404 | N177-E391 PolarHBondContact ND2-OE1 3.2Å; F179-E391 HydrophobicContact CB-CB 4.12Å; F179-E391 HydrophobicContact CB-CG 3.76Å; F179-E391 HydrophobicContact CD2-CG 4.34Å; L180-E391 HydrophobicContact CD2-CB 4.16Å; L180-E391 HydrophobicContact CD2-CG 4.16Å; R388-E391 HydrophobicContact CB-CG 4.5Å; R388-E391 PolarHBondContact O-N 2.85Å; E391-L393 VanDerWaalsContact C-N 3.28Å; E391-L393 PolarHBondContact O-N 3.3Å; E391-Y394 CarbonylContact O-C 3.47Å; E391-Y394 VanDerWaalsContact O-C 3.25Å; E391-Y394 PolarHBondContact O-N 2.86Å; E391-P395 WeakPolarHBondContact O-CA 3.37Å; E391-P395 VanDerWaalsContact O-N 3.09Å; E391-F398 HydrophobicContact CB-CB 4.08Å; E391-S404 VanDerWaalsContact OE1-CB 3.25Å; E391-S404 WeakPolarHBondContact OE1-CB 3.45Å; E391-S404 PolarHBondContact OE1-N 2.56Å; E391-S404 PolarHBondContact OE1-OG 3.16Å; E391-S404 WeakPolarHBondContact OE2-CB 3.43Å; E391-S404 PolarHBondContact OE2-N 3.28Å |
| 392 | R | 97.2 | Very high | 97.1 | Very high | 97 Ų | 97 | 63.9 Ų | 63.9 | 37% | 0.366 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -38.1 | 170 | 177.7 | 179.7 | -64.7 | -177 | 7.2 | 112.4 | F179 L387 R388 P390 | F179-R392 HydrophobicContact CD2-CB 3.82Å; F179-R392 HydrophobicContact CD2-CG 4.41Å; F179-R392 HydrophobicContact CE2-CB 3.54Å; F179-R392 HydrophobicContact CE2-CG 3.66Å; F179-R392 HydrophobicContact CZ-CB 4.08Å; F179-R392 HydrophobicContact CZ-CG 3.74Å; L387-R392 VanDerWaalsContact C-NH2 3.28Å; L387-R392 PolarHBondContact O-NE 3.22Å; L387-R392 PolarHBondContact O-NH1 2.85Å; L387-R392 PolarHBondContact O-NH2 2.94Å; R388-R392 HydrophobicContact CB-CB 4.44Å; R388-R392 WeakPolarHBondContact O-CB 3.48Å; R388-R392 PolarHBondContact O-N 3.13Å; P390-R392 PolarHBondContact O-N 2.9Å |
| 393 | L | 97.5 | Very high | 97.1 | Very high | 109 Ų | 109 | 63.7 Ų | 63.7 | 57% | 0.571 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -32.4 | -177.2 | -58.8 | 177.8 | 0 | 0 | 0 | 111.5 | I389 P390 E391 | I389-L393 HydrophobicContact CG2-CD1 4.35Å; P390-L393 WeakPolarHBondContact O-CB 3.26Å; P390-L393 PolarHBondContact O-N 3.37Å; E391-L393 VanDerWaalsContact C-N 3.28Å; E391-L393 PolarHBondContact O-N 3.3Å |
| 394 | Y | 97 | Very high | 97.1 | Very high | 142 Ų | 142 | 60.6 Ų | 60.6 | 56% | 0.557 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -134.9 | 74 | -179.5 | -51 | -84.1 | 0 | 0 | 0 | 111.4 | P390 E391 G396 K397 F398 | P390-Y394 PolarHBondContact O-N 2.84Å; E391-Y394 CarbonylContact O-C 3.47Å; E391-Y394 VanDerWaalsContact O-C 3.25Å; E391-Y394 PolarHBondContact O-N 2.86Å; Y394-G396 PolarHBondContact O-N 2.95Å; Y394-K397 WeakPolarHBondContact O-CB 3.21Å; Y394-K397 PolarHBondContact O-N 3.08Å; Y394-K397 VanDerWaalsContact O-N 3.13Å; Y394-F398 AromaticContact CD2-CE2 3.77Å; Y394-F398 HydrophobicContact CD2-CE2 3.77Å; Y394-F398 HydrophobicContact CG-CE2 4.15Å |
| 395 | P | 96.9 | Very high | 97.1 | Very high | 63 Ų | 63 | 59.9 Ų | 59.9 | 41% | 0.409 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 135.6 | -179.8 | -26.4 | 35.6 | 0 | 0 | 0 | 112 | F179 L181 E391 K397 | F179-P395 HydrophobicContact CD1-CB 4.4Å; F179-P395 HydrophobicContact CD1-CG 3.98Å; F179-P395 WeakPolarHBondContact O-CA 3.32Å; L181-P395 HydrophobicContact CD1-CB 4.46Å; E391-P395 WeakPolarHBondContact O-CA 3.37Å; E391-P395 VanDerWaalsContact O-N 3.09Å; P395-K397 VanDerWaalsContact C-N 3.28Å; P395-K397 PolarHBondContact O-N 3.02Å |
| 396 | G | 95.8 | Very high | 97.2 | Very high | 27 Ų | 27 | 59.6 Ų | 59.6 | 28% | 0.278 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -7.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | F179 Y394 D399 | F179-G396 PolarHBondContact O-N 3.32Å; Y394-G396 PolarHBondContact O-N 2.95Å; G396-D399 VanDerWaalsContact CA-OD1 3.26Å; G396-D399 WeakPolarHBondContact CA-OD1 3.26Å |
| 397 | K | 96.9 | Very high | 97.3 | Very high | 170 Ų | 170 | 60.3 Ų | 60.3 | 74% | 0.739 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -26.8 | 178.7 | -66.4 | -65.1 | -173.1 | 175 | 0 | 113.4 | Y394 P395 | Y394-K397 WeakPolarHBondContact O-CB 3.21Å; Y394-K397 PolarHBondContact O-N 3.08Å; Y394-K397 VanDerWaalsContact O-N 3.13Å; P395-K397 VanDerWaalsContact C-N 3.28Å; P395-K397 PolarHBondContact O-N 3.02Å |
| 398 | F | 97.3 | Very high | 97.3 | Very high | 49 Ų | 49 | 58.4 Ų | 58.4 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -111.7 | 28.3 | -176.4 | -62.9 | -81.8 | 0 | 0 | 0 | 112 | P390 E391 Y394 I400 W401 F402 | P390-F398 HydrophobicContact CB-CD2 4.19Å; P390-F398 HydrophobicContact CB-CE1 4.46Å; P390-F398 HydrophobicContact CB-CE2 3.86Å; P390-F398 HydrophobicContact CB-CZ 4Å; P390-F398 HydrophobicContact CG-CD1 3.78Å; P390-F398 HydrophobicContact CG-CD2 3.88Å; P390-F398 HydrophobicContact CG-CE1 3.76Å; P390-F398 HydrophobicContact CG-CE2 3.85Å; P390-F398 HydrophobicContact CG-CG 3.83Å; P390-F398 HydrophobicContact CG-CZ 3.79Å; E391-F398 HydrophobicContact CB-CB 4.08Å; Y394-F398 AromaticContact CD2-CE2 3.77Å; Y394-F398 HydrophobicContact CD2-CE2 3.77Å; Y394-F398 HydrophobicContact CG-CE2 4.15Å; F398-I400 VanDerWaalsContact C-N 3.29Å; F398-I400 PolarHBondContact O-N 3.49Å; F398-W401 WeakPolarHBondContact CA-O 3.31Å; F398-W401 WeakPolarHBondContact CD1-O 3.37Å; F398-F402 HydrophobicContact CD1-CB 3.96Å; F398-F402 HydrophobicContact CE1-CB 4.3Å |
| 399 | D | 97 | Very high | 97.4 | Very high | 13 Ų | 13 | 56.6 Ų | 56.6 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -60.1 | -36.9 | -175.5 | -77.1 | -6.9 | 0 | 0 | 0 | 112.8 | L180 L181 R182 T203 G396 | L180-D399 VanDerWaalsContact CA-OD1 3.24Å; L180-D399 WeakPolarHBondContact CA-OD1 3.41Å; L181-D399 PolarHBondContact N-OD1 3.28Å; R182-D399 WeakPolarHBondContact CA-OD2 3.43Å; R182-D399 WeakPolarHBondContact CB-OD2 3.29Å; R182-D399 PolarHBondContact N-OD2 2.83Å; T203-D399 WeakPolarHBondContact CA-O 3.18Å; T203-D399 VanDerWaalsContact CG2-O 3.24Å; T203-D399 WeakPolarHBondContact CG2-O 3.19Å; G396-D399 VanDerWaalsContact CA-OD1 3.26Å; G396-D399 WeakPolarHBondContact CA-OD1 3.26Å |
| 400 | I | 96.7 | Very high | 97.4 | Very high | 33 Ų | 33 | 56.5 Ų | 56.5 | 17% | 0.169 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -108.7 | -38.8 | -175.1 | -56.5 | -60.1 | 0 | 0 | 0 | 112.4 | L201 F398 Q406 | L201-I400 HydrophobicContact CD1-CG2 3.48Å; L201-I400 VanDerWaalsContact CD1-CG2 3.48Å; L201-I400 HydrophobicContact CD2-CG2 4.2Å; L201-I400 HydrophobicContact CG-CG2 3.76Å; F398-I400 VanDerWaalsContact C-N 3.29Å; F398-I400 PolarHBondContact O-N 3.49Å; I400-Q406 PolarHBondContact O-NE2 2.75Å; I400-Q406 PolarHBondContact O-OE1 3.04Å |
| 401 | W | 97.7 | Very high | 97.5 | Very high | 138 Ų | 138 | 57.8 Ų | 57.8 | 52% | 0.523 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -127.3 | 143.9 | -172.4 | -58.8 | 117.9 | 0 | 0 | 0 | 111.4 | L201 F398 Q403 | L201-W401 HydrophobicContact CD1-CH2 4.42Å; L201-W401 HydrophobicContact CD1-CZ2 3.78Å; F398-W401 WeakPolarHBondContact CA-O 3.31Å; F398-W401 WeakPolarHBondContact CD1-O 3.37Å; W401-Q403 VanDerWaalsContact C-N 3.27Å; W401-Q403 PolarHBondContact O-N 3.46Å |
| 402 | F | 97.2 | Very high | 97.5 | Very high | 145 Ų | 145 | 58.4 Ų | 58.4 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 60.3 | 26.8 | 174.4 | -51.1 | -74.3 | 0 | 0 | 0 | 115.4 | P390 F398 | P390-F402 WeakPolarHBondContact CD-O 3.37Å; P390-F402 WeakPolarHBondContact CG-O 3.49Å; F398-F402 HydrophobicContact CD1-CB 3.96Å; F398-F402 HydrophobicContact CE1-CB 4.3Å |
| 403 | Q | 96.7 | Very high | 97.6 | Very high | 5 Ų | 5 | 54.8 Ų | 54.8 | 2% | 0.023 | 26% | 0.263 | C | S | . | . | trans | -66.4 | 154.1 | 165.5 | 56 | 163.1 | -29.1 | 0 | 0 | 111.1 | L180 T203 N207 W401 H405 Q406 I407 | L180-Q403 HydrophobicContact CD2-CB 4Å; T203-Q403 PolarHBondContact O-NE2 2.83Å; N207-Q403 PolarHBondContact ND2-NE2 3.48Å; W401-Q403 VanDerWaalsContact C-N 3.27Å; W401-Q403 PolarHBondContact O-N 3.46Å; Q403-H405 PolarHBondContact O-N 3.07Å; Q403-H405 VanDerWaalsContact O-N 3.09Å; Q403-Q406 HydrophobicContact CG-CB 4.04Å; Q403-Q406 HydrophobicContact CG-CG 3.57Å; Q403-Q406 WeakPolarHBondContact O-CB 3.2Å; Q403-Q406 PolarHBondContact O-N 3.47Å; Q403-I407 PolarHBondContact O-N 2.73Å; Q403-I407 VanDerWaalsContact O-N 3.11Å | ||
| 404 | S | 97.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -49.6 | -39.6 | -179.2 | 65.7 | 0 | 0 | 0 | 0 | 114.2 | I384 I389 E391 I407 F408 | I384-S404 WeakPolarHBondContact O-CB 3.27Å; I389-S404 WeakPolarHBondContact O-CA 3.35Å; I389-S404 VanDerWaalsContact O-CB 3.23Å; I389-S404 WeakPolarHBondContact O-CB 3.44Å; E391-S404 VanDerWaalsContact OE1-CB 3.25Å; E391-S404 WeakPolarHBondContact OE1-CB 3.45Å; E391-S404 PolarHBondContact OE1-N 2.56Å; E391-S404 PolarHBondContact OE1-OG 3.16Å; E391-S404 WeakPolarHBondContact OE2-CB 3.43Å; E391-S404 PolarHBondContact OE2-N 3.28Å; S404-I407 PolarHBondContact O-N 3.23Å; S404-F408 WeakPolarHBondContact O-CB 3.23Å; S404-F408 PolarHBondContact O-N 3.03Å |
| 405 | H | 97.8 | Very high | 97.7 | Very high | 25 Ų | 25 | 46.6 Ų | 46.6 | 12% | 0.116 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.4 | -40.4 | -180 | -149 | 125.3 | 0 | 0 | 0 | 111.9 | H259 Y385 Q403 F408 H409 | H259-H405 AromaticContact CE1-CD2 3.97Å; H259-H405 AromaticContact CE1-CE1 3.91Å; H259-H405 AromaticContact CE1-NE2 3.49Å; H259-H405 PolarHBondContact CE1-NE2 3.46Å; H259-H405 AromaticContact NE2-NE2 3.52Å; Y385-H405 AromaticContact CE2-CE1 3.68Å; Y385-H405 AromaticContact CE2-ND1 3.66Å; Q403-H405 PolarHBondContact O-N 3.07Å; Q403-H405 VanDerWaalsContact O-N 3.09Å; H405-F408 WeakPolarHBondContact O-CB 3.2Å; H405-F408 PolarHBondContact O-N 2.95Å; H405-H409 AromaticContact CD2-CD2 3.56Å; H405-H409 AromaticContact CD2-NE2 3.27Å; H405-H409 PolarHBondContact CD2-NE2 2.98Å; H405-H409 VanDerWaalsContact CD2-NE2 3.27Å; H405-H409 AromaticContact NE2-NE2 3.37Å; H405-H409 PolarHBondContact NE2-NE2 3.4Å; H405-H409 PolarHBondContact O-CD2 3.22Å; H405-H409 VanDerWaalsContact O-CD2 3.28Å; H405-H409 PolarHBondContact O-N 3.24Å |
| 406 | Q | 98.2 | Very high | 97.8 | Very high | 11 Ų | 11 | 43.7 Ų | 43.7 | 5% | 0.051 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.2 | -41.8 | 176.3 | -72.3 | 175.7 | -7.2 | 0 | 0 | 111.2 | N207 I400 Q403 F408 H409 V410 | N207-Q406 WeakPolarHBondContact OD1-CA 3.4Å; N207-Q406 WeakPolarHBondContact OD1-CG 3.3Å; N207-Q406 PolarHBondContact OD1-N 3.32Å; I400-Q406 PolarHBondContact O-NE2 2.75Å; I400-Q406 PolarHBondContact O-OE1 3.04Å; Q403-Q406 HydrophobicContact CG-CB 4.04Å; Q403-Q406 HydrophobicContact CG-CG 3.57Å; Q403-Q406 WeakPolarHBondContact O-CB 3.2Å; Q403-Q406 PolarHBondContact O-N 3.47Å; Q406-F408 VanDerWaalsContact C-N 3.31Å; Q406-F408 PolarHBondContact O-N 2.86Å; Q406-H409 WeakPolarHBondContact O-CB 3.24Å; Q406-H409 PolarHBondContact O-N 2.83Å; Q406-V410 WeakPolarHBondContact O-CG2 3.21Å; Q406-V410 PolarHBondContact O-N 2.83Å |
| 407 | I | 98.1 | Very high | 97.9 | Very high | 37 Ų | 37 | 44.7 Ų | 44.7 | 19% | 0.19 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.3 | -44.3 | 177 | -61.4 | 169.6 | 0 | 0 | 0 | 109.6 | I384 Q403 S404 H409 V410 F411 | I384-I407 HydrophobicContact CD1-CG2 3.94Å; I384-I407 HydrophobicContact CG2-CB 4.14Å; I384-I407 HydrophobicContact CG2-CD1 4.3Å; I384-I407 HydrophobicContact CG2-CG2 4.1Å; Q403-I407 PolarHBondContact O-N 2.73Å; Q403-I407 VanDerWaalsContact O-N 3.11Å; S404-I407 PolarHBondContact O-N 3.23Å; I407-H409 PolarHBondContact O-N 3.46Å; I407-V410 PolarHBondContact O-N 3.42Å; I407-F411 HydrophobicContact CG2-CD2 3.86Å; I407-F411 HydrophobicContact CG2-CE2 3.63Å; I407-F411 HydrophobicContact CG2-CZ 4.22Å; I407-F411 WeakPolarHBondContact O-CD2 3.22Å; I407-F411 PolarHBondContact O-N 3.06Å |
| 408 | F | 98.1 | Very high | 97.9 | Very high | 33 Ų | 33 | 37.5 Ų | 37.5 | 15% | 0.145 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.2 | -46.3 | 174.6 | 172.4 | -113.1 | 0 | 0 | 0 | 112.3 | Y385 S404 H405 Q406 V410 F411 V412 | Y385-F408 HydrophobicContact CD2-CD1 4.28Å; Y385-F408 HydrophobicContact CG-CG 4.48Å; S404-F408 WeakPolarHBondContact O-CB 3.23Å; S404-F408 PolarHBondContact O-N 3.03Å; H405-F408 WeakPolarHBondContact O-CB 3.2Å; H405-F408 PolarHBondContact O-N 2.95Å; Q406-F408 VanDerWaalsContact C-N 3.31Å; Q406-F408 PolarHBondContact O-N 2.86Å; F408-V410 VanDerWaalsContact C-N 3.34Å; F408-V410 PolarHBondContact O-N 3.36Å; F408-F411 PolarHBondContact O-N 2.83Å; F408-F411 VanDerWaalsContact O-N 3.1Å; F408-V412 HydrophobicContact CD2-CG2 4.14Å; F408-V412 HydrophobicContact CE1-CG2 4.07Å; F408-V412 HydrophobicContact CE2-CG2 3.67Å; F408-V412 HydrophobicContact CZ-CG2 3.63Å; F408-V412 WeakPolarHBondContact O-CG2 3.48Å; F408-V412 PolarHBondContact O-N 3.49Å |
| 409 | H | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.5 | -45.3 | 176.2 | -79.6 | -151.1 | 0 | 0 | 0 | 112.8 | N207 T210 H211 H259 H405 Q406 I407 F411 V412 V413 | N207-H409 PolarHBondContact O-CE1 3.38Å; N207-H409 PolarHBondContact O-ND1 2.89Å; T210-H409 VanDerWaalsContact OG1-CB 3.31Å; T210-H409 WeakPolarHBondContact OG1-CB 3.49Å; T210-H409 PolarHBondContact OG1-ND1 2.86Å; H211-H409 AromaticContact CD2-CG 3.74Å; H211-H409 AromaticContact CD2-ND1 3.73Å; H211-H409 AromaticContact CE1-CD2 3.42Å; H211-H409 PolarHBondContact CE1-CD2 3.37Å; H211-H409 VanDerWaalsContact CE1-CD2 3.42Å; H211-H409 AromaticContact CE1-CE1 3.57Å; H211-H409 AromaticContact CE1-CG 3.42Å; H211-H409 VanDerWaalsContact CE1-CG 3.42Å; H211-H409 AromaticContact CE1-ND1 3.52Å; H211-H409 AromaticContact CE1-NE2 3.53Å; H211-H409 AromaticContact CG-CE1 3.96Å; H211-H409 AromaticContact CG-ND1 3.55Å; H211-H409 AromaticContact ND1-CE1 3.38Å; H211-H409 PolarHBondContact ND1-CE1 2.9Å; H211-H409 AromaticContact ND1-CG 3.8Å; H211-H409 AromaticContact ND1-ND1 3.4Å; H211-H409 PolarHBondContact ND1-ND1 3.37Å; H211-H409 AromaticContact ND1-NE2 3.78Å; H211-H409 VanDerWaalsContact NE2-CA 3.3Å; H211-H409 WeakPolarHBondContact NE2-CA 3.49Å; H211-H409 WeakPolarHBondContact NE2-CB 3.48Å; H211-H409 AromaticContact NE2-CD2 3.74Å; H211-H409 AromaticContact NE2-CG 3.38Å; H211-H409 AromaticContact NE2-ND1 3.74Å; H211-H409 PolarHBondContact NE2-O 2.82Å; H259-H409 AromaticContact CD2-CE1 3.48Å; H259-H409 PolarHBondContact CD2-CE1 3.19Å; H259-H409 VanDerWaalsContact CD2-CE1 3.48Å; H259-H409 AromaticContact NE2-CE1 3.26Å; H259-H409 PolarHBondContact NE2-CE1 3.44Å; H259-H409 VanDerWaalsContact NE2-CE1 3.26Å; H259-H409 AromaticContact NE2-NE2 3.43Å; H259-H409 PolarHBondContact NE2-NE2 3.08Å; H405-H409 AromaticContact CD2-CD2 3.56Å; H405-H409 AromaticContact CD2-NE2 3.27Å; H405-H409 PolarHBondContact CD2-NE2 2.98Å; H405-H409 VanDerWaalsContact CD2-NE2 3.27Å; H405-H409 AromaticContact NE2-NE2 3.37Å; H405-H409 PolarHBondContact NE2-NE2 3.4Å; H405-H409 PolarHBondContact O-CD2 3.22Å; H405-H409 VanDerWaalsContact O-CD2 3.28Å; H405-H409 PolarHBondContact O-N 3.24Å; Q406-H409 WeakPolarHBondContact O-CB 3.24Å; Q406-H409 PolarHBondContact O-N 2.83Å; I407-H409 PolarHBondContact O-N 3.46Å; H409-F411 VanDerWaalsContact C-N 3.3Å; H409-F411 PolarHBondContact O-N 2.76Å; H409-V412 PolarHBondContact O-N 3.41Å; H409-V413 PolarHBondContact O-N 2.87Å; H409-V413 VanDerWaalsContact O-N 3.16Å |
| 410 | V | 98.5 | Very high | 97.9 | Very high | 61 Ų | 61 | 35.8 Ų | 35.8 | 37% | 0.37 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.4 | -43.6 | 175.9 | 174 | 0 | 0 | 0 | 0 | 110.6 | T210 Q406 I407 F408 V412 V413 L414 | T210-V410 HydrophobicContact CG2-CG2 3.68Å; Q406-V410 WeakPolarHBondContact O-CG2 3.21Å; Q406-V410 PolarHBondContact O-N 2.83Å; I407-V410 PolarHBondContact O-N 3.42Å; F408-V410 VanDerWaalsContact C-N 3.34Å; F408-V410 PolarHBondContact O-N 3.36Å; V410-V412 VanDerWaalsContact C-N 3.34Å; V410-V412 PolarHBondContact O-N 2.91Å; V410-V413 PolarHBondContact O-N 3.26Å; V410-L414 HydrophobicContact CG1-CD1 3.87Å; V410-L414 HydrophobicContact CG1-CG 4.26Å; V410-L414 WeakPolarHBondContact O-CG 3.44Å; V410-L414 PolarHBondContact O-N 3.42Å |
| 411 | F | 98.5 | Very high | 97.9 | Very high | 49 Ų | 49 | 37.7 Ų | 37.7 | 22% | 0.215 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.3 | -36.2 | -179.1 | -82 | -135 | 0 | 0 | 0 | 111.9 | L377 S380 I384 I407 F408 H409 L414 A415 | L377-F411 HydrophobicContact CD2-CD1 4.21Å; L377-F411 HydrophobicContact CD2-CE1 4.35Å; L377-F411 VanDerWaalsContact O-CD1 3.31Å; L377-F411 WeakPolarHBondContact O-CD1 3.05Å; S380-F411 WeakPolarHBondContact OG-CD1 3.36Å; S380-F411 WeakPolarHBondContact OG-CE1 3.32Å; I384-F411 HydrophobicContact CD1-CE1 4.48Å; I407-F411 HydrophobicContact CG2-CD2 3.86Å; I407-F411 HydrophobicContact CG2-CE2 3.63Å; I407-F411 HydrophobicContact CG2-CZ 4.22Å; I407-F411 WeakPolarHBondContact O-CD2 3.22Å; I407-F411 PolarHBondContact O-N 3.06Å; F408-F411 PolarHBondContact O-N 2.83Å; F408-F411 VanDerWaalsContact O-N 3.1Å; H409-F411 VanDerWaalsContact C-N 3.3Å; H409-F411 PolarHBondContact O-N 2.76Å; F411-L414 PolarHBondContact O-N 3.06Å; F411-A415 WeakPolarHBondContact O-CB 3.11Å; F411-A415 PolarHBondContact O-N 3.45Å |
| 412 | V | 98.4 | Very high | 97.7 | Very high | 14 Ų | 14 | 31.2 Ų | 31.2 | 9% | 0.085 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 173.6 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | L283 Y378 F408 H409 V410 A415 A416 | L283-V412 HydrophobicContact CD2-CG1 4.11Å; Y378-V412 HydrophobicContact CE1-CB 4.49Å; Y378-V412 HydrophobicContact CE1-CG1 4.46Å; Y378-V412 HydrophobicContact CE1-CG2 4.29Å; F408-V412 HydrophobicContact CD2-CG2 4.14Å; F408-V412 HydrophobicContact CE1-CG2 4.07Å; F408-V412 HydrophobicContact CE2-CG2 3.67Å; F408-V412 HydrophobicContact CZ-CG2 3.63Å; F408-V412 WeakPolarHBondContact O-CG2 3.48Å; F408-V412 PolarHBondContact O-N 3.49Å; H409-V412 PolarHBondContact O-N 3.41Å; V410-V412 VanDerWaalsContact C-N 3.34Å; V410-V412 PolarHBondContact O-N 2.91Å; V412-A415 PolarHBondContact O-N 3.37Å; V412-A416 WeakPolarHBondContact O-CB 3.38Å; V412-A416 PolarHBondContact O-N 3.44Å |
| 413 | V | 98.6 | Very high | 97.6 | Very high | 21 Ų | 21 | 24.3 Ų | 24.3 | 13% | 0.127 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.5 | -46.5 | 178.4 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | L252 H409 V410 A416 L417 | L252-V413 HydrophobicContact CD2-CG2 3.96Å; H409-V413 PolarHBondContact O-N 2.87Å; H409-V413 VanDerWaalsContact O-N 3.16Å; V410-V413 PolarHBondContact O-N 3.26Å; V413-A416 PolarHBondContact O-N 2.92Å; V413-L417 HydrophobicContact CG1-CD1 4.25Å; V413-L417 WeakPolarHBondContact O-CG 3.46Å; V413-L417 PolarHBondContact O-N 2.93Å |
| 414 | L | 98.5 | Very high | 97.4 | Very high | 79 Ų | 79 | 25.9 Ų | 25.9 | 41% | 0.414 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.7 | -45 | 177.8 | -68.3 | 177 | 0 | 0 | 0 | 111.8 | L377 V410 F411 A416 L417 V418 | L377-L414 HydrophobicContact CD1-CB 4.23Å; V410-L414 HydrophobicContact CG1-CD1 3.87Å; V410-L414 HydrophobicContact CG1-CG 4.26Å; V410-L414 WeakPolarHBondContact O-CG 3.44Å; V410-L414 PolarHBondContact O-N 3.42Å; F411-L414 PolarHBondContact O-N 3.06Å; L414-A416 VanDerWaalsContact C-N 3.31Å; L414-A416 PolarHBondContact O-N 3.23Å; L414-L417 PolarHBondContact O-N 3.41Å; L414-V418 WeakPolarHBondContact O-CB 3.41Å; L414-V418 VanDerWaalsContact O-CG2 3.29Å; L414-V418 WeakPolarHBondContact O-CG2 3.3Å; L414-V418 PolarHBondContact O-N 2.85Å |
| 415 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.3 | -39 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M374 L377 Y378 F411 V412 V418 H419 | M374-A415 HydrophobicContact CG-CB 4.44Å; L377-A415 HydrophobicContact CB-CB 3.86Å; L377-A415 HydrophobicContact CD1-CB 4.32Å; Y378-A415 HydrophobicContact CD1-CB 3.9Å; Y378-A415 HydrophobicContact CD2-CB 3.86Å; Y378-A415 HydrophobicContact CE1-CB 3.65Å; Y378-A415 HydrophobicContact CE2-CB 3.62Å; Y378-A415 HydrophobicContact CG-CB 3.99Å; F411-A415 WeakPolarHBondContact O-CB 3.11Å; F411-A415 PolarHBondContact O-N 3.45Å; V412-A415 PolarHBondContact O-N 3.37Å; A415-V418 PolarHBondContact O-N 3.14Å; A415-H419 VanDerWaalsContact O-CB 3.3Å; A415-H419 WeakPolarHBondContact O-CB 3.22Å; A415-H419 PolarHBondContact O-N 2.95Å |
| 416 | A | 98.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 2% | 0.017 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.8 | -40 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F218 F244 V412 V413 L414 H419 L420 | F218-A416 HydrophobicContact CE1-CB 4.3Å; F218-A416 HydrophobicContact CE2-CB 3.88Å; F218-A416 HydrophobicContact CZ-CB 3.4Å; F218-A416 VanDerWaalsContact CZ-CB 3.4Å; F244-A416 HydrophobicContact CZ-CB 4.28Å; F244-A416 WeakPolarHBondContact CZ-O 3.45Å; V412-A416 WeakPolarHBondContact O-CB 3.38Å; V412-A416 PolarHBondContact O-N 3.44Å; V413-A416 PolarHBondContact O-N 2.92Å; L414-A416 VanDerWaalsContact C-N 3.31Å; L414-A416 PolarHBondContact O-N 3.23Å; A416-H419 PolarHBondContact O-N 3.46Å; A416-L420 PolarHBondContact O-N 2.92Å |
| 417 | L | 98.2 | Very high | 96.6 | Very high | 49 Ų | 49 | 27.2 Ų | 27.2 | 26% | 0.257 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -66 | -42.1 | 174.9 | -70.3 | 169.6 | 0 | 0 | 0 | 112 | F218 L221 V413 L414 H419 L420 N421 | F218-L417 HydrophobicContact CE2-CD2 4.13Å; F218-L417 HydrophobicContact CE2-CG 4.23Å; F218-L417 HydrophobicContact CZ-CD2 4.06Å; F218-L417 HydrophobicContact CZ-CG 4.25Å; L221-L417 HydrophobicContact CD1-CD2 3.77Å; V413-L417 HydrophobicContact CG1-CD1 4.25Å; V413-L417 WeakPolarHBondContact O-CG 3.46Å; V413-L417 PolarHBondContact O-N 2.93Å; L414-L417 PolarHBondContact O-N 3.41Å; L417-H419 VanDerWaalsContact C-N 3.33Å; L417-L420 WeakPolarHBondContact O-CB 3.44Å; L417-L420 PolarHBondContact O-N 2.9Å; L417-N421 PolarHBondContact O-N 2.98Å; L417-N421 PolarHBondContact O-ND2 3.49Å |
| 418 | V | 97.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 30.6 Ų | 30.6 | 11% | 0.109 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 173.7 | 164.5 | 0 | 0 | 0 | 0 | 110.6 | W370 L373 M374 L377 L414 A415 L420 N421 A422 | W370-V418 HydrophobicContact CE3-CG1 3.93Å; W370-V418 HydrophobicContact CZ3-CG2 4.41Å; W370-V418 VanDerWaalsContact O-CG1 3.25Å; W370-V418 WeakPolarHBondContact O-CG1 3.35Å; L373-V418 HydrophobicContact CB-CG1 4.02Å; L373-V418 HydrophobicContact CD2-CG1 4.05Å; L373-V418 HydrophobicContact CD2-CG2 4.03Å; L373-V418 HydrophobicContact CG-CG1 3.93Å; L373-V418 HydrophobicContact CG-CG2 4.36Å; M374-V418 HydrophobicContact CB-CG1 3.77Å; L377-V418 HydrophobicContact CD1-CB 4.38Å; L377-V418 HydrophobicContact CD1-CG2 3.87Å; L414-V418 WeakPolarHBondContact O-CB 3.41Å; L414-V418 VanDerWaalsContact O-CG2 3.29Å; L414-V418 WeakPolarHBondContact O-CG2 3.3Å; L414-V418 PolarHBondContact O-N 2.85Å; A415-V418 PolarHBondContact O-N 3.14Å; V418-L420 VanDerWaalsContact C-N 3.35Å; V418-L420 PolarHBondContact O-N 2.97Å; V418-N421 WeakPolarHBondContact O-CB 3.22Å; V418-N421 PolarHBondContact O-N 3.23Å; V418-A422 PolarHBondContact O-N 3.04Å; V418-A422 VanDerWaalsContact O-N 3.07Å |
| 419 | H | 97.5 | Very high | 95.7 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.1 | -37.1 | 176.7 | -164.9 | 72.8 | 0 | 0 | 0 | 112.7 | S287 M374 A415 A416 L417 N421 A422 I423 | S287-H419 PolarHBondContact O-NE2 2.83Å; M374-H419 HydrophobicContact CG-CB 4.04Å; A415-H419 VanDerWaalsContact O-CB 3.3Å; A415-H419 WeakPolarHBondContact O-CB 3.22Å; A415-H419 PolarHBondContact O-N 2.95Å; A416-H419 PolarHBondContact O-N 3.46Å; L417-H419 VanDerWaalsContact C-N 3.33Å; H419-N421 VanDerWaalsContact C-N 3.29Å; H419-N421 PolarHBondContact O-N 3.4Å; H419-A422 WeakPolarHBondContact O-CB 3.33Å; H419-A422 PolarHBondContact O-N 2.93Å; H419-A422 VanDerWaalsContact O-N 3.16Å; H419-I423 WeakPolarHBondContact CD2-CD1 3.24Å; H419-I423 WeakPolarHBondContact O-CG1 3.23Å; H419-I423 PolarHBondContact O-N 2.92Å |
| 420 | L | 96.8 | Very high | 95.2 | Very high | 19 Ų | 19 | 31.8 Ų | 31.8 | 10% | 0.099 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.5 | -45.2 | 172.9 | -177.2 | 57 | 0 | 0 | 0 | 110.8 | L221 F244 F245 A416 L417 V418 A422 I423 M424 | L221-L420 HydrophobicContact CD1-CD2 4.23Å; F244-L420 HydrophobicContact CD1-CD1 4.06Å; F244-L420 HydrophobicContact CE1-CB 3.85Å; F244-L420 HydrophobicContact CE1-CD1 3.93Å; F244-L420 HydrophobicContact CE1-CG 4.38Å; F245-L420 HydrophobicContact CE1-CD1 4.29Å; F245-L420 HydrophobicContact CE1-CD2 4Å; F245-L420 HydrophobicContact CE2-CD1 4.29Å; F245-L420 HydrophobicContact CZ-CD1 3.78Å; F245-L420 HydrophobicContact CZ-CD2 3.97Å; A416-L420 PolarHBondContact O-N 2.92Å; L417-L420 WeakPolarHBondContact O-CB 3.44Å; L417-L420 PolarHBondContact O-N 2.9Å; V418-L420 VanDerWaalsContact C-N 3.35Å; V418-L420 PolarHBondContact O-N 2.97Å; L420-A422 VanDerWaalsContact C-N 3.33Å; L420-A422 PolarHBondContact O-N 3.3Å; L420-I423 PolarHBondContact O-N 3.48Å; L420-M424 HydrophobicContact CD1-CG 4.22Å; L420-M424 HydrophobicContact CG-CG 4.43Å; L420-M424 VanDerWaalsContact O-CG 3.29Å; L420-M424 WeakPolarHBondContact O-CG 3.47Å; L420-M424 PolarHBondContact O-N 3.41Å |
| 421 | N | 95.3 | Very high | 94.7 | Very high | 74 Ų | 74 | 31.7 Ų | 31.7 | 40% | 0.396 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 175.8 | -74.2 | -84.9 | 0 | 0 | 0 | 111.3 | W370 L417 V418 H419 I423 M424 E425 | W370-N421 HydrophobicContact CD2-CB 4.04Å; W370-N421 HydrophobicContact CE3-CB 4.33Å; W370-N421 HydrophobicContact CG-CB 4.41Å; W370-N421 HydrophobicContact CZ2-CB 4.37Å; L417-N421 PolarHBondContact O-N 2.98Å; L417-N421 PolarHBondContact O-ND2 3.49Å; V418-N421 WeakPolarHBondContact O-CB 3.22Å; V418-N421 PolarHBondContact O-N 3.23Å; H419-N421 VanDerWaalsContact C-N 3.29Å; H419-N421 PolarHBondContact O-N 3.4Å; N421-I423 VanDerWaalsContact C-N 3.35Å; N421-I423 PolarHBondContact O-N 3.21Å; N421-M424 PolarHBondContact O-N 2.75Å; N421-E425 WeakPolarHBondContact O-CB 3.31Å; N421-E425 VanDerWaalsContact O-CG 3.23Å; N421-E425 WeakPolarHBondContact O-CG 3.42Å; N421-E425 PolarHBondContact O-N 2.89Å |
| 422 | A | 95 | Very high | 94.1 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.1 | -46.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W370 L371 V418 H419 L420 I426 | W370-A422 HydrophobicContact CB-CB 3.61Å; L371-A422 HydrophobicContact CD2-CB 4.06Å; L371-A422 HydrophobicContact CG-CB 4.18Å; V418-A422 PolarHBondContact O-N 3.04Å; V418-A422 VanDerWaalsContact O-N 3.07Å; H419-A422 WeakPolarHBondContact O-CB 3.33Å; H419-A422 PolarHBondContact O-N 2.93Å; H419-A422 VanDerWaalsContact O-N 3.16Å; L420-A422 VanDerWaalsContact C-N 3.33Å; L420-A422 PolarHBondContact O-N 3.3Å; A422-I426 VanDerWaalsContact O-CG2 3.31Å; A422-I426 WeakPolarHBondContact O-CG2 3.36Å; A422-I426 PolarHBondContact O-N 3.33Å |
| 423 | I | 94.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.2 | -45.1 | 177.1 | -69.3 | 163.3 | 0 | 0 | 0 | 110.8 | V241 F244 P290 Y294 H419 L420 N421 I426 A427 | V241-I423 HydrophobicContact CG2-CG2 4.17Å; F244-I423 HydrophobicContact CB-CD1 4.19Å; F244-I423 HydrophobicContact CD1-CD1 3.9Å; F244-I423 HydrophobicContact CD2-CD1 4.4Å; F244-I423 HydrophobicContact CE1-CD1 4.4Å; F244-I423 HydrophobicContact CG-CD1 3.89Å; P290-I423 HydrophobicContact CB-CD1 4.26Å; P290-I423 HydrophobicContact CB-CG1 4.37Å; P290-I423 HydrophobicContact CB-CG2 3.9Å; P290-I423 HydrophobicContact CG-CD1 3.51Å; P290-I423 HydrophobicContact CG-CG1 4.06Å; P290-I423 HydrophobicContact CG-CG2 4.33Å; Y294-I423 HydrophobicContact CD2-CG2 4.42Å; Y294-I423 HydrophobicContact CE2-CG2 4.25Å; H419-I423 WeakPolarHBondContact CD2-CD1 3.24Å; H419-I423 WeakPolarHBondContact O-CG1 3.23Å; H419-I423 PolarHBondContact O-N 2.92Å; L420-I423 PolarHBondContact O-N 3.48Å; N421-I423 VanDerWaalsContact C-N 3.35Å; N421-I423 PolarHBondContact O-N 3.21Å; I423-I426 VanDerWaalsContact O-CG2 3.27Å; I423-I426 WeakPolarHBondContact O-CG2 3.47Å; I423-A427 WeakPolarHBondContact O-CB 3.33Å; I423-A427 PolarHBondContact O-N 3.35Å |
| 424 | M | 93.1 | Very high | 92.5 | Very high | 38 Ų | 38 | 37 Ų | 37 | 19% | 0.187 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.4 | -42.6 | -177.8 | -68.5 | -51.9 | -57.9 | 0 | 0 | 111.9 | F225 L420 N421 A427 Q428 | F225-M424 HydrophobicContact CD2-SD 4.49Å; F225-M424 HydrophobicContact CE2-CE 3.98Å; F225-M424 HydrophobicContact CE2-SD 4.01Å; L420-M424 HydrophobicContact CD1-CG 4.22Å; L420-M424 HydrophobicContact CG-CG 4.43Å; L420-M424 VanDerWaalsContact O-CG 3.29Å; L420-M424 WeakPolarHBondContact O-CG 3.47Å; L420-M424 PolarHBondContact O-N 3.41Å; N421-M424 PolarHBondContact O-N 2.75Å; M424-A427 PolarHBondContact O-N 3.07Å; M424-Q428 WeakPolarHBondContact O-CB 3.41Å; M424-Q428 VanDerWaalsContact O-CG 3.23Å; M424-Q428 WeakPolarHBondContact O-CG 3.43Å; M424-Q428 PolarHBondContact O-N 3.2Å |
| 425 | E | 92.1 | Very high | 91.6 | Very high | 59 Ų | 59 | 35.8 Ų | 35.8 | 28% | 0.276 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.6 | -48.3 | 176.7 | -72.3 | -77.7 | 178.4 | 0 | 0 | 111.7 | H364 A367 N421 A427 Q428 H429 | H364-E425 IonicContact CE1-OE2 3.3Å; H364-E425 PolarHBondContact CE1-OE2 3.36Å; H364-E425 VanDerWaalsContact CE1-OE2 3.3Å; A367-E425 HydrophobicContact CB-CB 4.18Å; N421-E425 WeakPolarHBondContact O-CB 3.31Å; N421-E425 VanDerWaalsContact O-CG 3.23Å; N421-E425 WeakPolarHBondContact O-CG 3.42Å; N421-E425 PolarHBondContact O-N 2.89Å; E425-A427 PolarHBondContact O-N 2.92Å; E425-Q428 PolarHBondContact O-N 2.94Å; E425-H429 WeakPolarHBondContact O-CB 3.39Å; E425-H429 PolarHBondContact O-N 3.44Å |
| 426 | I | 91.5 | Very high | 90.9 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.6 | -36.7 | 179 | -163.1 | 173.3 | 0 | 0 | 0 | 111.8 | Y294 S295 A367 A422 I423 R430 | Y294-I426 HydrophobicContact CD2-CG2 4.24Å; Y294-I426 HydrophobicContact CG-CG2 4.31Å; S295-I426 WeakPolarHBondContact OG-CD1 3.41Å; A367-I426 HydrophobicContact CB-CB 4.16Å; A422-I426 VanDerWaalsContact O-CG2 3.31Å; A422-I426 WeakPolarHBondContact O-CG2 3.36Å; A422-I426 PolarHBondContact O-N 3.33Å; I423-I426 VanDerWaalsContact O-CG2 3.27Å; I423-I426 WeakPolarHBondContact O-CG2 3.47Å; I426-R430 WeakPolarHBondContact O-CB 3.39Å; I426-R430 PolarHBondContact O-N 2.94Å |
| 427 | A | 91.7 | Very high | 89.5 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.2 | -48 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y294 I423 M424 E425 R430 L431 | Y294-A427 HydrophobicContact CD1-CB 3.95Å; Y294-A427 HydrophobicContact CD2-CB 3.77Å; Y294-A427 HydrophobicContact CE1-CB 3.72Å; Y294-A427 HydrophobicContact CE2-CB 3.54Å; Y294-A427 HydrophobicContact CG-CB 4Å; I423-A427 WeakPolarHBondContact O-CB 3.33Å; I423-A427 PolarHBondContact O-N 3.35Å; M424-A427 PolarHBondContact O-N 3.07Å; E425-A427 PolarHBondContact O-N 2.92Å; A427-R430 PolarHBondContact O-N 3.37Å; A427-L431 VanDerWaalsContact O-CB 3.31Å; A427-L431 WeakPolarHBondContact O-CB 3.27Å; A427-L431 WeakPolarHBondContact O-CG 3.38Å; A427-L431 PolarHBondContact O-N 3.18Å |
| 428 | Q | 89.2 | Confident | 87.5 | Confident | 109 Ų | 109 | 50.5 Ų | 50.5 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 177.9 | -75.9 | 175 | -8.7 | 0 | 0 | 111.6 | M424 E425 R430 S432 | M424-Q428 WeakPolarHBondContact O-CB 3.41Å; M424-Q428 VanDerWaalsContact O-CG 3.23Å; M424-Q428 WeakPolarHBondContact O-CG 3.43Å; M424-Q428 PolarHBondContact O-N 3.2Å; E425-Q428 PolarHBondContact O-N 2.94Å; Q428-R430 VanDerWaalsContact C-N 3.34Å; Q428-R430 PolarHBondContact O-N 3.35Å; Q428-S432 WeakPolarHBondContact O-CB 3.26Å; Q428-S432 PolarHBondContact O-N 3.48Å; Q428-S432 PolarHBondContact O-OG 2.95Å |
| 429 | H | 88 | Confident | 85.5 | Confident | 44 Ų | 44 | 50.6 Ų | 50.6 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.3 | -39 | 176.5 | -179.7 | 69.2 | 0 | 0 | 0 | 112.8 | R362 H364 E425 S432 K433 | R362-H429 PolarHBondContact O-NE2 3Å; H364-H429 HydrophobicContact CB-CB 4.4Å; H364-H429 AromaticContact CD2-CE1 3.93Å; H364-H429 AromaticContact CD2-CG 3.77Å; H364-H429 AromaticContact CD2-ND1 3.6Å; E425-H429 WeakPolarHBondContact O-CB 3.39Å; E425-H429 PolarHBondContact O-N 3.44Å; H429-S432 PolarHBondContact O-OG 3.45Å; H429-K433 WeakPolarHBondContact NE2-CE 3.3Å; H429-K433 PolarHBondContact NE2-NZ 3Å; H429-K433 VanDerWaalsContact NE2-NZ 3.14Å |
| 430 | R | 88.2 | Confident | 83.3 | Confident | 15 Ų | 15 | 58.3 Ų | 58.3 | 6% | 0.057 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.4 | -45.8 | 179.5 | -176.3 | 55.5 | -95.1 | -174.1 | -10 | 111.7 | Y294 Y297 I426 A427 Q428 S432 K433 G434 | Y294-R430 HydrophobicContact CD1-CB 4.33Å; Y294-R430 HydrophobicContact CD1-CG 4.4Å; Y297-R430 HydrophobicContact CD1-CG 4.28Å; Y297-R430 HydrophobicContact CD2-CG 4.03Å; Y297-R430 HydrophobicContact CG-CG 3.76Å; I426-R430 WeakPolarHBondContact O-CB 3.39Å; I426-R430 PolarHBondContact O-N 2.94Å; A427-R430 PolarHBondContact O-N 3.37Å; Q428-R430 VanDerWaalsContact C-N 3.34Å; Q428-R430 PolarHBondContact O-N 3.35Å; R430-S432 VanDerWaalsContact C-N 3.3Å; R430-S432 PolarHBondContact O-N 2.88Å; R430-K433 VanDerWaalsContact NH2-CB 3.33Å; R430-K433 PolarHBondContact O-N 2.92Å; R430-G434 PolarHBondContact NH2-O 3.46Å |
| 431 | L | 88.1 | Confident | 82.6 | Confident | 59 Ų | 59 | 60.3 Ų | 60.3 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.4 | -27.7 | -177.2 | -65.9 | 174.8 | 0 | 0 | 0 | 112.1 | I233 E237 A427 K433 G434 | I233-L431 HydrophobicContact CG1-CD1 4.39Å; I233-L431 HydrophobicContact CG2-CD1 4.42Å; E237-L431 HydrophobicContact CG-CD2 4.21Å; A427-L431 VanDerWaalsContact O-CB 3.31Å; A427-L431 WeakPolarHBondContact O-CB 3.27Å; A427-L431 WeakPolarHBondContact O-CG 3.38Å; A427-L431 PolarHBondContact O-N 3.18Å; L431-K433 VanDerWaalsContact C-N 3.27Å; L431-K433 PolarHBondContact O-N 3.4Å; L431-G434 PolarHBondContact O-N 3.04Å |
| 432 | S | 86.6 | Confident | 82 | Confident | 95 Ų | 95 | 59.6 Ų | 59.6 | 66% | 0.664 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.8 | -24.8 | 174.9 | 71.4 | 0 | 0 | 0 | 0 | 113.7 | Q428 H429 R430 G434 | Q428-S432 WeakPolarHBondContact O-CB 3.26Å; Q428-S432 PolarHBondContact O-N 3.48Å; Q428-S432 PolarHBondContact O-OG 2.95Å; H429-S432 PolarHBondContact O-OG 3.45Å; R430-S432 VanDerWaalsContact C-N 3.3Å; R430-S432 PolarHBondContact O-N 2.88Å; S432-G434 VanDerWaalsContact C-N 3.32Å; S432-G434 PolarHBondContact O-N 3.07Å |
| 433 | K | 83.6 | Confident | 81.2 | Confident | 59 Ų | 59 | 62.8 Ų | 62.8 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -9.2 | 179.4 | -72.1 | 178.5 | 179.7 | 177.6 | 0 | 114.5 | R362 H429 R430 L431 | R362-K433 VanDerWaalsContact CB-NZ 3.33Å; R362-K433 VanDerWaalsContact CG-NZ 3.33Å; R362-K433 PolarHBondContact O-NZ 3.26Å; H429-K433 WeakPolarHBondContact NE2-CE 3.3Å; H429-K433 PolarHBondContact NE2-NZ 3Å; H429-K433 VanDerWaalsContact NE2-NZ 3.14Å; R430-K433 VanDerWaalsContact NH2-CB 3.33Å; R430-K433 PolarHBondContact O-N 2.92Å; L431-K433 VanDerWaalsContact C-N 3.27Å; L431-K433 PolarHBondContact O-N 3.4Å |
| 434 | G | 80.6 | Confident | 80.4 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 44% | 0.443 | 35% | 0.352 | S | S | . | . | trans | 74 | -157.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R430 L431 S432 | R430-G434 PolarHBondContact NH2-O 3.46Å; L431-G434 PolarHBondContact O-N 3.04Å; S432-G434 VanDerWaalsContact C-N 3.32Å; S432-G434 PolarHBondContact O-N 3.07Å | ||
| 435 | S | 79.5 | Confident | 79.6 | Confident | 53 Ų | 53 | 68.3 Ų | 68.3 | 37% | 0.371 | 36% | 0.363 | S | S | . | . | trans | -66.8 | 157.5 | -173.3 | 74.7 | 0 | 0 | 0 | 0 | 113 | D437 | S435-D437 WeakPolarHBondContact CB-OD2 3.45Å; S435-D437 PolarHBondContact O-N 2.99Å; S435-D437 PolarHBondContact OG-OD2 2.97Å | ||
| 436 | C | 83.5 | Confident | 78.8 | Confident | 31 Ų | 31 | 68.9 Ų | 68.9 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -73.1 | -11.2 | 179.9 | -66 | 0 | 0 | 0 | 0 | 113.8 | C298 Y438 Q439 | C298-C436 WeakPolarHBondContact CA-SG 3.24Å; C298-C436 HydrophobicContact CB-CB 3.63Å; C298-C436 WeakPolarHBondContact CB-SG 3.34Å; C298-C436 VanDerWaalsContact SG-CA 3.56Å; C298-C436 WeakPolarHBondContact SG-CB 3.26Å; C298-C436 CovalentContact SG-SG 2.04Å; C298-C436 PolarHBondContact SG-SG 3.42Å; C436-Y438 PolarHBondContact O-N 3.39Å; C436-Y438 VanDerWaalsContact O-N 3.1Å; C436-Q439 PolarHBondContact O-N 3.06Å |
| 437 | D | 69.2 | Low | 77.9 | Confident | 131 Ų | 131 | 73.5 Ų | 73.5 | 70% | 0.701 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -65.3 | -16.5 | -173.6 | -48.2 | -51.7 | 0 | 0 | 0 | 113.2 | S435 | S435-D437 WeakPolarHBondContact CB-OD2 3.45Å; S435-D437 PolarHBondContact O-N 2.99Å; S435-D437 PolarHBondContact OG-OD2 2.97Å |
| 438 | Y | 55.6 | Low | 76.9 | Confident | 197 Ų | 197 | 78.9 Ų | 78.9 | 77% | 0.773 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -98.4 | 7.3 | 177.3 | -62.9 | -78.5 | 0 | 0 | 0 | 113.6 | C436 | C436-Y438 PolarHBondContact O-N 3.39Å; C436-Y438 VanDerWaalsContact O-N 3.1Å |
| 439 | Q | 55.8 | Low | 75.8 | Confident | 21 Ų | 21 | 76.4 Ų | 76.4 | 10% | 0.098 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | -10.9 | -165.9 | -62.2 | -168.1 | -29.1 | 0 | 0 | 115.9 | C436 | C436-Q439 PolarHBondContact O-N 3.06Š|
| 440 | L | 51.2 | Low | 74.7 | Confident | 169 Ų | 169 | 79.4 Ų | 79.4 | 89% | 0.885 | 43% | 0.433 | S | S | * | . | trans | -108.3 | 0 | 163.8 | -68.9 | 168.5 | 0 | 0 | 0 | 108 | Y299 | Y299-L440 HydrophobicContact CD1-CD2 4.29Å; Y299-L440 HydrophobicContact CE1-CD2 3.69Å |
Retrieved 440 of 440 residues in 120.8 ms
(Link to these results)