| 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 | L | 31.8 | Very low | 30.8 | Very low | 226 Ų | 226 | 139.9 Ų | 139.9 | 100% | 1.183 | 82% | 0.815 | S | S | * | * | 0 | 75.4 | 0 | -71.6 | 157 | 0 | 0 | 0 | 106.6 | |||||
| 2 | A | 30.6 | Very low | 30.8 | Very low | 87 Ų | 87 | 146.7 Ų | 146.7 | 72% | 0.719 | 82% | 0.817 | S | S | * | * | 89.7 | 113.5 | 80.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 3 | L | 32.8 | Very low | 30.6 | Very low | 167 Ų | 167 | 147.3 Ų | 147.3 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | 86.5 | 83.1 | 147.8 | -57.7 | 168 | 0 | 0 | 0 | 120.2 | ||||
| 4 | N | 30.8 | Very low | 30.4 | Very low | 145 Ų | 145 | 143.9 Ų | 143.9 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | 36.1 | 152.9 | 94 | -145.1 | 10.1 | 0 | 0 | 0 | 122 | |||||
| 5 | T | 32.3 | Very low | 30.3 | Very low | 117 Ų | 117 | 148.4 Ų | 148.4 | 72% | 0.718 | 82% | 0.817 | S | S | * | * | trans | 103.9 | 135.8 | 162 | 73 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 6 | S | 30.7 | Very low | 30.3 | Very low | 112 Ų | 112 | 147.5 Ų | 147.5 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | cis | -166.2 | 150.4 | -10.7 | -86.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 7 | S | 30.4 | Very low | 30.3 | Very low | 99 Ų | 99 | 151.1 Ų | 151.1 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | trans | -39 | 152.2 | 162.1 | -175.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 8 | L | 31 | Very low | 30.2 | Very low | 145 Ų | 145 | 147.7 Ų | 147.7 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | 163 | 136.9 | 109.1 | -86 | 165.9 | 0 | 0 | 0 | 114.8 | |||||
| 9 | T | 32.2 | Very low | 30.1 | Very low | 123 Ų | 123 | 146.4 Ų | 146.4 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | 66.3 | 115.5 | 139 | 59.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 10 | G | 28.7 | Very low | 30.1 | Very low | 78 Ų | 78 | 144.5 Ų | 144.5 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | 84.6 | 136.5 | 77.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 11 | R | 27.3 | Very low | 30.1 | Very low | 240 Ų | 240 | 141.7 Ų | 141.7 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | trans | 100.2 | 114.2 | 156.7 | -107.9 | 179.2 | 174.6 | 141.9 | -2.3 | 119.9 | ||||
| 12 | R | 30.7 | Very low | 29.8 | Very low | 221 Ų | 221 | 140.3 Ų | 140.3 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | 7.4 | 134.7 | 129.5 | -75.5 | 172.3 | 160.5 | 149.9 | -6.2 | 116.5 | |||||
| 13 | D | 28.3 | Very low | 29.6 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | -167.8 | 149 | 103.1 | -90.6 | -31.5 | 0 | 0 | 0 | 113.5 | |||||
| 14 | S | 28.6 | Very low | 30.4 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | -63.4 | 150.7 | 168.6 | -171.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 15 | F | 28.2 | Very low | 30.3 | Very low | 212 Ų | 212 | 137 Ų | 137 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | trans | -167.2 | 148 | 133 | -107.4 | -74.2 | 0 | 0 | 0 | 112.5 | ||||
| 16 | D | 29.8 | Very low | 30.2 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | -97.8 | 177.2 | -166.1 | -163.5 | 2.9 | 0 | 0 | 0 | 111.1 | ||||
| 17 | R | 30.4 | Very low | 30.1 | Very low | 208 Ų | 208 | 139.4 Ų | 139.4 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 89.9 | 105.1 | 153.8 | -79.1 | -174.8 | 178.7 | -165.6 | -2.9 | 122.6 | ||||
| 18 | S | 28.3 | Very low | 30 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | 56.7 | 153.8 | 105.3 | 73.2 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 19 | T | 29.2 | Very low | 29.9 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | trans | 87.5 | 104.5 | 162 | 57.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 20 | S | 30.9 | Very low | 29.8 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | 81 | 122.9 | 64.9 | 73 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 21 | A | 29.1 | Very low | 29.9 | Very low | 86 Ų | 86 | 144.5 Ų | 144.5 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | 135.2 | 122.4 | 130 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 22 | F | 25.4 | Very low | 30.1 | Very low | 196 Ų | 196 | 139.2 Ų | 139.2 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | 58.4 | 104.8 | 133.9 | -84.5 | -97.7 | 0 | 0 | 0 | 121.9 | ||||
| 23 | S | 25.9 | Very low | 30.1 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | 40.1 | 173.8 | 112.2 | -51.6 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 24 | P | 49.7 | Very low | 30.1 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | -131.3 | -179.1 | -60.4 | 38.5 | -22.5 | 0 | 0 | 0 | 110.7 | |||||
| 25 | S | 28.4 | Very low | 30.2 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | 160.4 | 149.3 | 153.5 | -78.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 26 | T | 31.2 | Very low | 30.4 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | cis | 178.8 | 143.2 | -15.4 | 29.3 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 27 | M | 29.6 | Very low | 30.3 | Very low | 167 Ų | 167 | 124.4 Ų | 124.4 | 82% | 0.823 | 77% | 0.768 | S | S | * | * | trans | 60.7 | 141.5 | 145.4 | -77.5 | -177.6 | 161.4 | 0 | 0 | 118.9 | ||||
| 28 | D | 27.9 | Very low | 30.3 | Very low | 119 Ų | 119 | 118.5 Ų | 118.5 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | cis | -162.1 | 151.2 | 27 | -108.5 | -31.2 | 0 | 0 | 0 | 112.7 | ||||
| 29 | Y | 28.6 | Very low | 30.5 | Very low | 197 Ų | 197 | 122 Ų | 122 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | 14.9 | 128.6 | 139.8 | -88.2 | -95.2 | 0 | 0 | 0 | 121.3 | ||||
| 30 | T | 29.2 | Very low | 30.6 | Very low | 135 Ų | 135 | 120.2 Ų | 120.2 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | 176.9 | 146.4 | 92 | 30.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 31 | S | 31.1 | Very low | 30.7 | Very low | 101 Ų | 101 | 121.3 Ų | 121.3 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -85 | 175.9 | -178.8 | 49.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 32 | S | 31.8 | Very low | 30.8 | Very low | 128 Ų | 128 | 124.1 Ų | 124.1 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | 93.9 | 136.8 | 163.9 | 73.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 33 | G | 29.8 | Very low | 31 | Very low | 64 Ų | 64 | 118.7 Ų | 118.7 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | cis | 166.5 | 147.7 | 0.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 34 | V | 29.9 | Very low | 31.3 | Very low | 145 Ų | 145 | 119.7 Ų | 119.7 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | 68.5 | 119.8 | 139.2 | -155.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 35 | A | 30.1 | Very low | 30.3 | Very low | 89 Ų | 89 | 120.5 Ų | 120.5 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | 73.8 | 117.8 | 138.6 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 36 | A | 31.4 | Very low | 30.3 | Very low | 102 Ų | 102 | 119.4 Ų | 119.4 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | 49.4 | 121.9 | 119.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 37 | A | 29 | Very low | 30.1 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | trans | -154.6 | 140.8 | 140.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 38 | A | 30.3 | Very low | 30 | Very low | 85 Ų | 85 | 120.2 Ų | 120.2 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | trans | -106.1 | 168 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 39 | N | 32.6 | Very low | 29.9 | Very low | 162 Ų | 162 | 119.4 Ų | 119.4 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | 73 | 120.3 | 153.9 | -72.8 | -10.5 | 0 | 0 | 0 | 121 | ||||
| 40 | A | 30 | Very low | 29.9 | Very low | 87 Ų | 87 | 115.1 Ų | 115.1 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | 157 | 121.5 | 102.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 41 | V | 33.3 | Very low | 29.8 | Very low | 131 Ų | 131 | 113.7 Ų | 113.7 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | 71 | 128.5 | 107.9 | -178 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 42 | N | 31.1 | Very low | 29.6 | Very low | 145 Ų | 145 | 113.9 Ų | 113.9 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | cis | -163 | 165 | 25.5 | -139.4 | 3.3 | 0 | 0 | 0 | 113.2 | ||||
| 43 | S | 30.3 | Very low | 29.4 | Very low | 83 Ų | 83 | 112.7 Ų | 112.7 | 58% | 0.58 | 80% | 0.801 | S | S | * | * | trans | -21.5 | 148.3 | 158.5 | 57.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 44 | T | 31.3 | Very low | 29.4 | Very low | 125 Ų | 125 | 114.7 Ų | 114.7 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | -175.4 | 146.9 | 69.8 | 41.6 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 45 | V | 29.8 | Very low | 29.3 | Very low | 133 Ų | 133 | 112.2 Ų | 112.2 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | -173.5 | 143.1 | 72.6 | 166.8 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 46 | A | 27.3 | Very low | 29.2 | Very low | 85 Ų | 85 | 112.6 Ų | 112.6 | 70% | 0.702 | 81% | 0.809 | S | S | * | * | trans | -97.6 | 145 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 47 | Q | 28 | Very low | 29.1 | Very low | 195 Ų | 195 | 112.8 Ų | 112.8 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | 165 | 136.3 | 151.9 | -95.9 | 163.5 | -6.2 | 0 | 0 | 106.9 | ||||
| 48 | A | 26.8 | Very low | 29.1 | Very low | 103 Ų | 103 | 111.4 Ų | 111.4 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | cis | -157.6 | 152.4 | 28.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 49 | A | 26.4 | Very low | 29.1 | Very low | 102 Ų | 102 | 119.5 Ų | 119.5 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | -129.9 | 151.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 50 | A | 27.8 | Very low | 28.8 | Very low | 108 Ų | 108 | 115.5 Ų | 115.5 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | 92.6 | 113.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 51 | A | 28.4 | Very low | 28.7 | Very low | 105 Ų | 105 | 121.2 Ų | 121.2 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | -166.6 | 139 | 138.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 52 | A | 26.3 | Very low | 28.3 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | cis | -164.9 | 158.5 | -9.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 53 | A | 27.4 | Very low | 28.7 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | -115.3 | 145.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 54 | A | 30.1 | Very low | 28.6 | Very low | 106 Ų | 106 | 125 Ų | 125 | 88% | 0.876 | 83% | 0.833 | S | S | * | * | trans | 160.9 | 144.4 | 152.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 55 | A | 26.8 | Very low | 28.4 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | cis | -153.7 | 135.1 | 32.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 56 | A | 28.9 | Very low | 28.2 | Very low | 96 Ų | 96 | 125.7 Ų | 125.7 | 79% | 0.793 | 84% | 0.836 | S | S | * | * | 90.7 | 118.2 | 72.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 57 | A | 28.6 | Very low | 28.2 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 88% | 0.876 | 84% | 0.839 | S | S | * | * | trans | 65.2 | 150.3 | 141.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 58 | A | 29.2 | Very low | 28.1 | Very low | 82 Ų | 82 | 120.8 Ų | 120.8 | 68% | 0.678 | 83% | 0.83 | S | S | * | * | cis | -167.3 | 163.6 | 14.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 59 | R | 30.1 | Very low | 28.1 | Very low | 254 Ų | 254 | 120.9 Ų | 120.9 | 96% | 0.958 | 83% | 0.83 | S | S | * | * | trans | 65.5 | 143.2 | 151.5 | -68.3 | 173.1 | 167.7 | -138.9 | -1.7 | 117.7 | ||||
| 60 | G | 26.3 | Very low | 28.1 | Very low | 78 Ų | 78 | 120.2 Ų | 120.2 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | cis | -166.5 | -175.2 | 15.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 61 | K | 29.3 | Very low | 28.1 | Very low | 207 Ų | 207 | 121.2 Ų | 121.2 | 90% | 0.9 | 83% | 0.826 | S | S | * | * | trans | -71.1 | 153 | -169.3 | -70.2 | 170 | 168.4 | -175.9 | 0 | 115.3 | ||||
| 62 | W | 23.4 | Very low | 28 | Very low | 246 Ų | 246 | 119.6 Ų | 119.6 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | trans | 8.1 | 163.1 | 146.8 | -81.5 | 23.2 | 0 | 0 | 0 | 121.6 | ||||
| 63 | P | 40.2 | Very low | 28.2 | Very low | 116 Ų | 116 | 118.4 Ų | 118.4 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | cis | -139.8 | 177.8 | 22.4 | 34.3 | -11.5 | 0 | 0 | 0 | 116.4 | ||||
| 64 | G | 28.2 | Very low | 28.2 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | -79.2 | 167.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 65 | A | 27.1 | Very low | 28 | Very low | 93 Ų | 93 | 122.8 Ų | 122.8 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -164.2 | 138.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 66 | M | 25.6 | Very low | 28 | Very low | 180 Ų | 180 | 122.8 Ų | 122.8 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | 25 | 140.6 | 135.3 | -76.3 | 159.5 | 79.6 | 0 | 0 | 117.6 | ||||
| 67 | S | 27.8 | Very low | 28 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | cis | 171 | 174.3 | 20.8 | 51 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 68 | G | 26 | Very low | 27.8 | Very low | 70 Ų | 70 | 125.6 Ų | 125.6 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | 95.6 | 93.1 | 139.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 69 | A | 25.9 | Very low | 27.7 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | 17.2 | 131.3 | 130.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 70 | A | 27.1 | Very low | 27.6 | Very low | 88 Ų | 88 | 118.2 Ų | 118.2 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | 145.5 | 122.7 | 115.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 71 | S | 28.2 | Very low | 27.7 | Very low | 130 Ų | 130 | 122.6 Ų | 122.6 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | 46.8 | 129.5 | 131.2 | -44.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 72 | G | 26.6 | Very low | 27.6 | Very low | 70 Ų | 70 | 117.8 Ų | 117.8 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | cis | 159.6 | 157.8 | 10.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 73 | A | 28.8 | Very low | 27.7 | Very low | 81 Ų | 81 | 112.2 Ų | 112.2 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | trans | 65.8 | 138.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 74 | Y | 27.6 | Very low | 27.1 | Very low | 229 Ų | 229 | 111.2 Ų | 111.2 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | cis | -159.1 | 159.8 | 32.7 | -77.7 | -93.2 | 0 | 0 | 0 | 109.8 | ||||
| 75 | G | 26.5 | Very low | 27.1 | Very low | 72 Ų | 72 | 113.3 Ų | 113.3 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | 92.1 | 102.5 | 132.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 76 | A | 27.1 | Very low | 27.6 | Very low | 93 Ų | 93 | 114 Ų | 114 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | 64.2 | 124.7 | 124.1 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 77 | L | 28.2 | Very low | 27.7 | Very low | 182 Ų | 182 | 113.8 Ų | 113.8 | 95% | 0.953 | 82% | 0.816 | S | S | * | * | trans | 71 | 127.9 | 139.6 | -63.1 | 165.9 | 0 | 0 | 0 | 120.1 | ||||
| 78 | G | 25.4 | Very low | 27.6 | Very low | 78 Ų | 78 | 112.7 Ų | 112.7 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | 174.9 | 82 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 79 | A | 27.1 | Very low | 27.8 | Very low | 98 Ų | 98 | 114 Ų | 114 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | trans | 9.8 | 124.1 | 153.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 80 | G | 27.4 | Very low | 28 | Very low | 84 Ų | 84 | 115 Ų | 115 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | -95 | 119.7 | 155.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 81 | N | 27.3 | Very low | 28.1 | Very low | 170 Ų | 170 | 118.1 Ų | 118.1 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | trans | -85.7 | 128.1 | 171.7 | -109.4 | 16.8 | 0 | 0 | 0 | 109.8 | ||||
| 82 | A | 28.3 | Very low | 28.5 | Very low | 106 Ų | 106 | 118.3 Ų | 118.3 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | trans | -122.7 | 125.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 83 | S | 25.4 | Very low | 28.9 | Very low | 128 Ų | 128 | 120.4 Ų | 120.4 | 90% | 0.895 | 82% | 0.823 | S | S | * | * | trans | -112.6 | 149.1 | 173.3 | 52.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 84 | A | 28.5 | Very low | 29 | Very low | 95 Ų | 95 | 122.4 Ų | 122.4 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | -100.9 | 169.1 | -156.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 85 | S | 28.2 | Very low | 29.3 | Very low | 120 Ų | 120 | 117.4 Ų | 117.4 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | trans | -159.4 | 158.7 | 150.4 | -86.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 86 | P | 36 | Very low | 29.5 | Very low | 109 Ų | 109 | 119.3 Ų | 119.3 | 71% | 0.708 | 83% | 0.827 | S | S | * | * | trans | -126.4 | 179.6 | -131.8 | 40.5 | -26.1 | 0 | 0 | 0 | 116.6 | ||||
| 87 | L | 27.5 | Very low | 29.6 | Very low | 175 Ų | 175 | 119.7 Ų | 119.7 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | 100.6 | 118.2 | 155.5 | -65.3 | 160.8 | 0 | 0 | 0 | 120 | ||||
| 88 | G | 26.1 | Very low | 29.6 | Very low | 84 Ų | 84 | 120.2 Ų | 120.2 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | trans | 112.9 | 102.6 | 133.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 89 | A | 30.1 | Very low | 29.6 | Very low | 98 Ų | 98 | 122 Ų | 122 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | trans | -109.5 | 162.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 90 | P | 29.8 | Very low | 29.6 | Very low | 125 Ų | 125 | 122.7 Ų | 122.7 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | -124.8 | 121.9 | 143.4 | 32.2 | -18.1 | 0 | 0 | 0 | 114.1 | ||||
| 91 | I | 29.2 | Very low | 29.6 | Very low | 153 Ų | 153 | 126.8 Ų | 126.8 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | 11.1 | 127.6 | 140.8 | -42.9 | -179.2 | 0 | 0 | 0 | 121 | ||||
| 92 | T | 37 | Very low | 29.5 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 83% | 0.828 | 83% | 0.828 | S | S | * | * | trans | 95.7 | 141.2 | 157.9 | 54.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 93 | P | 36 | Very low | 29.5 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 74% | 0.74 | 82% | 0.822 | S | S | * | * | trans | -120.7 | 162.6 | -142.1 | 40.2 | -26.4 | 0 | 0 | 0 | 116 | ||||
| 94 | P | 30.1 | Very low | 29.7 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | trans | -96.3 | 156.3 | 161 | 35.8 | -28.5 | 0 | 0 | 0 | 112.4 | ||||
| 95 | P | 34.6 | Very low | 29.6 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | trans | -91.7 | 141.1 | -169.8 | 35.1 | -33.7 | 0 | 0 | 0 | 115.5 | ||||
| 96 | S | 30.4 | Very low | 29.6 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | 57.7 | 93.7 | 141.9 | 55.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 97 | A | 28.5 | Very low | 29.3 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 83% | 0.826 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 140.4 | 146.7 | 0 | 0 | 0 | 0 | 0 | 111 | S99 | A97-S99 PolarHBondContact O-N 3.13Š|
| 98 | Q | 28.3 | Very low | 29.6 | Very low | 194 Ų | 194 | 128.8 Ų | 128.8 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 121.3 | 174.2 | -71 | 166.2 | -24.9 | 0 | 0 | 110.2 | ||
| 99 | S | 26.1 | Very low | 29.9 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 125.5 | 173.7 | -166.7 | 0 | 0 | 0 | 0 | 110.5 | A97 | A97-S99 PolarHBondContact O-N 3.13Š|
| 100 | C | 27.7 | Very low | 30.1 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 77% | 0.77 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -64 | 127.9 | 174 | -27.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 101 | L | 26.1 | Very low | 30.5 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 89% | 0.885 | 83% | 0.826 | S | S | * | * | trans | -126.6 | 113 | 160.8 | -79.2 | 174.2 | 0 | 0 | 0 | 109.5 | ||||
| 102 | L | 26.7 | Very low | 30.9 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 95% | 0.953 | 83% | 0.83 | S | S | * | * | trans | -60.2 | 128.7 | 164.1 | -81.2 | 129.3 | 0 | 0 | 0 | 109.8 | ||||
| 103 | G | 26.6 | Very low | 31 | Very low | 72 Ų | 72 | 138.3 Ų | 138.3 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | trans | -149.8 | 104.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | R105 | G103-R105 PolarHBondContact O-N 3.44Š| ||
| 104 | S | 29.9 | Very low | 31.1 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 89% | 0.888 | 84% | 0.835 | S | S | * | * | trans | -57.4 | 126 | 176.9 | -51.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 105 | R | 27.5 | Very low | 31.5 | Very low | 253 Ų | 253 | 145.1 Ų | 145.1 | 96% | 0.955 | 83% | 0.832 | S | S | * | * | trans | -149 | 136.6 | 163.5 | -118.1 | 176.3 | 170.8 | 176.8 | -4.1 | 111.1 | G103 | G103-R105 PolarHBondContact O-N 3.44Š| ||
| 106 | A | 28.2 | Very low | 31.8 | Very low | 95 Ų | 95 | 147.4 Ų | 147.4 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | -70.5 | 159.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 107 | P | 30 | Very low | 32.2 | Very low | 136 Ų | 136 | 150.8 Ų | 150.8 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | trans | -95 | 142.4 | -173.8 | 34.8 | -29.6 | 0 | 0 | 0 | 113.9 | ||||
| 108 | G | 32 | Very low | 32.6 | Very low | 80 Ų | 80 | 154.4 Ų | 154.4 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | 130.5 | 97.8 | 155 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 109 | A | 34.2 | Very low | 33.1 | Very low | 95 Ų | 95 | 153.3 Ų | 153.3 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | trans | 170.6 | 63.8 | 142.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 110 | E | 33 | Very low | 33.6 | Very low | 188 Ų | 188 | 156.5 Ų | 156.5 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | trans | -143.4 | 17.9 | 168.4 | -75.3 | -164.9 | 158.6 | 0 | 0 | 114.7 | ||||
| 111 | S | 37.9 | Very low | 33.9 | Very low | 103 Ų | 103 | 160 Ų | 160 | 72% | 0.72 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -104.2 | 25.2 | -173.7 | 45 | 0 | 0 | 0 | 0 | 115.6 | ||
| 112 | R | 39 | Very low | 34.1 | Very low | 229 Ų | 229 | 156.9 Ų | 156.9 | 86% | 0.864 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -115.1 | -14.5 | 174.1 | -76.7 | -172.5 | -172.7 | 179.5 | 3.3 | 116.1 | ||
| 113 | Q | 38.5 | Very low | 34.2 | Very low | 180 Ų | 180 | 152.9 Ų | 152.9 | 84% | 0.841 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -94.6 | -18.1 | -177 | -150.9 | 164.2 | -11.5 | 0 | 0 | 113.4 | ||
| 114 | R | 37.5 | Very low | 34.5 | Very low | 222 Ų | 222 | 156.6 Ų | 156.6 | 84% | 0.838 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -87 | -13.4 | -180 | -126.8 | -166.1 | -87.8 | -172.8 | -5.1 | 114.6 | ||
| 115 | Q | 39.2 | Very low | 34.5 | Very low | 157 Ų | 157 | 154.1 Ų | 154.1 | 73% | 0.734 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -91.8 | -12.4 | -175.2 | -157.2 | 168 | 2 | 0 | 0 | 113.8 | ||
| 116 | Q | 41.5 | Very low | 34.6 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 81% | 0.808 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -91.2 | -12.3 | 178.4 | -95.3 | 178.4 | -12.9 | 0 | 0 | 114.8 | ||
| 117 | Q | 37.1 | Very low | 34.9 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 86% | 0.855 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -97.7 | -1.5 | -178 | -155.4 | 167.6 | 26.6 | 0 | 0 | 114 | ||
| 118 | Q | 37.3 | Very low | 35.2 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -106 | 10.1 | -177.8 | -148.8 | 160.6 | 15.6 | 0 | 0 | 114 | ||
| 119 | Q | 39.3 | Very low | 35.2 | Very low | 172 Ų | 172 | 152.5 Ų | 152.5 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -118.1 | 70.3 | 171.2 | -82.4 | 179.4 | -10.9 | 0 | 0 | 110.8 | ||||
| 120 | Q | 37.1 | Very low | 34.8 | Very low | 181 Ų | 181 | 152.7 Ų | 152.7 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -165.7 | 91.2 | 154.3 | -111.5 | 165.4 | 24.6 | 0 | 0 | 108.3 | ||
| 121 | L | 32.7 | Very low | 34.9 | Very low | 186 Ų | 186 | 148.7 Ų | 148.7 | 97% | 0.974 | 83% | 0.831 | S | S | * | * | trans | 159.7 | 75.8 | 151.3 | -86 | 155.7 | 0 | 0 | 0 | 108.6 | ||||
| 122 | A | 30.1 | Very low | 34.9 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | trans | -149.1 | 100.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 123 | A | 30.4 | Very low | 34.6 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | trans | -151.1 | 127.5 | 159 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 124 | V | 32.7 | Very low | 34.2 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | trans | 106.5 | 98.9 | 159.2 | -167.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 125 | G | 28.9 | Very low | 33.8 | Very low | 76 Ų | 76 | 137.7 Ų | 137.7 | 78% | 0.784 | 84% | 0.841 | S | S | * | * | 99 | 106.5 | 124.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 126 | L | 29.7 | Very low | 33.6 | Very low | 173 Ų | 173 | 134.2 Ų | 134.2 | 91% | 0.906 | 84% | 0.839 | S | S | * | * | trans | -64.7 | 174.7 | 168.6 | -77.7 | 155.3 | 0 | 0 | 0 | 114 | ||||
| 127 | P | 34.5 | Very low | 33.3 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 81% | 0.812 | 84% | 0.843 | S | S | * | * | cis | -136.8 | -178.9 | 14.2 | 36.2 | -13.5 | 0 | 0 | 0 | 117.3 | ||||
| 128 | A | 37.7 | Very low | 32.9 | Very low | 84 Ų | 84 | 129.4 Ų | 129.4 | 69% | 0.694 | 84% | 0.844 | S | S | * | * | trans | -80.4 | 147.1 | -172 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 129 | T | 30.4 | Very low | 32.6 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | trans | 178.4 | 151.5 | 131.8 | 33.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 130 | A | 26.3 | Very low | 32.2 | Very low | 99 Ų | 99 | 123 Ų | 123 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | trans | 77 | 78.8 | 175 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 131 | A | 34.9 | Very low | 31.8 | Very low | 104 Ų | 104 | 118.4 Ų | 118.4 | 86% | 0.86 | 84% | 0.844 | S | S | * | * | trans | -67.8 | 144.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 132 | A | 38.7 | Very low | 31.7 | Very low | 104 Ų | 104 | 117.4 Ų | 117.4 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | trans | 86.4 | 78.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 133 | A | 32.2 | Very low | 31.7 | Very low | 90 Ų | 90 | 120.6 Ų | 120.6 | 74% | 0.744 | 84% | 0.842 | S | S | * | * | trans | 177.1 | 103.5 | 135.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 134 | Q | 30.7 | Very low | 31.5 | Very low | 197 Ų | 197 | 124.7 Ų | 124.7 | 92% | 0.921 | 85% | 0.846 | S | S | * | * | trans | 154.5 | 84.6 | 149.8 | -90.6 | 161.1 | -28.6 | 0 | 0 | 110.8 | ||||
| 135 | A | 28.7 | Very low | 31.1 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 93% | 0.934 | 85% | 0.847 | S | S | * | * | trans | -139.5 | 44.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 136 | A | 35.6 | Very low | 30.8 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 69% | 0.694 | 84% | 0.839 | S | S | * | * | trans | -128.1 | 141.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 137 | V | 34.2 | Very low | 30.7 | Very low | 149 Ų | 149 | 124.1 Ų | 124.1 | 90% | 0.903 | 84% | 0.835 | S | S | * | * | S | Bend | trans | 102.1 | 32.6 | 179.5 | -162.6 | 0 | 0 | 0 | 0 | 117 | ||
| 138 | A | 29.6 | Very low | 30.2 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 88% | 0.876 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -143.4 | 36.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 139 | A | 31.3 | Very low | 29.6 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 88% | 0.876 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -141.6 | 38.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 140 | A | 30.3 | Very low | 29.7 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 88% | 0.876 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -131.4 | 16.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 141 | A | 29.2 | Very low | 29.7 | Very low | 86 Ų | 86 | 129.4 Ų | 129.4 | 71% | 0.711 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -143.4 | 85.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 142 | N | 29 | Very low | 29.3 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 88% | 0.877 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -177.1 | 46.8 | 151.4 | -96.3 | -5.1 | 0 | 0 | 0 | 112.5 | ||
| 143 | N | 31.5 | Very low | 28.6 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 92% | 0.92 | 84% | 0.842 | S | S | * | * | trans | -139.7 | 71.1 | 165 | -99.4 | -14.2 | 0 | 0 | 0 | 109.9 | ||||
| 144 | M | 25.9 | Very low | 28.4 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 90% | 0.901 | 85% | 0.846 | S | S | * | * | trans | -167 | 99.2 | 162.6 | -121.7 | 179.8 | 169.8 | 0 | 0 | 110.4 | ||||
| 145 | F | 24.3 | Very low | 29.2 | Very low | 211 Ų | 211 | 133 Ų | 133 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | trans | 161.9 | 141.3 | 130.6 | -122.6 | -99.7 | 0 | 0 | 0 | 110.7 | ||||
| 146 | G | 21.9 | Very low | 29 | Very low | 60 Ų | 60 | 135.9 Ų | 135.9 | 62% | 0.619 | 83% | 0.831 | S | S | * | * | trans | -103.3 | 172.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 147 | S | 27.6 | Very low | 29 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | 73.7 | 129.2 | 143.1 | -54.3 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 148 | N | 24.9 | Very low | 28.9 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | trans | 70.3 | 121.8 | 142.9 | -70.8 | 2.5 | 0 | 0 | 0 | 122.6 | ||||
| 149 | S | 25.5 | Very low | 29 | Very low | 125 Ų | 125 | 138 Ų | 138 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | 177 | 147.6 | 107.3 | 35.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 150 | S | 30.4 | Very low | 29.1 | Very low | 114 Ų | 114 | 135 Ų | 135 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -104 | 130.4 | 177.7 | 28.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 151 | I | 28.1 | Very low | 29.4 | Very low | 172 Ų | 172 | 136 Ų | 136 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -145.9 | 138 | 159.5 | -62.2 | -173.8 | 0 | 0 | 0 | 110.1 | ||||
| 152 | F | 26.1 | Very low | 29.8 | Very low | 196 Ų | 196 | 135.7 Ų | 135.7 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -56.1 | 144.9 | -176.3 | -87.6 | -105.9 | 0 | 0 | 0 | 117.2 | ||||
| 153 | S | 24.5 | Very low | 30.1 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | 165.5 | 130.7 | 116.7 | -70 | 0 | 0 | 0 | 0 | 112 | |||||
| 154 | N | 27 | Very low | 30.5 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -86.1 | 178.5 | 174.8 | -149.6 | 33.3 | 0 | 0 | 0 | 110.2 | ||||
| 155 | P | 47.1 | Very low | 31.2 | Very low | 97 Ų | 97 | 122.6 Ų | 122.6 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | cis | -121.9 | 157.9 | -43.1 | 26.2 | -8.4 | 0 | 0 | 0 | 112 | ||||
| 156 | L | 25.5 | Very low | 31.9 | Very low | 175 Ų | 175 | 115.4 Ų | 115.4 | 92% | 0.916 | 74% | 0.738 | S | S | * | * | trans | -156.2 | 132.3 | 150.6 | -106.3 | 160.8 | 0 | 0 | 0 | 110.5 | ||||
| 157 | A | 35.3 | Very low | 32.6 | Very low | 98 Ų | 98 | 115.3 Ų | 115.3 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | trans | -67.5 | 126.2 | -173 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 158 | I | 31.2 | Very low | 33.2 | Very low | 152 Ų | 152 | 112.7 Ų | 112.7 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | trans | -141.6 | 131.7 | 158.2 | -57 | -176.6 | 0 | 0 | 0 | 108.8 | ||||
| 159 | P | 31.9 | Very low | 33.9 | Very low | 132 Ų | 132 | 108.3 Ų | 108.3 | 86% | 0.857 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -76.9 | 126.5 | -177.9 | 30.6 | -32.3 | 0 | 0 | 0 | 110.9 | ||
| 160 | G | 34.7 | Very low | 34.5 | Very low | 45 Ų | 45 | 105.1 Ų | 105.1 | 46% | 0.464 | 68% | 0.684 | S | S | . | * | trans | 173.6 | -1.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | A162 A163 | G160-A162 PolarHBondContact O-N 3.36Å; G160-A162 VanDerWaalsContact O-N 3.15Å; G160-A163 PolarHBondContact O-N 3.19Å; G160-A163 VanDerWaalsContact O-N 3.13Å | ||
| 161 | T | 36.6 | Very low | 34.8 | Very low | 126 Ų | 126 | 102.4 Ų | 102.4 | 77% | 0.773 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -69.6 | -13.2 | -172.4 | 51.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 162 | A | 37.8 | Very low | 35.3 | Very low | 80 Ų | 80 | 97 Ų | 97 | 66% | 0.661 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -73.1 | -30.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | G160 A166 | G160-A162 PolarHBondContact O-N 3.36Å; G160-A162 VanDerWaalsContact O-N 3.15Å; A162-A166 WeakPolarHBondContact O-CB 3.47Å; A162-A166 PolarHBondContact O-N 3.04Å; A162-A166 VanDerWaalsContact O-N 3.12Å |
| 163 | A | 35.3 | Very low | 35.9 | Very low | 68 Ų | 68 | 89.7 Ų | 89.7 | 56% | 0.562 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -76.3 | -35.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G160 A167 | G160-A163 PolarHBondContact O-N 3.19Å; G160-A163 VanDerWaalsContact O-N 3.13Å; A163-A167 WeakPolarHBondContact O-CB 3.42Å; A163-A167 PolarHBondContact O-N 2.87Å |
| 164 | V | 39.7 | Very low | 36.6 | Very low | 109 Ų | 109 | 86.1 Ų | 86.1 | 66% | 0.661 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -74.5 | -39.1 | -178.9 | -173.7 | 0 | 0 | 0 | 0 | 111.3 | A167 A168 | V164-A167 PolarHBondContact O-N 3.38Å; V164-A168 WeakPolarHBondContact O-CB 3.48Å; V164-A168 PolarHBondContact O-N 3.28Å |
| 165 | A | 40 | Very low | 37.3 | Very low | 66 Ų | 66 | 83.8 Ų | 83.8 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.4 | -38 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A169 | A165-A169 WeakPolarHBondContact O-CB 3.38Å; A165-A169 PolarHBondContact O-N 2.89Å |
| 166 | A | 39.3 | Very low | 37 | Very low | 60 Ų | 60 | 83 Ų | 83 | 50% | 0.496 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.3 | -37.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A162 A170 | A162-A166 WeakPolarHBondContact O-CB 3.47Å; A162-A166 PolarHBondContact O-N 3.04Å; A162-A166 VanDerWaalsContact O-N 3.12Å; A166-A170 WeakPolarHBondContact O-CB 3.48Å; A166-A170 PolarHBondContact O-N 3.42Å |
| 167 | A | 36.5 | Very low | 37.8 | Very low | 58 Ų | 58 | 83.8 Ų | 83.8 | 48% | 0.479 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.1 | -39.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A163 V164 A170 A171 | A163-A167 WeakPolarHBondContact O-CB 3.42Å; A163-A167 PolarHBondContact O-N 2.87Å; V164-A167 PolarHBondContact O-N 3.38Å; A167-A170 PolarHBondContact O-N 2.67Å; A167-A171 VanDerWaalsContact O-CB 3.29Å; A167-A171 WeakPolarHBondContact O-CB 3.23Å; A167-A171 PolarHBondContact O-N 2.99Å |
| 168 | A | 39.9 | Very low | 38.1 | Very low | 62 Ų | 62 | 85 Ų | 85 | 51% | 0.512 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67 | -42 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V164 A171 A172 | V164-A168 WeakPolarHBondContact O-CB 3.48Å; V164-A168 PolarHBondContact O-N 3.28Å; A168-A171 PolarHBondContact O-N 3.18Å; A168-A172 WeakPolarHBondContact O-CB 3.33Å; A168-A172 PolarHBondContact O-N 3.07Å |
| 169 | A | 40.2 | Very low | 39 | Very low | 62 Ų | 62 | 82.5 Ų | 82.5 | 51% | 0.512 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.2 | -37.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A165 A173 | A165-A169 WeakPolarHBondContact O-CB 3.38Å; A165-A169 PolarHBondContact O-N 2.89Å; A169-A173 VanDerWaalsContact O-CB 3.24Å; A169-A173 WeakPolarHBondContact O-CB 3.46Å; A169-A173 PolarHBondContact O-N 2.88Å |
| 170 | A | 37.6 | Very low | 39.5 | Very low | 59 Ų | 59 | 79 Ų | 79 | 49% | 0.488 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.5 | -37.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | A166 A167 A174 | A166-A170 WeakPolarHBondContact O-CB 3.48Å; A166-A170 PolarHBondContact O-N 3.42Å; A167-A170 PolarHBondContact O-N 2.67Å; A170-A174 WeakPolarHBondContact O-CB 3.33Å; A170-A174 PolarHBondContact O-N 3.41Å |
| 171 | A | 36.5 | Very low | 39.7 | Very low | 57 Ų | 57 | 79.6 Ų | 79.6 | 47% | 0.471 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | A167 A168 A174 N175 | A167-A171 VanDerWaalsContact O-CB 3.29Å; A167-A171 WeakPolarHBondContact O-CB 3.23Å; A167-A171 PolarHBondContact O-N 2.99Å; A168-A171 PolarHBondContact O-N 3.18Å; A171-A174 PolarHBondContact O-N 3.28Å; A171-N175 WeakPolarHBondContact O-CB 3.32Å; A171-N175 PolarHBondContact O-N 3.05Å |
| 172 | A | 38.9 | Very low | 40.3 | Very low | 57 Ų | 57 | 77.9 Ų | 77.9 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A168 S176 | A168-A172 WeakPolarHBondContact O-CB 3.33Å; A168-A172 PolarHBondContact O-N 3.07Å; A172-S176 WeakPolarHBondContact O-CB 3.47Å; A172-S176 PolarHBondContact O-N 3.21Å; A172-S176 PolarHBondContact O-OG 3.31Å |
| 173 | A | 38.8 | Very low | 40.6 | Very low | 44 Ų | 44 | 77 Ų | 77 | 36% | 0.364 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70 | -34.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | A169 R177 | A169-A173 VanDerWaalsContact O-CB 3.24Å; A169-A173 WeakPolarHBondContact O-CB 3.46Å; A169-A173 PolarHBondContact O-N 2.88Å; A173-R177 WeakPolarHBondContact O-CB 3.44Å; A173-R177 WeakPolarHBondContact O-CG 3.45Å; A173-R177 PolarHBondContact O-N 3.49Å |
| 174 | A | 39.1 | Very low | 40.9 | Very low | 46 Ų | 46 | 76.5 Ų | 76.5 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.2 | -43.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A170 A171 R177 Q178 | A170-A174 WeakPolarHBondContact O-CB 3.33Å; A170-A174 PolarHBondContact O-N 3.41Å; A171-A174 PolarHBondContact O-N 3.28Å; A174-R177 CarbonylContact O-C 3.54Å; A174-R177 PolarHBondContact O-N 3.17Å; A174-Q178 WeakPolarHBondContact O-CB 3.49Å; A174-Q178 PolarHBondContact O-N 3Å |
| 175 | N | 41 | Very low | 41 | Very low | 106 Ų | 106 | 73.8 Ų | 73.8 | 57% | 0.567 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.5 | -43.3 | 174.3 | -110.7 | -4.3 | 0 | 0 | 0 | 111.8 | A171 R177 Q178 V179 | A171-N175 WeakPolarHBondContact O-CB 3.32Å; A171-N175 PolarHBondContact O-N 3.05Å; N175-R177 VanDerWaalsContact C-N 3.33Å; N175-R177 PolarHBondContact O-N 3.32Å; N175-Q178 PolarHBondContact O-N 3.45Å; N175-V179 VanDerWaalsContact O-CG2 3.32Å; N175-V179 WeakPolarHBondContact O-CG2 3.14Å; N175-V179 PolarHBondContact O-N 3.38Å |
| 176 | S | 42.4 | Very low | 41.3 | Very low | 81 Ų | 81 | 73.8 Ų | 73.8 | 57% | 0.566 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.4 | -37.8 | 176.7 | -55.5 | 0 | 0 | 0 | 0 | 112 | A172 A180 | A172-S176 WeakPolarHBondContact O-CB 3.47Å; A172-S176 PolarHBondContact O-N 3.21Å; A172-S176 PolarHBondContact O-OG 3.31Å; S176-A180 VanDerWaalsContact O-CB 3.24Å; S176-A180 WeakPolarHBondContact O-CB 3.37Å; S176-A180 PolarHBondContact O-N 3.49Å |
| 177 | R | 42.1 | Very low | 41.6 | Very low | 192 Ų | 192 | 73.8 Ų | 73.8 | 73% | 0.725 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -72.3 | -33.1 | 173.1 | -78.9 | 179.7 | -168.1 | 175.8 | 4.7 | 112.8 | A173 A174 N175 A181 | A173-R177 WeakPolarHBondContact O-CB 3.44Å; A173-R177 WeakPolarHBondContact O-CG 3.45Å; A173-R177 PolarHBondContact O-N 3.49Å; A174-R177 CarbonylContact O-C 3.54Å; A174-R177 PolarHBondContact O-N 3.17Å; N175-R177 VanDerWaalsContact C-N 3.33Å; N175-R177 PolarHBondContact O-N 3.32Å; R177-A181 WeakPolarHBondContact O-CA 3.38Å; R177-A181 WeakPolarHBondContact O-CB 3.49Å; R177-A181 PolarHBondContact O-N 3.23Å |
| 178 | Q | 40.9 | Very low | 41.8 | Very low | 124 Ų | 124 | 73.8 Ų | 73.8 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.3 | -40.1 | 175.8 | -112.6 | 172.6 | -46.4 | 0 | 0 | 111.3 | A174 N175 A181 T182 | A174-Q178 WeakPolarHBondContact O-CB 3.49Å; A174-Q178 PolarHBondContact O-N 3Å; N175-Q178 PolarHBondContact O-N 3.45Å; Q178-A181 PolarHBondContact O-N 3.03Å; Q178-T182 WeakPolarHBondContact O-CB 3.21Å; Q178-T182 WeakPolarHBondContact O-CG2 3.37Å; Q178-T182 PolarHBondContact O-N 3.34Å; Q178-T182 PolarHBondContact O-OG1 3.01Å |
| 179 | V | 48.9 | Very low | 42.2 | Very low | 98 Ų | 98 | 76.2 Ų | 76.2 | 59% | 0.594 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.1 | -41.8 | 174 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | N175 T182 A183 | N175-V179 VanDerWaalsContact O-CG2 3.32Å; N175-V179 WeakPolarHBondContact O-CG2 3.14Å; N175-V179 PolarHBondContact O-N 3.38Å; V179-T182 WeakPolarHBondContact CA-OG1 3.25Å; V179-T182 PolarHBondContact O-OG1 2.74Å; V179-T182 VanDerWaalsContact O-OG1 3.1Å; V179-A183 VanDerWaalsContact O-CB 3.26Å; V179-A183 WeakPolarHBondContact O-CB 3.35Å; V179-A183 PolarHBondContact O-N 3.46Å |
| 180 | A | 43.4 | Very low | 42.6 | Very low | 60 Ų | 60 | 76.6 Ų | 76.6 | 50% | 0.496 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.1 | -36.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S176 A184 | S176-A180 VanDerWaalsContact O-CB 3.24Å; S176-A180 WeakPolarHBondContact O-CB 3.37Å; S176-A180 PolarHBondContact O-N 3.49Å; A180-A184 WeakPolarHBondContact O-CB 3.15Å; A180-A184 PolarHBondContact O-N 3.17Å |
| 181 | A | 39.7 | Very low | 42.9 | Very low | 57 Ų | 57 | 77.4 Ų | 77.4 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -76.5 | -31.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R177 Q178 A185 | R177-A181 WeakPolarHBondContact O-CA 3.38Å; R177-A181 WeakPolarHBondContact O-CB 3.49Å; R177-A181 PolarHBondContact O-N 3.23Å; Q178-A181 PolarHBondContact O-N 3.03Å; A181-A185 WeakPolarHBondContact O-CA 3.32Å; A181-A185 WeakPolarHBondContact O-CB 3.46Å; A181-A185 PolarHBondContact O-N 2.96Å |
| 182 | T | 47.5 | Very low | 43.1 | Very low | 89 Ų | 89 | 78.7 Ų | 78.7 | 55% | 0.546 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -72.9 | -37.8 | 171.3 | 44.4 | 0 | 0 | 0 | 0 | 111.4 | Q178 V179 A186 | Q178-T182 WeakPolarHBondContact O-CB 3.21Å; Q178-T182 WeakPolarHBondContact O-CG2 3.37Å; Q178-T182 PolarHBondContact O-N 3.34Å; Q178-T182 PolarHBondContact O-OG1 3.01Å; V179-T182 WeakPolarHBondContact CA-OG1 3.25Å; V179-T182 PolarHBondContact O-OG1 2.74Å; V179-T182 VanDerWaalsContact O-OG1 3.1Å; T182-A186 VanDerWaalsContact O-CB 3.23Å; T182-A186 WeakPolarHBondContact O-CB 3.44Å; T182-A186 PolarHBondContact O-N 2.82Å |
| 183 | A | 44.5 | Very low | 43.5 | Very low | 62 Ų | 62 | 79.7 Ų | 79.7 | 51% | 0.512 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V179 A187 | V179-A183 VanDerWaalsContact O-CB 3.26Å; V179-A183 WeakPolarHBondContact O-CB 3.35Å; V179-A183 PolarHBondContact O-N 3.46Å; A183-A187 WeakPolarHBondContact O-CB 3.37Å; A183-A187 PolarHBondContact O-N 3.31Å |
| 184 | A | 42.2 | Very low | 43.8 | Very low | 58 Ų | 58 | 81.1 Ų | 81.1 | 48% | 0.479 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.9 | -34.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A180 A187 A188 | A180-A184 WeakPolarHBondContact O-CB 3.15Å; A180-A184 PolarHBondContact O-N 3.17Å; A184-A187 PolarHBondContact O-N 3.06Å; A184-A188 VanDerWaalsContact O-CB 3.23Å; A184-A188 WeakPolarHBondContact O-CB 3.34Å; A184-A188 PolarHBondContact O-N 2.89Å |
| 185 | A | 40.8 | Very low | 44 | Very low | 52 Ų | 52 | 81.6 Ų | 81.6 | 43% | 0.43 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.3 | -38 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A181 A187 A188 V189 | A181-A185 WeakPolarHBondContact O-CA 3.32Å; A181-A185 WeakPolarHBondContact O-CB 3.46Å; A181-A185 PolarHBondContact O-N 2.96Å; A185-A187 VanDerWaalsContact C-N 3.33Å; A185-A188 PolarHBondContact O-N 2.98Å; A185-V189 WeakPolarHBondContact O-CB 3.4Å; A185-V189 VanDerWaalsContact O-CG2 3.22Å; A185-V189 WeakPolarHBondContact O-CG2 3.26Å; A185-V189 PolarHBondContact O-N 2.67Å |
| 186 | A | 47.1 | Very low | 44 | Very low | 65 Ų | 65 | 83.6 Ų | 83.6 | 54% | 0.537 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.6 | -40.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T182 A190 | T182-A186 VanDerWaalsContact O-CB 3.23Å; T182-A186 WeakPolarHBondContact O-CB 3.44Å; T182-A186 PolarHBondContact O-N 2.82Å; A186-A190 VanDerWaalsContact O-CB 3.31Å; A186-A190 WeakPolarHBondContact O-CB 3.33Å; A186-A190 PolarHBondContact O-N 3.07Å; A186-A190 VanDerWaalsContact O-N 3.08Å |
| 187 | A | 45.6 | Very low | 44.4 | Very low | 61 Ų | 61 | 84 Ų | 84 | 50% | 0.504 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.2 | -36 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A183 A184 A185 A191 | A183-A187 WeakPolarHBondContact O-CB 3.37Å; A183-A187 PolarHBondContact O-N 3.31Å; A184-A187 PolarHBondContact O-N 3.06Å; A185-A187 VanDerWaalsContact C-N 3.33Å; A187-A191 WeakPolarHBondContact O-CB 3.31Å; A187-A191 PolarHBondContact O-N 3.23Å |
| 188 | A | 41.2 | Very low | 44.1 | Very low | 57 Ų | 57 | 78 Ų | 78 | 47% | 0.471 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -75.7 | -37.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A184 A185 A190 A191 A192 | A184-A188 VanDerWaalsContact O-CB 3.23Å; A184-A188 WeakPolarHBondContact O-CB 3.34Å; A184-A188 PolarHBondContact O-N 2.89Å; A185-A188 PolarHBondContact O-N 2.98Å; A188-A190 VanDerWaalsContact C-N 3.32Å; A188-A191 PolarHBondContact O-N 3.43Å; A188-A192 WeakPolarHBondContact O-CB 3.46Å; A188-A192 PolarHBondContact O-N 3.47Å |
| 189 | V | 47.7 | Very low | 44.6 | Very low | 113 Ų | 113 | 76.4 Ų | 76.4 | 69% | 0.685 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.2 | -34.9 | 172.1 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | A185 | A185-V189 WeakPolarHBondContact O-CB 3.4Å; A185-V189 VanDerWaalsContact O-CG2 3.22Å; A185-V189 WeakPolarHBondContact O-CG2 3.26Å; A185-V189 PolarHBondContact O-N 2.67Å |
| 190 | A | 49 | Very low | 44.5 | Very low | 71 Ų | 71 | 76 Ų | 76 | 59% | 0.587 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.2 | -34 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A186 A188 | A186-A190 VanDerWaalsContact O-CB 3.31Å; A186-A190 WeakPolarHBondContact O-CB 3.33Å; A186-A190 PolarHBondContact O-N 3.07Å; A186-A190 VanDerWaalsContact O-N 3.08Å; A188-A190 VanDerWaalsContact C-N 3.32Å |
| 191 | A | 43 | Very low | 44.9 | Very low | 76 Ų | 76 | 78.6 Ų | 78.6 | 63% | 0.628 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.3 | -32.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | A187 A188 A193 G194 | A187-A191 WeakPolarHBondContact O-CB 3.31Å; A187-A191 PolarHBondContact O-N 3.23Å; A188-A191 PolarHBondContact O-N 3.43Å; A191-A193 VanDerWaalsContact C-N 3.3Å; A191-A193 PolarHBondContact O-N 3.43Å; A191-G194 PolarHBondContact O-N 2.97Å |
| 192 | A | 41.7 | Very low | 45.7 | Very low | 84 Ų | 84 | 81.9 Ų | 81.9 | 69% | 0.694 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -73.6 | -16.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A188 G194 | A188-A192 WeakPolarHBondContact O-CB 3.46Å; A188-A192 PolarHBondContact O-N 3.47Å; A192-G194 VanDerWaalsContact C-N 3.25Å; A192-G194 PolarHBondContact O-N 3.06Å |
| 193 | A | 46.2 | Very low | 47.2 | Very low | 77 Ų | 77 | 81.3 Ų | 81.3 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -2.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A191 G195 | A191-A193 VanDerWaalsContact C-N 3.3Å; A191-A193 PolarHBondContact O-N 3.43Å; A193-G195 VanDerWaalsContact C-N 3.31Å; A193-G195 PolarHBondContact O-N 3.39Å |
| 194 | G | 44.8 | Very low | 49.5 | Very low | 74 Ų | 74 | 83.1 Ų | 83.1 | 76% | 0.763 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 11.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116 | A191 A192 | A191-G194 PolarHBondContact O-N 2.97Å; A192-G194 VanDerWaalsContact C-N 3.25Å; A192-G194 PolarHBondContact O-N 3.06Å |
| 195 | G | 43.3 | Very low | 52.1 | Low | 57 Ų | 57 | 81.5 Ų | 81.5 | 59% | 0.588 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -119.4 | 114.4 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | A193 | A193-G195 VanDerWaalsContact C-N 3.31Å; A193-G195 PolarHBondContact O-N 3.39Å |
| 196 | V | 41.7 | Very low | 54.7 | Low | 148 Ų | 148 | 87 Ų | 87 | 90% | 0.897 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 84.6 | 93.5 | 168.8 | -161.9 | 0 | 0 | 0 | 0 | 115.9 | G198 | V196-G198 PolarHBondContact O-N 3.37Š|
| 197 | G | 51.1 | Low | 57.1 | Low | 89 Ų | 89 | 85.5 Ų | 85.5 | 92% | 0.918 | 61% | 0.613 | S | S | * | * | trans | 45.9 | 42.3 | 138.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 198 | G | 36.6 | Very low | 59.5 | Low | 67 Ų | 67 | 82.7 Ų | 82.7 | 69% | 0.691 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 140.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V196 | V196-G198 PolarHBondContact O-N 3.37Š|
| 199 | A | 49.8 | Very low | 62.2 | Low | 89 Ų | 89 | 81.6 Ų | 81.6 | 74% | 0.736 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 152 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q201 | A199-Q201 PolarHBondContact O-N 3.26Š|
| 200 | P | 46.9 | Very low | 64.5 | Low | 89 Ų | 89 | 77 Ų | 77 | 58% | 0.578 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -51.8 | 129.9 | -177.2 | 18.8 | -30.8 | 0 | 0 | 0 | 111.1 | ||
| 201 | Q | 51.6 | Low | 66.8 | Low | 115 Ų | 115 | 75.3 Ų | 75.3 | 54% | 0.537 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 131.8 | 169.5 | -74.6 | -74.3 | -10.8 | 0 | 0 | 108.4 | A199 G203 | A199-Q201 PolarHBondContact O-N 3.26Å; Q201-G203 PolarHBondContact O-N 3.2Å |
| 202 | P | 56.8 | Low | 69.3 | Low | 127 Ų | 127 | 75.3 Ų | 75.3 | 83% | 0.825 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 110.2 | -177.6 | 23.8 | -30.2 | 0 | 0 | 0 | 109.1 | ||
| 203 | G | 80.4 | Confident | 71.8 | Confident | 77 Ų | 77 | 75.6 Ų | 75.6 | 79% | 0.794 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 131.5 | -15.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q201 | Q201-G203 PolarHBondContact O-N 3.2Š|
| 204 | R | 92.4 | Very high | 74.1 | Confident | 100 Ų | 100 | 80 Ų | 80 | 38% | 0.377 | 51% | 0.507 | S | S | . | . | trans | -96.9 | 142.3 | 175.2 | -63.1 | -171.1 | -168.9 | 103 | 10.3 | 112 | L208 E209 E230 D234 | R204-L208 HydrophobicContact CB-CD2 4.39Å; R204-L208 HydrophobicContact CG-CD2 4.18Å; R204-E209 IonicContact NH1-OE2 2.77Å; R204-E230 WeakPolarHBondContact CA-OE1 3.36Å; R204-D234 IonicContact NE-OD2 3.56Å | ||
| 205 | S | 96.3 | Very high | 76.4 | Confident | 24 Ų | 24 | 85.1 Ų | 85.1 | 17% | 0.168 | 50% | 0.503 | C | S | . | . | trans | -64.6 | 154 | 171.4 | 70.8 | 0 | 0 | 0 | 0 | 110.9 | L207 L208 E209 H227 E230 | S205-L207 PolarHBondContact O-N 3.22Å; S205-L208 PolarHBondContact O-N 3.01Å; S205-L208 WeakPolarHBondContact OG-CB 3.49Å; S205-L208 PolarHBondContact OG-N 2.56Å; S205-E209 PolarHBondContact O-N 2.65Å; S205-E209 VanDerWaalsContact O-N 3.07Å; S205-H227 PolarHBondContact OG-CD2 3.24Å; S205-E230 WeakPolarHBondContact CB-OE2 3.43Å; S205-E230 PolarHBondContact N-OE1 2.84Å; S205-E230 PolarHBondContact OG-OE1 3.18Å; S205-E230 PolarHBondContact OG-OE2 2.99Å | ||
| 206 | R | 95.7 | Very high | 78.8 | Confident | 167 Ų | 167 | 87.4 Ų | 87.4 | 63% | 0.63 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -57.4 | -38.1 | 175.7 | -178.5 | 65.9 | -166.6 | 178.6 | 9.5 | 111.7 | E209 D210 | R206-E209 PolarHBondContact O-N 2.65Å; R206-D210 IonicContact CZ-OD1 2.89Å; R206-D210 IonicContact CZ-OD2 3.06Å; R206-D210 VanDerWaalsContact CZ-OD2 3.29Å; R206-D210 IonicContact NE-OD1 3.49Å; R206-D210 PolarHBondContact NE-OD1 3.21Å; R206-D210 IonicContact NE-OD2 3.22Å; R206-D210 PolarHBondContact NE-OD2 3.24Å; R206-D210 VanDerWaalsContact NH2-CG 3.32Å; R206-D210 IonicContact NH2-OD1 2.75Å; R206-D210 PolarHBondContact NH2-OD1 3.37Å; R206-D210 IonicContact NH2-OD2 3.46Å; R206-D210 PolarHBondContact NH2-OD2 2.88Å; R206-D210 WeakPolarHBondContact O-CB 3.48Å; R206-D210 PolarHBondContact O-N 3.17Å |
| 207 | L | 97.1 | Very high | 81.1 | Confident | 33 Ų | 33 | 85.5 Ų | 85.5 | 17% | 0.173 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -63.8 | -48.1 | -179.8 | 178.6 | 61 | 0 | 0 | 0 | 111.6 | S205 D210 F211 Y216 D223 L224 H227 F231 | S205-L207 PolarHBondContact O-N 3.22Å; L207-D210 PolarHBondContact O-N 3.5Å; L207-F211 WeakPolarHBondContact O-CB 3.44Å; L207-F211 PolarHBondContact O-N 3.18Å; L207-Y216 HydrophobicContact CD1-CD2 4.24Å; L207-Y216 HydrophobicContact CD1-CE2 3.92Å; L207-D223 WeakPolarHBondContact CD2-O 3.42Å; L207-L224 HydrophobicContact CD2-CD2 4.28Å; L207-H227 HydrophobicContact CD2-CB 4.27Å; L207-F231 HydrophobicContact CD2-CE2 4.2Å; L207-F231 HydrophobicContact CD2-CZ 4.41Å; L207-F231 HydrophobicContact CG-CE2 4.05Å; L207-F231 HydrophobicContact CG-CZ 3.98Å |
| 208 | L | 96.6 | Very high | 83.1 | Confident | 3 Ų | 3 | 87.6 Ų | 87.6 | 2% | 0.016 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 178.4 | 179.6 | 58.9 | 0 | 0 | 0 | 111.6 | R204 S205 F211 R212 E230 F231 D234 | R204-L208 HydrophobicContact CB-CD2 4.39Å; R204-L208 HydrophobicContact CG-CD2 4.18Å; S205-L208 PolarHBondContact O-N 3.01Å; S205-L208 WeakPolarHBondContact OG-CB 3.49Å; S205-L208 PolarHBondContact OG-N 2.56Å; L208-F211 HydrophobicContact CD1-CD1 4.31Å; L208-F211 PolarHBondContact O-N 2.85Å; L208-R212 HydrophobicContact CD1-CG 4.37Å; L208-R212 VanDerWaalsContact O-CG 3.28Å; L208-R212 WeakPolarHBondContact O-CG 3.46Å; L208-R212 PolarHBondContact O-N 2.73Å; L208-E230 HydrophobicContact CD2-CG 3.92Å; L208-E230 WeakPolarHBondContact CD2-OE1 3.2Å; L208-F231 HydrophobicContact CB-CD2 4.21Å; L208-F231 HydrophobicContact CB-CE2 3.63Å; L208-F231 HydrophobicContact CB-CZ 4Å; L208-F231 HydrophobicContact CD1-CD1 3.97Å; L208-F231 HydrophobicContact CD1-CD2 3.96Å; L208-F231 HydrophobicContact CD1-CE1 3.85Å; L208-F231 HydrophobicContact CD1-CE2 3.86Å; L208-F231 HydrophobicContact CD1-CG 4.02Å; L208-F231 HydrophobicContact CD1-CZ 3.8Å; L208-F231 HydrophobicContact CG-CE2 4.3Å; L208-D234 HydrophobicContact CD1-CB 3.98Å; L208-D234 HydrophobicContact CD2-CB 3.8Å; L208-D234 HydrophobicContact CG-CB 4.49Å |
| 209 | E | 96.7 | Very high | 86 | Confident | 34 Ų | 34 | 84.9 Ų | 84.9 | 16% | 0.159 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 179.4 | -168.7 | 57.1 | -141 | 0 | 0 | 111.9 | R204 S205 R206 R212 N213 | R204-E209 IonicContact NH1-OE2 2.77Å; S205-E209 PolarHBondContact O-N 2.65Å; S205-E209 VanDerWaalsContact O-N 3.07Å; R206-E209 PolarHBondContact O-N 2.65Å; E209-R212 PolarHBondContact O-N 3.4Å; E209-N213 WeakPolarHBondContact O-CB 3.28Å; E209-N213 PolarHBondContact O-N 3.35Å; E209-N213 PolarHBondContact O-ND2 2.98Å; E209-N213 PolarHBondContact OE1-ND2 3.41Å |
| 210 | D | 96.4 | Very high | 88.2 | Confident | 16 Ų | 16 | 83.6 Ų | 83.6 | 9% | 0.086 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67.3 | -35.9 | 176.4 | -80.1 | -22 | 0 | 0 | 0 | 111.9 | R206 L207 N213 Q214 R215 Y216 | R206-D210 IonicContact CZ-OD1 2.89Å; R206-D210 IonicContact CZ-OD2 3.06Å; R206-D210 VanDerWaalsContact CZ-OD2 3.29Å; R206-D210 IonicContact NE-OD1 3.49Å; R206-D210 PolarHBondContact NE-OD1 3.21Å; R206-D210 IonicContact NE-OD2 3.22Å; R206-D210 PolarHBondContact NE-OD2 3.24Å; R206-D210 VanDerWaalsContact NH2-CG 3.32Å; R206-D210 IonicContact NH2-OD1 2.75Å; R206-D210 PolarHBondContact NH2-OD1 3.37Å; R206-D210 IonicContact NH2-OD2 3.46Å; R206-D210 PolarHBondContact NH2-OD2 2.88Å; R206-D210 WeakPolarHBondContact O-CB 3.48Å; R206-D210 PolarHBondContact O-N 3.17Å; L207-D210 PolarHBondContact O-N 3.5Å; D210-N213 CarbonylContact O-C 3.57Å; D210-N213 PolarHBondContact O-N 3.1Å; D210-Q214 PolarHBondContact O-N 2.95Å; D210-R215 HydrophobicContact CB-CB 4.01Å; D210-R215 HydrophobicContact CB-CG 4.2Å; D210-R215 VanDerWaalsContact O-CB 3.26Å; D210-R215 WeakPolarHBondContact O-CB 3.2Å; D210-R215 PolarHBondContact O-N 3.48Å; D210-Y216 HydrophobicContact CB-CD2 3.98Å; D210-Y216 HydrophobicContact CB-CE2 3.49Å; D210-Y216 VanDerWaalsContact CB-CE2 3.49Å |
| 211 | F | 97.2 | Very high | 90.6 | Very high | 35 Ų | 35 | 79.5 Ų | 79.5 | 15% | 0.154 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.6 | -48.7 | 171.8 | 167.6 | -107.8 | 0 | 0 | 0 | 111.9 | L207 L208 N213 Q214 L219 F231 H236 F240 | L207-F211 WeakPolarHBondContact O-CB 3.44Å; L207-F211 PolarHBondContact O-N 3.18Å; L208-F211 HydrophobicContact CD1-CD1 4.31Å; L208-F211 PolarHBondContact O-N 2.85Å; F211-N213 PolarHBondContact O-N 2.9Å; F211-Q214 PolarHBondContact O-N 3.38Å; F211-L219 HydrophobicContact CB-CD2 4.12Å; F211-L219 HydrophobicContact CD2-CD2 3.44Å; F211-L219 VanDerWaalsContact CD2-CD2 3.44Å; F211-L219 HydrophobicContact CE2-CD2 4.13Å; F211-L219 HydrophobicContact CG-CD2 3.93Å; F211-F231 HydrophobicContact CB-CE1 4.11Å; F211-F231 HydrophobicContact CB-CZ 4.1Å; F211-F231 HydrophobicContact CD1-CD1 4.42Å; F211-F231 AromaticContact CD1-CE1 3.65Å; F211-F231 HydrophobicContact CD1-CE1 3.65Å; F211-F231 HydrophobicContact CD1-CZ 4.38Å; F211-F231 HydrophobicContact CE1-CE1 4.27Å; F211-F231 AromaticContact CG-CE1 3.87Å; F211-F231 HydrophobicContact CG-CE1 3.87Å; F211-F231 HydrophobicContact CG-CZ 4.37Å; F211-H236 HydrophobicContact CE1-CB 3.98Å; F211-F240 HydrophobicContact CE1-CB 4.23Å; F211-F240 HydrophobicContact CE2-CB 4.37Å; F211-F240 AromaticContact CE2-CD2 3.8Å; F211-F240 HydrophobicContact CE2-CD2 3.8Å; F211-F240 HydrophobicContact CE2-CE2 4.32Å; F211-F240 HydrophobicContact CE2-CG 4.12Å; F211-F240 HydrophobicContact CZ-CB 3.63Å; F211-F240 AromaticContact CZ-CD2 3.92Å; F211-F240 HydrophobicContact CZ-CD2 3.92Å; F211-F240 AromaticContact CZ-CG 3.87Å; F211-F240 HydrophobicContact CZ-CG 3.87Å |
| 212 | R | 95.4 | Very high | 92.7 | Very high | 77 Ų | 77 | 81.8 Ų | 81.8 | 29% | 0.291 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.9 | -35.9 | 177.5 | -71.6 | 169.6 | 59.4 | 89.9 | 15.4 | 112.2 | L208 E209 Q214 D234 H236 | L208-R212 HydrophobicContact CD1-CG 4.37Å; L208-R212 VanDerWaalsContact O-CG 3.28Å; L208-R212 WeakPolarHBondContact O-CG 3.46Å; L208-R212 PolarHBondContact O-N 2.73Å; E209-R212 PolarHBondContact O-N 3.4Å; R212-Q214 PolarHBondContact O-N 3.28Å; R212-D234 IonicContact CZ-OD2 3.47Å; R212-D234 IonicContact NH1-OD1 2.77Å; R212-D234 IonicContact NH1-OD2 3.29Å; R212-D234 PolarHBondContact NH1-OD2 2.96Å; R212-H236 HydrophobicContact CG-CB 4.49Å; R212-H236 PolarHBondContact NH1-CD2 2.8Å |
| 213 | N | 95.4 | Very high | 94.6 | Very high | 89 Ų | 89 | 79.1 Ų | 79.1 | 48% | 0.476 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 17.5 | 176.3 | -68.7 | -53 | 0 | 0 | 0 | 113.9 | E209 D210 F211 R215 | E209-N213 WeakPolarHBondContact O-CB 3.28Å; E209-N213 PolarHBondContact O-N 3.35Å; E209-N213 PolarHBondContact O-ND2 2.98Å; E209-N213 PolarHBondContact OE1-ND2 3.41Å; D210-N213 CarbonylContact O-C 3.57Å; D210-N213 PolarHBondContact O-N 3.1Å; F211-N213 PolarHBondContact O-N 2.9Å; N213-R215 HydrophobicContact CB-CG 4.3Å; N213-R215 PolarHBondContact O-N 2.8Å; N213-R215 VanDerWaalsContact O-N 3.11Å |
| 214 | Q | 93.6 | Very high | 95.4 | Very high | 169 Ų | 169 | 75.5 Ų | 75.5 | 79% | 0.79 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 24.7 | 175.1 | -53.4 | 177.3 | 13.6 | 0 | 0 | 114 | D210 F211 R212 Y216 | D210-Q214 PolarHBondContact O-N 2.95Å; F211-Q214 PolarHBondContact O-N 3.38Å; R212-Q214 PolarHBondContact O-N 3.28Å; Q214-Y216 VanDerWaalsContact C-N 3.27Å; Q214-Y216 PolarHBondContact O-N 3.08Å |
| 215 | R | 93.6 | Very high | 95.6 | Very high | 183 Ų | 183 | 72.6 Ų | 72.6 | 69% | 0.691 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -75.5 | -18 | 178.3 | -60.5 | -64.6 | -169.3 | 164.2 | 0.2 | 112.8 | D210 N213 P217 | D210-R215 HydrophobicContact CB-CB 4.01Å; D210-R215 HydrophobicContact CB-CG 4.2Å; D210-R215 VanDerWaalsContact O-CB 3.26Å; D210-R215 WeakPolarHBondContact O-CB 3.2Å; D210-R215 PolarHBondContact O-N 3.48Å; N213-R215 HydrophobicContact CB-CG 4.3Å; N213-R215 PolarHBondContact O-N 2.8Å; N213-R215 VanDerWaalsContact O-N 3.11Å; R215-P217 WeakPolarHBondContact O-CD 3.45Å |
| 216 | Y | 93.4 | Very high | 95.6 | Very high | 104 Ų | 104 | 78.5 Ų | 78.5 | 41% | 0.408 | 37% | 0.369 | S | S | . | . | trans | -122.2 | 75.9 | 179.4 | -61.9 | -64.2 | 0 | 0 | 0 | 112 | L207 D210 Q214 N218 L219 | L207-Y216 HydrophobicContact CD1-CD2 4.24Å; L207-Y216 HydrophobicContact CD1-CE2 3.92Å; D210-Y216 HydrophobicContact CB-CD2 3.98Å; D210-Y216 HydrophobicContact CB-CE2 3.49Å; D210-Y216 VanDerWaalsContact CB-CE2 3.49Å; Q214-Y216 VanDerWaalsContact C-N 3.27Å; Q214-Y216 PolarHBondContact O-N 3.08Å; Y216-N218 PolarHBondContact O-N 3.41Å; Y216-L219 HydrophobicContact CG-CD1 4.34Å; Y216-L219 PolarHBondContact O-N 2.78Å | ||
| 217 | P | 89.7 | Confident | 95.7 | Very high | 108 Ų | 108 | 73.4 Ų | 73.4 | 70% | 0.701 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21.4 | -177.4 | 26.9 | -35.2 | 0 | 0 | 0 | 113.8 | R215 | R215-P217 WeakPolarHBondContact O-CD 3.45Š|
| 218 | N | 94 | Very high | 95.7 | Very high | 133 Ų | 133 | 71.9 Ų | 71.9 | 71% | 0.711 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | 21.1 | -175.5 | -62.9 | -39.8 | 0 | 0 | 0 | 113.5 | Y216 Q220 | Y216-N218 PolarHBondContact O-N 3.41Å; N218-Q220 PolarHBondContact O-NE2 3.38Å |
| 219 | L | 96.1 | Very high | 95.8 | Very high | 11 Ų | 11 | 73.5 Ų | 73.5 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | trans | -55.6 | 139.3 | -178.2 | -161.4 | 65.4 | 0 | 0 | 0 | 111.5 | F211 Y216 D223 L224 F231 F240 K244 | F211-L219 HydrophobicContact CB-CD2 4.12Å; F211-L219 HydrophobicContact CD2-CD2 3.44Å; F211-L219 VanDerWaalsContact CD2-CD2 3.44Å; F211-L219 HydrophobicContact CE2-CD2 4.13Å; F211-L219 HydrophobicContact CG-CD2 3.93Å; Y216-L219 HydrophobicContact CG-CD1 4.34Å; Y216-L219 PolarHBondContact O-N 2.78Å; L219-D223 HydrophobicContact CD1-CB 3.58Å; L219-D223 HydrophobicContact CG-CB 4.4Å; L219-L224 HydrophobicContact CD2-CD2 3.7Å; L219-L224 HydrophobicContact CG-CD2 4.18Å; L219-F231 HydrophobicContact CD2-CE1 4.25Å; L219-F240 HydrophobicContact CB-CE2 4.08Å; L219-F240 HydrophobicContact CB-CZ 3.91Å; L219-F240 HydrophobicContact CD2-CE1 4.44Å; L219-F240 HydrophobicContact CD2-CZ 4.25Å; L219-F240 HydrophobicContact CG-CZ 4.02Å; L219-F240 WeakPolarHBondContact O-CE2 3.34Å; L219-F240 VanDerWaalsContact O-CZ 3.25Å; L219-F240 WeakPolarHBondContact O-CZ 3.32Å; L219-K244 WeakPolarHBondContact O-CE 3.36Å; L219-K244 PolarHBondContact O-NZ 2.87Å | ||
| 220 | Q | 96.9 | Very high | 95.9 | Very high | 62 Ų | 62 | 74.1 Ų | 74.1 | 29% | 0.29 | 36% | 0.358 | S | S | . | . | trans | -120.2 | 165.4 | 176.4 | -54.2 | -57.3 | -37.3 | 0 | 0 | 111 | N218 R222 D223 K244 | N218-Q220 PolarHBondContact O-NE2 3.38Å; Q220-R222 VanDerWaalsContact C-N 3.28Å; Q220-R222 HydrophobicContact CB-CG 4.18Å; Q220-R222 PolarHBondContact O-N 3.49Å; Q220-D223 WeakPolarHBondContact CB-OD2 3.19Å; Q220-D223 PolarHBondContact N-OD2 3.07Å; Q220-D223 WeakPolarHBondContact O-CB 3.43Å; Q220-D223 PolarHBondContact O-N 2.91Å; Q220-D223 VanDerWaalsContact O-N 3.08Å; Q220-K244 VanDerWaalsContact CD-NZ 3.34Å | ||
| 221 | L | 96.8 | Very high | 96 | Very high | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -59.4 | -39.1 | -179.2 | -72.7 | 174.1 | 0 | 0 | 0 | 112.6 | D223 L224 F240 I241 K244 L245 A248 E252 V256 | L221-D223 PolarHBondContact O-N 2.75Å; L221-L224 WeakPolarHBondContact O-CB 3.43Å; L221-L224 PolarHBondContact O-N 3.29Å; L221-F240 HydrophobicContact CD2-CE1 4.42Å; L221-I241 HydrophobicContact CD2-CG1 4.35Å; L221-I241 HydrophobicContact CD2-CG2 4.47Å; L221-K244 HydrophobicContact CD1-CB 3.81Å; L221-K244 HydrophobicContact CD2-CB 3.78Å; L221-K244 HydrophobicContact CD2-CG 4.44Å; L221-K244 HydrophobicContact CG-CB 3.64Å; L221-K244 HydrophobicContact CG-CG 4.33Å; L221-L245 HydrophobicContact CD1-CD2 4.45Å; L221-A248 HydrophobicContact CD1-CB 3.69Å; L221-E252 HydrophobicContact CD1-CB 4.22Å; L221-V256 HydrophobicContact CB-CG2 4.23Å; L221-V256 HydrophobicContact CD1-CG2 4.14Å; L221-V256 HydrophobicContact CD2-CG2 4.02Å; L221-V256 HydrophobicContact CG-CG2 4.35Å |
| 222 | R | 95.8 | Very high | 96.1 | Very high | 164 Ų | 164 | 71.7 Ų | 71.7 | 62% | 0.619 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -60.7 | -23.7 | 177 | 69.8 | -174.6 | 179.8 | -164.4 | -2 | 114.7 | Q220 L224 M255 | Q220-R222 VanDerWaalsContact C-N 3.28Å; Q220-R222 HydrophobicContact CB-CG 4.18Å; Q220-R222 PolarHBondContact O-N 3.49Å; R222-L224 PolarHBondContact O-N 3.29Å; R222-M255 HydrophobicContact CB-CE 3.57Å |
| 223 | D | 97 | Very high | 96.2 | Very high | 71 Ų | 71 | 71.8 Ų | 71.8 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -81 | -10.7 | 180 | -49.8 | -38.1 | 0 | 0 | 0 | 111.2 | L207 L219 Q220 L221 | L207-D223 WeakPolarHBondContact CD2-O 3.42Å; L219-D223 HydrophobicContact CD1-CB 3.58Å; L219-D223 HydrophobicContact CG-CB 4.4Å; Q220-D223 WeakPolarHBondContact CB-OD2 3.19Å; Q220-D223 PolarHBondContact N-OD2 3.07Å; Q220-D223 WeakPolarHBondContact O-CB 3.43Å; Q220-D223 PolarHBondContact O-N 2.91Å; Q220-D223 VanDerWaalsContact O-N 3.08Å; L221-D223 PolarHBondContact O-N 2.75Å |
| 224 | L | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -92.3 | 8.9 | 178.9 | -58.2 | -169.1 | 0 | 0 | 0 | 113.8 | L207 L219 L221 R222 N226 H227 I228 F231 F240 I241 | L207-L224 HydrophobicContact CD2-CD2 4.28Å; L219-L224 HydrophobicContact CD2-CD2 3.7Å; L219-L224 HydrophobicContact CG-CD2 4.18Å; L221-L224 WeakPolarHBondContact O-CB 3.43Å; L221-L224 PolarHBondContact O-N 3.29Å; R222-L224 PolarHBondContact O-N 3.29Å; L224-N226 PolarHBondContact O-N 3.35Å; L224-H227 CarbonylContact O-C 3.07Å; L224-H227 WeakPolarHBondContact O-CA 3.3Å; L224-H227 PolarHBondContact O-N 3.18Å; L224-I228 HydrophobicContact CB-CD1 3.5Å; L224-I228 VanDerWaalsContact CB-CD1 3.5Å; L224-I228 HydrophobicContact CB-CG1 4.32Å; L224-I228 HydrophobicContact CD1-CD1 3.99Å; L224-I228 HydrophobicContact CG-CD1 4.38Å; L224-I228 PolarHBondContact O-N 2.92Å; L224-F231 HydrophobicContact CD1-CB 4.38Å; L224-F231 HydrophobicContact CD1-CD1 3.75Å; L224-F231 HydrophobicContact CD1-CE1 4.22Å; L224-F231 HydrophobicContact CD1-CG 4.07Å; L224-F231 HydrophobicContact CD2-CD1 3.79Å; L224-F231 HydrophobicContact CD2-CD2 4.28Å; L224-F231 HydrophobicContact CD2-CE1 3.42Å; L224-F231 VanDerWaalsContact CD2-CE1 3.42Å; L224-F231 HydrophobicContact CD2-CE2 3.93Å; L224-F231 HydrophobicContact CD2-CG 4.21Å; L224-F231 HydrophobicContact CD2-CZ 3.5Å; L224-F231 VanDerWaalsContact CD2-CZ 3.5Å; L224-F231 HydrophobicContact CG-CD1 4.43Å; L224-F231 HydrophobicContact CG-CE1 4.48Å; L224-F240 HydrophobicContact CD1-CD1 3.84Å; L224-F240 HydrophobicContact CD1-CE1 3.63Å; L224-F240 HydrophobicContact CG-CE1 4.19Å; L224-I241 HydrophobicContact CD1-CD1 4.29Å; L224-I241 HydrophobicContact CD1-CG1 3.92Å |
| 225 | A | 96.1 | Very high | 96.5 | Very high | 40 Ų | 40 | 64.3 Ų | 64.3 | 33% | 0.331 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 133.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H227 E259 | A225-H227 PolarHBondContact O-N 3.37Å; A225-H227 PolarHBondContact O-ND1 3.47Å; A225-E259 WeakPolarHBondContact CA-OE1 3.4Å |
| 226 | N | 96.4 | Very high | 96.7 | Very high | 147 Ų | 147 | 59.8 Ų | 59.8 | 79% | 0.786 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 3.3 | -173.9 | -45 | -72.6 | 0 | 0 | 0 | 115.9 | L224 E259 | L224-N226 PolarHBondContact O-N 3.35Å; N226-E259 WeakPolarHBondContact CA-OE2 3.41Å; N226-E259 PolarHBondContact N-OE1 2.77Å; N226-E259 PolarHBondContact N-OE2 2.9Å |
| 227 | H | 97.8 | Very high | 97 | Very high | 61 Ų | 61 | 54.9 Ų | 54.9 | 28% | 0.282 | 28% | 0.28 | S | S | . | . | trans | -122.8 | 6.8 | 179.6 | -60.2 | 79.9 | 0 | 0 | 0 | 111.9 | S205 L207 L224 A225 V229 E230 F231 E259 | S205-H227 PolarHBondContact OG-CD2 3.24Å; L207-H227 HydrophobicContact CD2-CB 4.27Å; L224-H227 CarbonylContact O-C 3.07Å; L224-H227 WeakPolarHBondContact O-CA 3.3Å; L224-H227 PolarHBondContact O-N 3.18Å; A225-H227 PolarHBondContact O-N 3.37Å; A225-H227 PolarHBondContact O-ND1 3.47Å; H227-V229 PolarHBondContact O-N 3.42Å; H227-E230 IonicContact CD2-OE2 3.81Å; H227-E230 PolarHBondContact CD2-OE2 3.26Å; H227-E230 PolarHBondContact O-N 3.37Å; H227-F231 HydrophobicContact CB-CD2 3.93Å; H227-F231 HydrophobicContact CB-CE2 4.09Å; H227-F231 WeakPolarHBondContact O-CB 3.42Å; H227-F231 VanDerWaalsContact O-CD2 3.3Å; H227-F231 WeakPolarHBondContact O-CD2 3.42Å; H227-F231 PolarHBondContact O-N 3.46Å; H227-E259 PolarHBondContact N-OE2 3.18Å | ||
| 228 | I | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | -175.6 | -68.4 | -66.3 | 0 | 0 | 0 | 111.9 | L224 F231 S232 I241 V256 E259 I260 | L224-I228 HydrophobicContact CB-CD1 3.5Å; L224-I228 VanDerWaalsContact CB-CD1 3.5Å; L224-I228 HydrophobicContact CB-CG1 4.32Å; L224-I228 HydrophobicContact CD1-CD1 3.99Å; L224-I228 HydrophobicContact CG-CD1 4.38Å; L224-I228 PolarHBondContact O-N 2.92Å; I228-F231 PolarHBondContact O-N 3.21Å; I228-S232 VanDerWaalsContact O-CB 3.3Å; I228-S232 WeakPolarHBondContact O-CB 3.43Å; I228-S232 PolarHBondContact O-N 3.02Å; I228-S232 PolarHBondContact O-OG 3.23Å; I228-I241 HydrophobicContact CD1-CD1 4.43Å; I228-I241 HydrophobicContact CG2-CD1 4.4Å; I228-V256 HydrophobicContact CD1-CB 4.48Å; I228-V256 HydrophobicContact CD1-CG1 4.35Å; I228-V256 HydrophobicContact CD1-CG2 3.88Å; I228-V256 HydrophobicContact CG2-CG1 3.77Å; I228-E259 HydrophobicContact CB-CB 3.87Å; I228-E259 HydrophobicContact CB-CG 4.46Å; I228-E259 VanDerWaalsContact CB-OE2 3.31Å; I228-E259 WeakPolarHBondContact CB-OE2 3.49Å; I228-E259 HydrophobicContact CG1-CB 4.26Å; I228-E259 HydrophobicContact CG1-CG 4.4Å; I228-E259 WeakPolarHBondContact CG1-OE2 3.12Å; I228-E259 HydrophobicContact CG2-CB 4.25Å; I228-E259 PolarHBondContact N-OE2 3.07Å; I228-I260 HydrophobicContact CG2-CG2 3.41Å; I228-I260 VanDerWaalsContact CG2-CG2 3.41Å |
| 229 | V | 98.3 | Very high | 97.6 | Very high | 38 Ų | 38 | 50.4 Ų | 50.4 | 23% | 0.23 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.1 | -44.8 | 179.6 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | H227 S232 Q233 E259 A263 L267 | H227-V229 PolarHBondContact O-N 3.42Å; V229-S232 WeakPolarHBondContact O-CB 3.48Å; V229-S232 PolarHBondContact O-N 3.43Å; V229-Q233 WeakPolarHBondContact O-CG 3.33Å; V229-Q233 PolarHBondContact O-N 3.43Å; V229-Q233 VanDerWaalsContact O-N 3.08Å; V229-E259 WeakPolarHBondContact CG2-O 3.19Å; V229-A263 HydrophobicContact CG1-CB 3.85Å; V229-A263 HydrophobicContact CG2-CB 3.98Å; V229-L267 HydrophobicContact CG1-CD2 4.34Å |
| 230 | E | 98.2 | Very high | 97.7 | Very high | 47 Ų | 47 | 50.9 Ų | 50.9 | 22% | 0.22 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.7 | -48.5 | 176.8 | -171.5 | -160.8 | -176.6 | 0 | 0 | 111.3 | R204 S205 L208 H227 S232 Q233 D234 | R204-E230 WeakPolarHBondContact CA-OE1 3.36Å; S205-E230 WeakPolarHBondContact CB-OE2 3.43Å; S205-E230 PolarHBondContact N-OE1 2.84Å; S205-E230 PolarHBondContact OG-OE1 3.18Å; S205-E230 PolarHBondContact OG-OE2 2.99Å; L208-E230 HydrophobicContact CD2-CG 3.92Å; L208-E230 WeakPolarHBondContact CD2-OE1 3.2Å; H227-E230 IonicContact CD2-OE2 3.81Å; H227-E230 PolarHBondContact CD2-OE2 3.26Å; H227-E230 PolarHBondContact O-N 3.37Å; E230-S232 VanDerWaalsContact C-N 3.27Å; E230-S232 PolarHBondContact O-N 3.06Å; E230-Q233 PolarHBondContact O-N 3.26Å; E230-Q233 VanDerWaalsContact O-N 3.15Å; E230-D234 PolarHBondContact O-N 3.35Å |
| 231 | F | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -37.5 | 176.3 | -89.3 | -114.7 | 0 | 0 | 0 | 111.4 | L207 L208 F211 L219 L224 H227 I228 Q233 D234 G237 S238 I241 | L207-F231 HydrophobicContact CD2-CE2 4.2Å; L207-F231 HydrophobicContact CD2-CZ 4.41Å; L207-F231 HydrophobicContact CG-CE2 4.05Å; L207-F231 HydrophobicContact CG-CZ 3.98Å; L208-F231 HydrophobicContact CB-CD2 4.21Å; L208-F231 HydrophobicContact CB-CE2 3.63Å; L208-F231 HydrophobicContact CB-CZ 4Å; L208-F231 HydrophobicContact CD1-CD1 3.97Å; L208-F231 HydrophobicContact CD1-CD2 3.96Å; L208-F231 HydrophobicContact CD1-CE1 3.85Å; L208-F231 HydrophobicContact CD1-CE2 3.86Å; L208-F231 HydrophobicContact CD1-CG 4.02Å; L208-F231 HydrophobicContact CD1-CZ 3.8Å; L208-F231 HydrophobicContact CG-CE2 4.3Å; F211-F231 HydrophobicContact CB-CE1 4.11Å; F211-F231 HydrophobicContact CB-CZ 4.1Å; F211-F231 HydrophobicContact CD1-CD1 4.42Å; F211-F231 AromaticContact CD1-CE1 3.65Å; F211-F231 HydrophobicContact CD1-CE1 3.65Å; F211-F231 HydrophobicContact CD1-CZ 4.38Å; F211-F231 HydrophobicContact CE1-CE1 4.27Å; F211-F231 AromaticContact CG-CE1 3.87Å; F211-F231 HydrophobicContact CG-CE1 3.87Å; F211-F231 HydrophobicContact CG-CZ 4.37Å; L219-F231 HydrophobicContact CD2-CE1 4.25Å; L224-F231 HydrophobicContact CD1-CB 4.38Å; L224-F231 HydrophobicContact CD1-CD1 3.75Å; L224-F231 HydrophobicContact CD1-CE1 4.22Å; L224-F231 HydrophobicContact CD1-CG 4.07Å; L224-F231 HydrophobicContact CD2-CD1 3.79Å; L224-F231 HydrophobicContact CD2-CD2 4.28Å; L224-F231 HydrophobicContact CD2-CE1 3.42Å; L224-F231 VanDerWaalsContact CD2-CE1 3.42Å; L224-F231 HydrophobicContact CD2-CE2 3.93Å; L224-F231 HydrophobicContact CD2-CG 4.21Å; L224-F231 HydrophobicContact CD2-CZ 3.5Å; L224-F231 VanDerWaalsContact CD2-CZ 3.5Å; L224-F231 HydrophobicContact CG-CD1 4.43Å; L224-F231 HydrophobicContact CG-CE1 4.48Å; H227-F231 HydrophobicContact CB-CD2 3.93Å; H227-F231 HydrophobicContact CB-CE2 4.09Å; H227-F231 WeakPolarHBondContact O-CB 3.42Å; H227-F231 VanDerWaalsContact O-CD2 3.3Å; H227-F231 WeakPolarHBondContact O-CD2 3.42Å; H227-F231 PolarHBondContact O-N 3.46Å; I228-F231 PolarHBondContact O-N 3.21Å; F231-Q233 VanDerWaalsContact C-N 3.26Å; F231-Q233 PolarHBondContact O-N 2.97Å; F231-D234 PolarHBondContact O-N 2.98Å; F231-D234 VanDerWaalsContact O-N 3.12Å; F231-G237 CarbonylContact O-C 3.5Å; F231-G237 VanDerWaalsContact O-CA 3.29Å; F231-G237 WeakPolarHBondContact O-CA 3.43Å; F231-S238 PolarHBondContact O-N 2.62Å; F231-I241 HydrophobicContact CB-CD1 3.66Å |
| 232 | S | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.2 | -29.2 | 177.8 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | I228 V229 E230 S238 I241 F272 G273 | I228-S232 VanDerWaalsContact O-CB 3.3Å; I228-S232 WeakPolarHBondContact O-CB 3.43Å; I228-S232 PolarHBondContact O-N 3.02Å; I228-S232 PolarHBondContact O-OG 3.23Å; V229-S232 WeakPolarHBondContact O-CB 3.48Å; V229-S232 PolarHBondContact O-N 3.43Å; E230-S232 VanDerWaalsContact C-N 3.27Å; E230-S232 PolarHBondContact O-N 3.06Å; S232-S238 WeakPolarHBondContact O-CB 3.42Å; S232-I241 WeakPolarHBondContact OG-CD1 3.48Å; S232-F272 CarbonylContact O-C 3.54Å; S232-F272 VanDerWaalsContact O-C 3.28Å; S232-G273 WeakPolarHBondContact O-CA 3.45Å; S232-G273 PolarHBondContact O-N 2.98Å |
| 233 | Q | 98.3 | Very high | 97.9 | Very high | 79 Ų | 79 | 48 Ų | 48 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 1.3 | 175.9 | -67 | 174.5 | -20.4 | 0 | 0 | 113.1 | V229 E230 F231 L267 F272 | V229-Q233 WeakPolarHBondContact O-CG 3.33Å; V229-Q233 PolarHBondContact O-N 3.43Å; V229-Q233 VanDerWaalsContact O-N 3.08Å; E230-Q233 PolarHBondContact O-N 3.26Å; E230-Q233 VanDerWaalsContact O-N 3.15Å; F231-Q233 VanDerWaalsContact C-N 3.26Å; F231-Q233 PolarHBondContact O-N 2.97Å; Q233-L267 HydrophobicContact CG-CD2 3.66Å; Q233-F272 WeakPolarHBondContact O-CD2 3.19Å |
| 234 | D | 98.3 | Very high | 98 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 6% | 0.059 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -102.6 | 143.5 | 172.1 | -178.9 | -92.2 | 0 | 0 | 0 | 111.3 | R204 L208 R212 E230 F231 H236 G237 S238 | R204-D234 IonicContact NE-OD2 3.56Å; L208-D234 HydrophobicContact CD1-CB 3.98Å; L208-D234 HydrophobicContact CD2-CB 3.8Å; L208-D234 HydrophobicContact CG-CB 4.49Å; R212-D234 IonicContact CZ-OD2 3.47Å; R212-D234 IonicContact NH1-OD1 2.77Å; R212-D234 IonicContact NH1-OD2 3.29Å; R212-D234 PolarHBondContact NH1-OD2 2.96Å; E230-D234 PolarHBondContact O-N 3.35Å; F231-D234 PolarHBondContact O-N 2.98Å; F231-D234 VanDerWaalsContact O-N 3.12Å; D234-H236 PolarHBondContact O-N 3.29Å; D234-H236 WeakPolarHBondContact OD1-CA 3.36Å; D234-H236 PolarHBondContact OD1-N 3.18Å; D234-G237 PolarHBondContact OD1-N 3.47Å; D234-S238 WeakPolarHBondContact O-CB 3.32Å; D234-S238 PolarHBondContact O-N 3.44Å |
| 235 | Q | 98 | Very high | 97.9 | Very high | 90 Ų | 90 | 47.6 Ų | 47.6 | 42% | 0.421 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.6 | -44.3 | -178.9 | -172.5 | -178.8 | 30.9 | 0 | 0 | 113.3 | R239 F272 | Q235-R239 WeakPolarHBondContact O-CG 3.19Å; Q235-F272 HydrophobicContact CB-CD1 4.12Å; Q235-F272 HydrophobicContact CB-CD2 4.35Å; Q235-F272 HydrophobicContact CB-CE1 3.73Å; Q235-F272 HydrophobicContact CB-CE2 3.98Å; Q235-F272 HydrophobicContact CB-CG 4.42Å; Q235-F272 HydrophobicContact CB-CZ 3.66Å; Q235-F272 HydrophobicContact CG-CD1 4.19Å; Q235-F272 HydrophobicContact CG-CE1 3.69Å; Q235-F272 HydrophobicContact CG-CZ 4.03Å |
| 236 | H | 97.8 | Very high | 97.8 | Very high | 88 Ų | 88 | 50.2 Ų | 50.2 | 41% | 0.407 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -82.1 | -40.1 | -179.6 | -61.6 | -68.8 | 0 | 0 | 0 | 110.5 | F211 R212 D234 R239 F240 | F211-H236 HydrophobicContact CE1-CB 3.98Å; R212-H236 HydrophobicContact CG-CB 4.49Å; R212-H236 PolarHBondContact NH1-CD2 2.8Å; D234-H236 PolarHBondContact O-N 3.29Å; D234-H236 WeakPolarHBondContact OD1-CA 3.36Å; D234-H236 PolarHBondContact OD1-N 3.18Å; H236-R239 PolarHBondContact O-N 3.06Å; H236-F240 WeakPolarHBondContact O-CB 3.39Å; H236-F240 PolarHBondContact O-N 3.33Å |
| 237 | G | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.6 | -47 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F231 D234 R239 F240 I241 | F231-G237 CarbonylContact O-C 3.5Å; F231-G237 VanDerWaalsContact O-CA 3.29Å; F231-G237 WeakPolarHBondContact O-CA 3.43Å; D234-G237 PolarHBondContact OD1-N 3.47Å; G237-R239 PolarHBondContact O-N 3.12Å; G237-F240 WeakPolarHBondContact O-CB 3.26Å; G237-F240 PolarHBondContact O-N 2.9Å; G237-I241 WeakPolarHBondContact O-CG1 3.46Å; G237-I241 PolarHBondContact O-N 3.46Å |
| 238 | S | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 179.8 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | F231 S232 D234 F240 I241 Q242 F272 | F231-S238 PolarHBondContact O-N 2.62Å; S232-S238 WeakPolarHBondContact O-CB 3.42Å; D234-S238 WeakPolarHBondContact O-CB 3.32Å; D234-S238 PolarHBondContact O-N 3.44Å; S238-F240 VanDerWaalsContact C-N 3.3Å; S238-F240 PolarHBondContact O-N 3.12Å; S238-I241 PolarHBondContact O-N 2.88Å; S238-Q242 WeakPolarHBondContact O-CG 3.49Å; S238-Q242 PolarHBondContact O-N 3.38Å; S238-Q242 PolarHBondContact O-NE2 2.92Å; S238-Q242 PolarHBondContact OG-NE2 3.39Å; S238-F272 PolarHBondContact OG-O 3.35Å |
| 239 | R | 98.4 | Very high | 97.5 | Very high | 146 Ų | 146 | 55.6 Ų | 55.6 | 55% | 0.551 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.5 | -40.3 | 175.8 | -75.4 | -177.4 | -178.4 | -80.6 | 0.7 | 112.1 | Q235 H236 G237 Q242 Q243 | Q235-R239 WeakPolarHBondContact O-CG 3.19Å; H236-R239 PolarHBondContact O-N 3.06Å; G237-R239 PolarHBondContact O-N 3.12Å; R239-Q242 PolarHBondContact O-N 2.93Å; R239-Q243 VanDerWaalsContact O-CG 3.29Å; R239-Q243 WeakPolarHBondContact O-CG 2.95Å; R239-Q243 PolarHBondContact O-N 3.4Å |
| 240 | F | 98.4 | Very high | 97.4 | Very high | 22 Ų | 22 | 57.1 Ų | 57.1 | 10% | 0.096 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -48.3 | 175.9 | 171.2 | -91.6 | 0 | 0 | 0 | 111.7 | F211 L219 L221 L224 H236 G237 S238 Q242 Q243 K244 | F211-F240 HydrophobicContact CE1-CB 4.23Å; F211-F240 HydrophobicContact CE2-CB 4.37Å; F211-F240 AromaticContact CE2-CD2 3.8Å; F211-F240 HydrophobicContact CE2-CD2 3.8Å; F211-F240 HydrophobicContact CE2-CE2 4.32Å; F211-F240 HydrophobicContact CE2-CG 4.12Å; F211-F240 HydrophobicContact CZ-CB 3.63Å; F211-F240 AromaticContact CZ-CD2 3.92Å; F211-F240 HydrophobicContact CZ-CD2 3.92Å; F211-F240 AromaticContact CZ-CG 3.87Å; F211-F240 HydrophobicContact CZ-CG 3.87Å; L219-F240 HydrophobicContact CB-CE2 4.08Å; L219-F240 HydrophobicContact CB-CZ 3.91Å; L219-F240 HydrophobicContact CD2-CE1 4.44Å; L219-F240 HydrophobicContact CD2-CZ 4.25Å; L219-F240 HydrophobicContact CG-CZ 4.02Å; L219-F240 WeakPolarHBondContact O-CE2 3.34Å; L219-F240 VanDerWaalsContact O-CZ 3.25Å; L219-F240 WeakPolarHBondContact O-CZ 3.32Å; L221-F240 HydrophobicContact CD2-CE1 4.42Å; L224-F240 HydrophobicContact CD1-CD1 3.84Å; L224-F240 HydrophobicContact CD1-CE1 3.63Å; L224-F240 HydrophobicContact CG-CE1 4.19Å; H236-F240 WeakPolarHBondContact O-CB 3.39Å; H236-F240 PolarHBondContact O-N 3.33Å; G237-F240 WeakPolarHBondContact O-CB 3.26Å; G237-F240 PolarHBondContact O-N 2.9Å; S238-F240 VanDerWaalsContact C-N 3.3Å; S238-F240 PolarHBondContact O-N 3.12Å; F240-Q242 PolarHBondContact O-N 2.96Å; F240-Q243 PolarHBondContact O-N 3.17Å; F240-K244 HydrophobicContact CD1-CG 4.48Å; F240-K244 HydrophobicContact CD2-CG 4.4Å; F240-K244 HydrophobicContact CE1-CG 4.1Å; F240-K244 HydrophobicContact CE2-CD 4.46Å; F240-K244 HydrophobicContact CE2-CG 4.03Å; F240-K244 HydrophobicContact CZ-CD 4.39Å; F240-K244 HydrophobicContact CZ-CG 3.87Å; F240-K244 WeakPolarHBondContact O-CG 3.49Å; F240-K244 PolarHBondContact O-N 3.37Å |
| 241 | I | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 177.8 | -67.8 | 170.2 | 0 | 0 | 0 | 110.4 | L221 L224 I228 F231 S232 G237 S238 Q243 K244 L245 V256 V276 | L221-I241 HydrophobicContact CD2-CG1 4.35Å; L221-I241 HydrophobicContact CD2-CG2 4.47Å; L224-I241 HydrophobicContact CD1-CD1 4.29Å; L224-I241 HydrophobicContact CD1-CG1 3.92Å; I228-I241 HydrophobicContact CD1-CD1 4.43Å; I228-I241 HydrophobicContact CG2-CD1 4.4Å; F231-I241 HydrophobicContact CB-CD1 3.66Å; S232-I241 WeakPolarHBondContact OG-CD1 3.48Å; G237-I241 WeakPolarHBondContact O-CG1 3.46Å; G237-I241 PolarHBondContact O-N 3.46Å; S238-I241 PolarHBondContact O-N 2.88Å; I241-Q243 PolarHBondContact O-N 3.17Å; I241-K244 PolarHBondContact O-N 2.92Å; I241-L245 HydrophobicContact CG2-CD1 3.72Å; I241-L245 HydrophobicContact CG2-CG 4.04Å; I241-L245 WeakPolarHBondContact O-CB 3.43Å; I241-L245 WeakPolarHBondContact O-CG 3.39Å; I241-L245 PolarHBondContact O-N 3.38Å; I241-V256 HydrophobicContact CG2-CG1 4.28Å; I241-V276 HydrophobicContact CB-CG2 4.39Å; I241-V276 HydrophobicContact CG2-CG1 3.88Å; I241-V276 HydrophobicContact CG2-CG2 4.13Å |
| 242 | Q | 98.4 | Very high | 97.2 | Very high | 32 Ų | 32 | 60.5 Ų | 60.5 | 15% | 0.15 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.6 | -48.8 | 178.9 | -69.4 | 165.6 | 54.3 | 0 | 0 | 112.3 | S238 R239 F240 K244 L245 Y275 V276 K279 | S238-Q242 WeakPolarHBondContact O-CG 3.49Å; S238-Q242 PolarHBondContact O-N 3.38Å; S238-Q242 PolarHBondContact O-NE2 2.92Å; S238-Q242 PolarHBondContact OG-NE2 3.39Å; R239-Q242 PolarHBondContact O-N 2.93Å; F240-Q242 PolarHBondContact O-N 2.96Å; Q242-K244 VanDerWaalsContact C-N 3.32Å; Q242-K244 PolarHBondContact O-N 3.23Å; Q242-L245 PolarHBondContact O-N 3.36Å; Q242-Y275 VanDerWaalsContact CD-CB 3.42Å; Q242-Y275 VanDerWaalsContact NE2-CB 3.27Å; Q242-V276 HydrophobicContact CG-CG2 4.43Å; Q242-K279 HydrophobicContact CB-CG 4.25Å; Q242-K279 HydrophobicContact CG-CG 4.07Å |
| 243 | Q | 97.5 | Very high | 97.2 | Very high | 135 Ų | 135 | 62 Ų | 62 | 63% | 0.631 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.5 | -38.3 | 179.8 | -72.6 | 172.6 | -0 | 0 | 0 | 112.3 | R239 F240 I241 | R239-Q243 VanDerWaalsContact O-CG 3.29Å; R239-Q243 WeakPolarHBondContact O-CG 2.95Å; R239-Q243 PolarHBondContact O-N 3.4Å; F240-Q243 PolarHBondContact O-N 3.17Å; I241-Q243 PolarHBondContact O-N 3.17Å |
| 244 | K | 97.1 | Very high | 97.2 | Very high | 61 Ų | 61 | 62.2 Ų | 62.2 | 27% | 0.265 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -73.8 | -38.1 | 179.5 | -71 | -72.6 | -171.1 | 168.2 | 0 | 112.2 | L219 Q220 L221 F240 I241 Q242 E246 R247 A248 | L219-K244 WeakPolarHBondContact O-CE 3.36Å; L219-K244 PolarHBondContact O-NZ 2.87Å; Q220-K244 VanDerWaalsContact CD-NZ 3.34Å; L221-K244 HydrophobicContact CD1-CB 3.81Å; L221-K244 HydrophobicContact CD2-CB 3.78Å; L221-K244 HydrophobicContact CD2-CG 4.44Å; L221-K244 HydrophobicContact CG-CB 3.64Å; L221-K244 HydrophobicContact CG-CG 4.33Å; F240-K244 HydrophobicContact CD1-CG 4.48Å; F240-K244 HydrophobicContact CD2-CG 4.4Å; F240-K244 HydrophobicContact CE1-CG 4.1Å; F240-K244 HydrophobicContact CE2-CD 4.46Å; F240-K244 HydrophobicContact CE2-CG 4.03Å; F240-K244 HydrophobicContact CZ-CD 4.39Å; F240-K244 HydrophobicContact CZ-CG 3.87Å; F240-K244 WeakPolarHBondContact O-CG 3.49Å; F240-K244 PolarHBondContact O-N 3.37Å; I241-K244 PolarHBondContact O-N 2.92Å; Q242-K244 VanDerWaalsContact C-N 3.32Å; Q242-K244 PolarHBondContact O-N 3.23Å; K244-E246 PolarHBondContact O-N 3.47Å; K244-R247 PolarHBondContact O-N 3.36Å; K244-R247 VanDerWaalsContact O-N 3.13Å; K244-A248 WeakPolarHBondContact O-CB 3.37Å; K244-A248 PolarHBondContact O-N 3.38Å |
| 245 | L | 96.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.1 | -31.1 | -178.9 | -81.4 | 174.1 | 0 | 0 | 0 | 113.4 | L221 I241 Q242 R247 K253 V256 V276 K279 F280 | L221-L245 HydrophobicContact CD1-CD2 4.45Å; I241-L245 HydrophobicContact CG2-CD1 3.72Å; I241-L245 HydrophobicContact CG2-CG 4.04Å; I241-L245 WeakPolarHBondContact O-CB 3.43Å; I241-L245 WeakPolarHBondContact O-CG 3.39Å; I241-L245 PolarHBondContact O-N 3.38Å; Q242-L245 PolarHBondContact O-N 3.36Å; L245-R247 VanDerWaalsContact C-N 3.27Å; L245-R247 PolarHBondContact O-N 3.24Å; L245-K253 HydrophobicContact CD2-CG 3.97Å; L245-K253 WeakPolarHBondContact O-CE 3.47Å; L245-V256 HydrophobicContact CD2-CG1 4.36Å; L245-V276 HydrophobicContact CD1-CG1 4.29Å; L245-K279 HydrophobicContact CD1-CB 4Å; L245-F280 HydrophobicContact CD1-CD2 4.21Å; L245-F280 HydrophobicContact CD1-CE2 3.76Å; L245-F280 HydrophobicContact CD1-CZ 4.27Å; L245-F280 HydrophobicContact CD2-CE1 4.35Å; L245-F280 HydrophobicContact CD2-CE2 4.11Å; L245-F280 HydrophobicContact CD2-CZ 3.75Å |
| 246 | E | 94 | Very high | 97.1 | Very high | 94 Ų | 94 | 60.2 Ų | 60.2 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -31.5 | 179.4 | -66.6 | -176.3 | 176.6 | 0 | 0 | 113.2 | K244 K279 F283 | K244-E246 PolarHBondContact O-N 3.47Å; E246-K279 IonicContact OE1-NZ 3.59Å; E246-K279 PolarHBondContact OE1-NZ 2.89Å; E246-F283 HydrophobicContact CG-CD2 4.22Å; E246-F283 HydrophobicContact CG-CE2 3.67Å; E246-F283 HydrophobicContact CG-CZ 4.08Å |
| 247 | R | 93.6 | Very high | 97.2 | Very high | 228 Ų | 228 | 56.3 Ų | 56.3 | 86% | 0.86 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | 1.5 | -177.2 | -55.8 | -178.8 | -174.1 | -174.7 | 0.3 | 113 | K244 L245 | K244-R247 PolarHBondContact O-N 3.36Å; K244-R247 VanDerWaalsContact O-N 3.13Å; L245-R247 VanDerWaalsContact C-N 3.27Å; L245-R247 PolarHBondContact O-N 3.24Å |
| 248 | A | 95 | Very high | 97.1 | Very high | 14 Ų | 14 | 59.6 Ų | 59.6 | 12% | 0.116 | 30% | 0.302 | C | S | . | . | trans | -68.9 | 143.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L221 K244 E252 K253 | L221-A248 HydrophobicContact CD1-CB 3.69Å; K244-A248 WeakPolarHBondContact O-CB 3.37Å; K244-A248 PolarHBondContact O-N 3.38Å; A248-E252 HydrophobicContact CB-CB 4.04Å; A248-K253 HydrophobicContact CB-CG 3.95Å | ||
| 249 | T | 96.6 | Very high | 97.1 | Very high | 80 Ų | 80 | 61.6 Ų | 61.6 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | trans | -65.3 | 160 | 170 | 61.3 | 0 | 0 | 0 | 0 | 110.9 | A251 E252 K253 | T249-A251 PolarHBondContact O-N 2.89Å; T249-E252 PolarHBondContact N-OE2 3.1Å; T249-E252 PolarHBondContact O-N 3.27Å; T249-E252 WeakPolarHBondContact OG1-CG 3.47Å; T249-E252 PolarHBondContact OG1-N 3.08Å; T249-E252 PolarHBondContact OG1-OE2 2.92Å; T249-K253 PolarHBondContact O-N 3.24Å | ||
| 250 | A | 95.9 | Very high | 97.1 | Very high | 70 Ų | 70 | 54.6 Ų | 54.6 | 58% | 0.579 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -57.2 | -36.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K253 Q254 | A250-K253 PolarHBondContact O-N 2.94Å; A250-Q254 WeakPolarHBondContact O-CB 3.49Å; A250-Q254 PolarHBondContact O-N 3.15Å |
| 251 | A | 96.7 | Very high | 97 | Very high | 75 Ų | 75 | 55.9 Ų | 55.9 | 62% | 0.62 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.3 | -43.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | T249 Q254 M255 | T249-A251 PolarHBondContact O-N 2.89Å; A251-Q254 PolarHBondContact O-N 3.47Å; A251-M255 PolarHBondContact O-N 3.15Å; A251-M255 VanDerWaalsContact O-N 3.08Å |
| 252 | E | 96.6 | Very high | 96.9 | Very high | 43 Ų | 43 | 60.9 Ų | 60.9 | 20% | 0.201 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 175.4 | -72.8 | 169.6 | 128.3 | 0 | 0 | 111.5 | L221 A248 T249 Q254 M255 V256 | L221-E252 HydrophobicContact CD1-CB 4.22Å; A248-E252 HydrophobicContact CB-CB 4.04Å; T249-E252 PolarHBondContact N-OE2 3.1Å; T249-E252 PolarHBondContact O-N 3.27Å; T249-E252 WeakPolarHBondContact OG1-CG 3.47Å; T249-E252 PolarHBondContact OG1-N 3.08Å; T249-E252 PolarHBondContact OG1-OE2 2.92Å; E252-Q254 VanDerWaalsContact C-N 3.3Å; E252-Q254 PolarHBondContact O-N 3.1Å; E252-M255 PolarHBondContact O-N 3.4Å; E252-V256 WeakPolarHBondContact O-CG2 3.29Å; E252-V256 PolarHBondContact O-N 3.39Å; E252-V256 VanDerWaalsContact O-N 3.11Å |
| 253 | K | 97.7 | Very high | 96.8 | Very high | 32 Ų | 32 | 60.4 Ų | 60.4 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.6 | -43.3 | 174.3 | -70.4 | -179.6 | 178.8 | 178.8 | 0 | 111.3 | L245 A248 T249 A250 V256 F257 F280 F283 | L245-K253 HydrophobicContact CD2-CG 3.97Å; L245-K253 WeakPolarHBondContact O-CE 3.47Å; A248-K253 HydrophobicContact CB-CG 3.95Å; T249-K253 PolarHBondContact O-N 3.24Å; A250-K253 PolarHBondContact O-N 2.94Å; K253-V256 PolarHBondContact O-N 3.45Å; K253-F257 WeakPolarHBondContact O-CB 3.45Å; K253-F257 PolarHBondContact O-N 3.11Å; K253-F280 HydrophobicContact CB-CE1 4.28Å; K253-F283 PolarHBondContact NZ-O 2.94Å |
| 254 | Q | 98.2 | Very high | 96.8 | Very high | 83 Ų | 83 | 54 Ų | 54 | 39% | 0.388 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | -179.2 | -171.7 | 58.8 | 32.1 | 0 | 0 | 112.9 | A250 A251 E252 F257 S258 | A250-Q254 WeakPolarHBondContact O-CB 3.49Å; A250-Q254 PolarHBondContact O-N 3.15Å; A251-Q254 PolarHBondContact O-N 3.47Å; E252-Q254 VanDerWaalsContact C-N 3.3Å; E252-Q254 PolarHBondContact O-N 3.1Å; Q254-F257 PolarHBondContact O-N 3.27Å; Q254-S258 WeakPolarHBondContact O-CB 3.48Å; Q254-S258 PolarHBondContact O-N 3.36Å; Q254-S258 PolarHBondContact O-OG 3.38Å |
| 255 | M | 97.6 | Very high | 96.9 | Very high | 58 Ų | 58 | 54.2 Ų | 54.2 | 29% | 0.286 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.4 | -51.6 | 174 | 175.2 | -136.3 | -58.4 | 0 | 0 | 111.1 | R222 A251 E252 F257 S258 E259 | R222-M255 HydrophobicContact CB-CE 3.57Å; A251-M255 PolarHBondContact O-N 3.15Å; A251-M255 VanDerWaalsContact O-N 3.08Å; E252-M255 PolarHBondContact O-N 3.4Å; M255-F257 VanDerWaalsContact C-N 3.29Å; M255-F257 PolarHBondContact O-N 3.02Å; M255-S258 PolarHBondContact O-N 3.41Å; M255-E259 PolarHBondContact O-N 2.72Å |
| 256 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 176.6 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | L221 I228 I241 L245 E252 K253 S258 E259 I260 F280 | L221-V256 HydrophobicContact CB-CG2 4.23Å; L221-V256 HydrophobicContact CD1-CG2 4.14Å; L221-V256 HydrophobicContact CD2-CG2 4.02Å; L221-V256 HydrophobicContact CG-CG2 4.35Å; I228-V256 HydrophobicContact CD1-CB 4.48Å; I228-V256 HydrophobicContact CD1-CG1 4.35Å; I228-V256 HydrophobicContact CD1-CG2 3.88Å; I228-V256 HydrophobicContact CG2-CG1 3.77Å; I241-V256 HydrophobicContact CG2-CG1 4.28Å; L245-V256 HydrophobicContact CD2-CG1 4.36Å; E252-V256 WeakPolarHBondContact O-CG2 3.29Å; E252-V256 PolarHBondContact O-N 3.39Å; E252-V256 VanDerWaalsContact O-N 3.11Å; K253-V256 PolarHBondContact O-N 3.45Å; V256-S258 VanDerWaalsContact C-N 3.34Å; V256-S258 PolarHBondContact O-N 3.11Å; V256-E259 PolarHBondContact O-N 2.72Å; V256-I260 WeakPolarHBondContact O-CG1 3.39Å; V256-I260 PolarHBondContact O-N 3.38Å; V256-I260 VanDerWaalsContact O-N 3.14Å; V256-F280 HydrophobicContact CB-CZ 3.99Å; V256-F280 HydrophobicContact CG1-CE2 3.78Å; V256-F280 HydrophobicContact CG1-CZ 3.74Å |
| 257 | F | 98.4 | Very high | 97.1 | Very high | 7 Ų | 7 | 52.3 Ų | 52.3 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.9 | -44.3 | -179.5 | -170.4 | -101.4 | 0 | 0 | 0 | 112.4 | K253 Q254 M255 E259 I260 L261 F280 Q288 T291 L292 | K253-F257 WeakPolarHBondContact O-CB 3.45Å; K253-F257 PolarHBondContact O-N 3.11Å; Q254-F257 PolarHBondContact O-N 3.27Å; M255-F257 VanDerWaalsContact C-N 3.29Å; M255-F257 PolarHBondContact O-N 3.02Å; F257-E259 VanDerWaalsContact C-N 3.29Å; F257-E259 PolarHBondContact O-N 3.5Å; F257-I260 HydrophobicContact CD2-CD1 4.35Å; F257-I260 VanDerWaalsContact O-CG1 3.26Å; F257-I260 WeakPolarHBondContact O-CG1 3.49Å; F257-I260 PolarHBondContact O-N 3.24Å; F257-L261 HydrophobicContact CE1-CD1 4.41Å; F257-L261 HydrophobicContact CE1-CD2 4.18Å; F257-L261 HydrophobicContact CZ-CD1 4.3Å; F257-L261 WeakPolarHBondContact O-CB 3.21Å; F257-L261 PolarHBondContact O-N 3.44Å; F257-F280 HydrophobicContact CB-CD1 4.47Å; F257-F280 HydrophobicContact CB-CE1 3.72Å; F257-F280 HydrophobicContact CB-CZ 3.94Å; F257-F280 AromaticContact CD2-CD1 3.55Å; F257-F280 HydrophobicContact CD2-CD1 3.55Å; F257-F280 AromaticContact CD2-CE1 3.67Å; F257-F280 HydrophobicContact CD2-CE1 3.67Å; F257-F280 AromaticContact CD2-CG 3.99Å; F257-F280 HydrophobicContact CD2-CG 3.99Å; F257-F280 HydrophobicContact CD2-CZ 4.21Å; F257-F280 HydrophobicContact CE2-CD1 4.27Å; F257-F280 HydrophobicContact CG-CD1 4.44Å; F257-F280 HydrophobicContact CG-CE1 4.16Å; F257-Q288 HydrophobicContact CD1-CG 3.9Å; F257-Q288 HydrophobicContact CD2-CB 3.98Å; F257-Q288 HydrophobicContact CD2-CG 3.85Å; F257-Q288 HydrophobicContact CE1-CB 4.33Å; F257-Q288 HydrophobicContact CE1-CG 4.02Å; F257-Q288 HydrophobicContact CE2-CB 3.65Å; F257-Q288 HydrophobicContact CE2-CG 3.95Å; F257-Q288 HydrophobicContact CG-CB 4.43Å; F257-Q288 HydrophobicContact CG-CG 3.82Å; F257-Q288 HydrophobicContact CZ-CB 3.86Å; F257-Q288 HydrophobicContact CZ-CG 4.04Å; F257-Q288 WeakPolarHBondContact CZ-O 3.43Å; F257-T291 HydrophobicContact CE1-CG2 4.1Å; F257-T291 HydrophobicContact CZ-CG2 4.07Å; F257-L292 HydrophobicContact CE2-CD1 3.88Å; F257-L292 HydrophobicContact CE2-CD2 4.17Å; F257-L292 HydrophobicContact CE2-CG 3.7Å; F257-L292 HydrophobicContact CZ-CD2 4.49Å; F257-L292 HydrophobicContact CZ-CG 4.06Å |
| 258 | S | 97.8 | Very high | 97.4 | Very high | 69 Ų | 69 | 41.4 Ų | 41.4 | 48% | 0.483 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.5 | -36.9 | -177.4 | -57 | 0 | 0 | 0 | 0 | 111.9 | Q254 M255 V256 | Q254-S258 WeakPolarHBondContact O-CB 3.48Å; Q254-S258 PolarHBondContact O-N 3.36Å; Q254-S258 PolarHBondContact O-OG 3.38Å; M255-S258 PolarHBondContact O-N 3.41Å; V256-S258 VanDerWaalsContact C-N 3.34Å; V256-S258 PolarHBondContact O-N 3.11Å |
| 259 | E | 97.7 | Very high | 97.6 | Very high | 42 Ų | 42 | 42.5 Ų | 42.5 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74.9 | -42.1 | 177.5 | -69.8 | -172.3 | -139.4 | 0 | 0 | 112.8 | A225 N226 H227 I228 V229 M255 V256 F257 L261 | A225-E259 WeakPolarHBondContact CA-OE1 3.4Å; N226-E259 WeakPolarHBondContact CA-OE2 3.41Å; N226-E259 PolarHBondContact N-OE1 2.77Å; N226-E259 PolarHBondContact N-OE2 2.9Å; H227-E259 PolarHBondContact N-OE2 3.18Å; I228-E259 HydrophobicContact CB-CB 3.87Å; I228-E259 HydrophobicContact CB-CG 4.46Å; I228-E259 VanDerWaalsContact CB-OE2 3.31Å; I228-E259 WeakPolarHBondContact CB-OE2 3.49Å; I228-E259 HydrophobicContact CG1-CB 4.26Å; I228-E259 HydrophobicContact CG1-CG 4.4Å; I228-E259 WeakPolarHBondContact CG1-OE2 3.12Å; I228-E259 HydrophobicContact CG2-CB 4.25Å; I228-E259 PolarHBondContact N-OE2 3.07Å; V229-E259 WeakPolarHBondContact CG2-O 3.19Å; M255-E259 PolarHBondContact O-N 2.72Å; V256-E259 PolarHBondContact O-N 2.72Å; F257-E259 VanDerWaalsContact C-N 3.29Å; F257-E259 PolarHBondContact O-N 3.5Å; E259-L261 VanDerWaalsContact C-N 3.31Å; E259-L261 PolarHBondContact O-N 3.44Å |
| 260 | I | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.4 | -24.6 | -179.5 | 62.7 | 171 | 0 | 0 | 0 | 113 | I228 V256 F257 A262 A263 A264 L267 V276 I277 F280 | I228-I260 HydrophobicContact CG2-CG2 3.41Å; I228-I260 VanDerWaalsContact CG2-CG2 3.41Å; V256-I260 WeakPolarHBondContact O-CG1 3.39Å; V256-I260 PolarHBondContact O-N 3.38Å; V256-I260 VanDerWaalsContact O-N 3.14Å; F257-I260 HydrophobicContact CD2-CD1 4.35Å; F257-I260 VanDerWaalsContact O-CG1 3.26Å; F257-I260 WeakPolarHBondContact O-CG1 3.49Å; F257-I260 PolarHBondContact O-N 3.24Å; I260-A262 VanDerWaalsContact C-N 3.33Å; I260-A262 PolarHBondContact O-N 3.36Å; I260-A263 CarbonylContact O-C 3.14Å; I260-A263 VanDerWaalsContact O-C 3.28Å; I260-A263 PolarHBondContact O-N 3.16Å; I260-A264 WeakPolarHBondContact O-CA 3.47Å; I260-A264 PolarHBondContact O-N 3.23Å; I260-L267 HydrophobicContact CB-CD1 3.72Å; I260-L267 HydrophobicContact CG2-CD1 3.75Å; I260-V276 HydrophobicContact CD1-CG1 4.44Å; I260-I277 HydrophobicContact CD1-CD1 4.03Å; I260-F280 HydrophobicContact CD1-CD2 3.37Å; I260-F280 HydrophobicContact CD1-CE2 3.3Å; I260-F280 HydrophobicContact CD1-CG 4.25Å; I260-F280 HydrophobicContact CD1-CZ 4.13Å; I260-F280 HydrophobicContact CG1-CE2 4.43Å |
| 261 | L | 97.6 | Very high | 97.8 | Very high | 49 Ų | 49 | 39.5 Ų | 39.5 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.9 | -43.4 | -171 | -179.2 | 60 | 0 | 0 | 0 | 112 | F257 E259 A263 A264 T291 Q295 | F257-L261 HydrophobicContact CE1-CD1 4.41Å; F257-L261 HydrophobicContact CE1-CD2 4.18Å; F257-L261 HydrophobicContact CZ-CD1 4.3Å; F257-L261 WeakPolarHBondContact O-CB 3.21Å; F257-L261 PolarHBondContact O-N 3.44Å; E259-L261 VanDerWaalsContact C-N 3.31Å; E259-L261 PolarHBondContact O-N 3.44Å; L261-A263 PolarHBondContact O-N 3.3Å; L261-A264 WeakPolarHBondContact O-CB 3.36Å; L261-A264 PolarHBondContact O-N 3.25Å; L261-T291 HydrophobicContact CD1-CG2 3.73Å; L261-T291 HydrophobicContact CD2-CG2 3.9Å; L261-T291 HydrophobicContact CG-CG2 4.5Å; L261-Q295 HydrophobicContact CD1-CG 3.86Å |
| 262 | A | 94.7 | Very high | 97.9 | Very high | 104 Ų | 104 | 38.8 Ų | 38.8 | 86% | 0.86 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -25.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I260 | I260-A262 VanDerWaalsContact C-N 3.33Å; I260-A262 PolarHBondContact O-N 3.36Å |
| 263 | A | 97.3 | Very high | 98 | Very high | 23 Ų | 23 | 36.7 Ų | 36.7 | 19% | 0.19 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 13.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V229 I260 L261 Y265 S266 L267 | V229-A263 HydrophobicContact CG1-CB 3.85Å; V229-A263 HydrophobicContact CG2-CB 3.98Å; I260-A263 CarbonylContact O-C 3.14Å; I260-A263 VanDerWaalsContact O-C 3.28Å; I260-A263 PolarHBondContact O-N 3.16Å; L261-A263 PolarHBondContact O-N 3.3Å; A263-Y265 PolarHBondContact O-N 3.23Å; A263-S266 WeakPolarHBondContact O-CB 3.44Å; A263-S266 PolarHBondContact O-N 3.39Å; A263-S266 VanDerWaalsContact O-N 3.1Å; A263-L267 HydrophobicContact CB-CD1 4.5Å; A263-L267 HydrophobicContact CB-CG 4.5Å; A263-L267 WeakPolarHBondContact O-CG 3.36Å; A263-L267 PolarHBondContact O-N 3.09Å |
| 264 | A | 98 | Very high | 98 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.8 | -49 | -166.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I260 L261 S266 L267 M268 I277 L292 Q295 | I260-A264 WeakPolarHBondContact O-CA 3.47Å; I260-A264 PolarHBondContact O-N 3.23Å; L261-A264 WeakPolarHBondContact O-CB 3.36Å; L261-A264 PolarHBondContact O-N 3.25Å; A264-S266 PolarHBondContact O-N 3.05Å; A264-L267 CarbonylContact O-C 3.28Å; A264-L267 PolarHBondContact O-N 3.34Å; A264-L267 VanDerWaalsContact O-N 3.14Å; A264-M268 HydrophobicContact CB-CE 4.42Å; A264-M268 VanDerWaalsContact O-CG 3.28Å; A264-M268 WeakPolarHBondContact O-CG 3.13Å; A264-M268 PolarHBondContact O-N 3.25Å; A264-I277 HydrophobicContact CB-CD1 4.48Å; A264-L292 HydrophobicContact CB-CD2 4.14Å; A264-Q295 HydrophobicContact CB-CG 4.43Å |
| 265 | Y | 97.8 | Very high | 98 | Very high | 65 Ų | 65 | 36.4 Ų | 36.4 | 26% | 0.255 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.4 | -44.8 | 178.6 | -175 | -93.3 | 0 | 0 | 0 | 112.7 | A263 L267 M268 T269 H299 Q302 L303 | A263-Y265 PolarHBondContact O-N 3.23Å; Y265-L267 VanDerWaalsContact C-N 3.31Å; Y265-L267 PolarHBondContact O-N 3.48Å; Y265-M268 WeakPolarHBondContact O-CB 3.42Å; Y265-M268 PolarHBondContact O-N 2.71Å; Y265-T269 HydrophobicContact CE1-CG2 4.45Å; Y265-T269 PolarHBondContact O-N 3.5Å; Y265-T269 PolarHBondContact O-OG1 3.11Å; Y265-H299 HydrophobicContact CD2-CB 4.33Å; Y265-H299 HydrophobicContact CE2-CB 3.79Å; Y265-H299 AromaticContact CE2-CG 3.97Å; Y265-Q302 WeakPolarHBondContact OH-CG 3.21Å; Y265-Q302 PolarHBondContact OH-NE2 3.44Å; Y265-Q302 PolarHBondContact OH-OE1 2.57Å; Y265-L303 HydrophobicContact CD2-CD1 4.45Å; Y265-L303 HydrophobicContact CD2-CD2 4.27Å; Y265-L303 HydrophobicContact CE2-CD1 4.18Å; Y265-L303 HydrophobicContact CE2-CD2 3.72Å; Y265-L303 HydrophobicContact CE2-CG 3.88Å |
| 266 | S | 98.3 | Very high | 98.1 | Very high | 55 Ų | 55 | 33.7 Ų | 33.7 | 39% | 0.385 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58.7 | -45.6 | 176.3 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | A263 A264 M268 T269 D270 | A263-S266 WeakPolarHBondContact O-CB 3.44Å; A263-S266 PolarHBondContact O-N 3.39Å; A263-S266 VanDerWaalsContact O-N 3.1Å; A264-S266 PolarHBondContact O-N 3.05Å; S266-M268 PolarHBondContact O-N 2.84Å; S266-T269 CarbonylContact O-C 3.59Å; S266-T269 PolarHBondContact O-N 2.97Å; S266-T269 PolarHBondContact O-OG1 3.17Å; S266-D270 PolarHBondContact O-N 3.19Å; S266-D270 VanDerWaalsContact O-N 3.13Å |
| 267 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.3 | -35.2 | 178 | -65.7 | 175 | 0 | 0 | 0 | 112.9 | V229 Q233 I260 A263 A264 Y265 T269 D270 G273 N274 I277 | V229-L267 HydrophobicContact CG1-CD2 4.34Å; Q233-L267 HydrophobicContact CG-CD2 3.66Å; I260-L267 HydrophobicContact CB-CD1 3.72Å; I260-L267 HydrophobicContact CG2-CD1 3.75Å; A263-L267 HydrophobicContact CB-CD1 4.5Å; A263-L267 HydrophobicContact CB-CG 4.5Å; A263-L267 WeakPolarHBondContact O-CG 3.36Å; A263-L267 PolarHBondContact O-N 3.09Å; A264-L267 CarbonylContact O-C 3.28Å; A264-L267 PolarHBondContact O-N 3.34Å; A264-L267 VanDerWaalsContact O-N 3.14Å; Y265-L267 VanDerWaalsContact C-N 3.31Å; Y265-L267 PolarHBondContact O-N 3.48Å; L267-T269 PolarHBondContact O-N 3.09Å; L267-D270 PolarHBondContact O-N 2.93Å; L267-D270 VanDerWaalsContact O-N 3.14Å; L267-G273 CarbonylContact O-C 3.04Å; L267-N274 VanDerWaalsContact O-CA 3.25Å; L267-N274 WeakPolarHBondContact O-CA 3.46Å; L267-N274 PolarHBondContact O-N 2.9Å; L267-I277 HydrophobicContact CB-CD1 3.98Å; L267-I277 HydrophobicContact CB-CG1 3.89Å; L267-I277 HydrophobicContact CD1-CD1 4.29Å |
| 268 | M | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.7 | -33.6 | 175.4 | -68.9 | 177.5 | -173.9 | 0 | 0 | 112.2 | A264 Y265 S266 N274 I277 L292 Q295 V296 L303 Y308 G309 V312 | A264-M268 HydrophobicContact CB-CE 4.42Å; A264-M268 VanDerWaalsContact O-CG 3.28Å; A264-M268 WeakPolarHBondContact O-CG 3.13Å; A264-M268 PolarHBondContact O-N 3.25Å; Y265-M268 WeakPolarHBondContact O-CB 3.42Å; Y265-M268 PolarHBondContact O-N 2.71Å; S266-M268 PolarHBondContact O-N 2.84Å; M268-N274 WeakPolarHBondContact O-CB 3.33Å; M268-I277 HydrophobicContact CE-CG2 4.02Å; M268-I277 HydrophobicContact CG-CB 4.41Å; M268-I277 HydrophobicContact CG-CG1 4.08Å; M268-I277 HydrophobicContact CG-CG2 3.97Å; M268-L292 HydrophobicContact CE-CD2 4.34Å; M268-Q295 HydrophobicContact CE-CB 4.35Å; M268-V296 HydrophobicContact CE-CG2 3.63Å; M268-V296 HydrophobicContact SD-CG2 3.9Å; M268-L303 HydrophobicContact CB-CD2 3.97Å; M268-L303 HydrophobicContact SD-CD1 3.83Å; M268-L303 HydrophobicContact SD-CD2 4.44Å; M268-Y308 CarbonylContact O-C 3.28Å; M268-G309 WeakPolarHBondContact O-CA 3.31Å; M268-G309 PolarHBondContact O-N 3.12Å; M268-V312 HydrophobicContact CB-CG2 4.11Å; M268-V312 HydrophobicContact CG-CB 4.44Å; M268-V312 HydrophobicContact CG-CG1 3.98Å; M268-V312 HydrophobicContact CG-CG2 4.23Å; M268-V312 HydrophobicContact SD-CG1 4.27Å |
| 269 | T | 98.6 | Very high | 98.2 | Very high | 37 Ų | 37 | 33.6 Ų | 33.6 | 23% | 0.227 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 1.9 | 180 | 62.7 | 0 | 0 | 0 | 0 | 114.2 | Y265 S266 L267 L303 Q306 Y308 | Y265-T269 HydrophobicContact CE1-CG2 4.45Å; Y265-T269 PolarHBondContact O-N 3.5Å; Y265-T269 PolarHBondContact O-OG1 3.11Å; S266-T269 CarbonylContact O-C 3.59Å; S266-T269 PolarHBondContact O-N 2.97Å; S266-T269 PolarHBondContact O-OG1 3.17Å; L267-T269 PolarHBondContact O-N 3.09Å; T269-L303 HydrophobicContact CG2-CD2 3.71Å; T269-Q306 HydrophobicContact CG2-CG 4.09Å; T269-Q306 PolarHBondContact O-NE2 3.27Å; T269-Y308 VanDerWaalsContact O-CD2 3.27Å; T269-Y308 WeakPolarHBondContact O-CD2 3.29Å |
| 270 | D | 98.8 | Very high | 98.2 | Very high | 36 Ų | 36 | 31.7 Ų | 31.7 | 19% | 0.193 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -87.3 | 146.3 | -180 | -176.5 | -99.3 | 0 | 0 | 0 | 111.9 | S266 L267 F272 G273 N274 | S266-D270 PolarHBondContact O-N 3.19Å; S266-D270 VanDerWaalsContact O-N 3.13Å; L267-D270 PolarHBondContact O-N 2.93Å; L267-D270 VanDerWaalsContact O-N 3.14Å; D270-F272 PolarHBondContact O-N 3.34Å; D270-F272 WeakPolarHBondContact OD1-CA 3.4Å; D270-F272 PolarHBondContact OD1-N 3.43Å; D270-G273 PolarHBondContact OD1-N 3.13Å; D270-N274 WeakPolarHBondContact O-CB 3.5Å; D270-N274 PolarHBondContact O-N 2.98Å; D270-N274 PolarHBondContact O-ND2 3.18Å |
| 271 | V | 98.4 | Very high | 98.2 | Very high | 51 Ų | 51 | 31.7 Ų | 31.7 | 31% | 0.309 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -28.4 | -178 | 59.4 | 0 | 0 | 0 | 0 | 113.7 | N274 Y275 Y308 | V271-N274 PolarHBondContact O-ND2 3.02Å; V271-N274 VanDerWaalsContact O-ND2 3.12Å; V271-Y275 WeakPolarHBondContact O-CE2 3.49Å; V271-Y308 HydrophobicContact CB-CE1 4.01Å; V271-Y308 HydrophobicContact CB-CE2 3.81Å; V271-Y308 VanDerWaalsContact CB-CZ 3.46Å; V271-Y308 WeakPolarHBondContact CB-OH 3.2Å; V271-Y308 HydrophobicContact CG2-CE1 3.83Å; V271-Y308 HydrophobicContact CG2-CE2 4.41Å; V271-Y308 WeakPolarHBondContact CG2-OH 3.49Å |
| 272 | F | 98.6 | Very high | 98.2 | Very high | 59 Ų | 59 | 32.7 Ų | 32.7 | 26% | 0.259 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -34 | 178.5 | -52.9 | -56.1 | 0 | 0 | 0 | 112.5 | S232 Q233 Q235 S238 D270 N274 Y275 | S232-F272 CarbonylContact O-C 3.54Å; S232-F272 VanDerWaalsContact O-C 3.28Å; Q233-F272 WeakPolarHBondContact O-CD2 3.19Å; Q235-F272 HydrophobicContact CB-CD1 4.12Å; Q235-F272 HydrophobicContact CB-CD2 4.35Å; Q235-F272 HydrophobicContact CB-CE1 3.73Å; Q235-F272 HydrophobicContact CB-CE2 3.98Å; Q235-F272 HydrophobicContact CB-CG 4.42Å; Q235-F272 HydrophobicContact CB-CZ 3.66Å; Q235-F272 HydrophobicContact CG-CD1 4.19Å; Q235-F272 HydrophobicContact CG-CE1 3.69Å; Q235-F272 HydrophobicContact CG-CZ 4.03Å; S238-F272 PolarHBondContact OG-O 3.35Å; D270-F272 PolarHBondContact O-N 3.34Å; D270-F272 WeakPolarHBondContact OD1-CA 3.4Å; D270-F272 PolarHBondContact OD1-N 3.43Å; F272-N274 VanDerWaalsContact C-N 3.29Å; F272-N274 PolarHBondContact O-N 2.94Å; F272-Y275 WeakPolarHBondContact O-CD2 3.25Å; F272-Y275 PolarHBondContact O-N 3.14Å |
| 273 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.6 | -31 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S232 L267 D270 Y275 V276 I277 | S232-G273 WeakPolarHBondContact O-CA 3.45Å; S232-G273 PolarHBondContact O-N 2.98Å; L267-G273 CarbonylContact O-C 3.04Å; D270-G273 PolarHBondContact OD1-N 3.13Å; G273-Y275 PolarHBondContact O-N 3.16Å; G273-Y275 VanDerWaalsContact O-N 3.11Å; G273-V276 WeakPolarHBondContact O-CB 3.37Å; G273-V276 PolarHBondContact O-N 3.31Å; G273-I277 PolarHBondContact O-N 3.14Å |
| 274 | N | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.2 | -31.4 | -176.8 | 73.4 | 89.3 | 0 | 0 | 0 | 112.4 | L267 M268 D270 V271 F272 I277 Q278 V312 | L267-N274 VanDerWaalsContact O-CA 3.25Å; L267-N274 WeakPolarHBondContact O-CA 3.46Å; L267-N274 PolarHBondContact O-N 2.9Å; M268-N274 WeakPolarHBondContact O-CB 3.33Å; D270-N274 WeakPolarHBondContact O-CB 3.5Å; D270-N274 PolarHBondContact O-N 2.98Å; D270-N274 PolarHBondContact O-ND2 3.18Å; V271-N274 PolarHBondContact O-ND2 3.02Å; V271-N274 VanDerWaalsContact O-ND2 3.12Å; F272-N274 VanDerWaalsContact C-N 3.29Å; F272-N274 PolarHBondContact O-N 2.94Å; N274-I277 PolarHBondContact O-N 3.27Å; N274-Q278 VanDerWaalsContact O-CG 3.32Å; N274-Q278 WeakPolarHBondContact O-CG 3.38Å; N274-Q278 PolarHBondContact O-N 3.08Å; N274-Q278 PolarHBondContact O-NE2 3.34Å; N274-Q278 PolarHBondContact OD1-NE2 3.23Å; N274-V312 HydrophobicContact CB-CG2 3.98Å |
| 275 | Y | 98.8 | Very high | 98.2 | Very high | 108 Ų | 108 | 33.1 Ų | 33.1 | 42% | 0.424 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -70.2 | -32.8 | 178.1 | -62.1 | -77.6 | 0 | 0 | 0 | 112.4 | Q242 V271 F272 G273 Q278 K279 | Q242-Y275 VanDerWaalsContact CD-CB 3.42Å; Q242-Y275 VanDerWaalsContact NE2-CB 3.27Å; V271-Y275 WeakPolarHBondContact O-CE2 3.49Å; F272-Y275 WeakPolarHBondContact O-CD2 3.25Å; F272-Y275 PolarHBondContact O-N 3.14Å; G273-Y275 PolarHBondContact O-N 3.16Å; G273-Y275 VanDerWaalsContact O-N 3.11Å; Y275-Q278 PolarHBondContact O-N 2.92Å; Y275-K279 WeakPolarHBondContact O-CG 3.46Å; Y275-K279 PolarHBondContact O-N 3.26Å |
| 276 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.3 | -44.4 | 175.8 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | I241 Q242 L245 I260 G273 Q278 K279 F280 | I241-V276 HydrophobicContact CB-CG2 4.39Å; I241-V276 HydrophobicContact CG2-CG1 3.88Å; I241-V276 HydrophobicContact CG2-CG2 4.13Å; Q242-V276 HydrophobicContact CG-CG2 4.43Å; L245-V276 HydrophobicContact CD1-CG1 4.29Å; I260-V276 HydrophobicContact CD1-CG1 4.44Å; G273-V276 WeakPolarHBondContact O-CB 3.37Å; G273-V276 PolarHBondContact O-N 3.31Å; V276-Q278 PolarHBondContact O-N 3.28Å; V276-K279 PolarHBondContact O-N 3.42Å; V276-F280 HydrophobicContact CG1-CD2 4.38Å; V276-F280 HydrophobicContact CG1-CE2 4.21Å; V276-F280 WeakPolarHBondContact O-CD2 3.43Å; V276-F280 PolarHBondContact O-N 3.24Å |
| 277 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 175 | -54.9 | -58.5 | 0 | 0 | 0 | 111.2 | I260 A264 L267 M268 G273 N274 K279 F280 F281 L292 V312 | I260-I277 HydrophobicContact CD1-CD1 4.03Å; A264-I277 HydrophobicContact CB-CD1 4.48Å; L267-I277 HydrophobicContact CB-CD1 3.98Å; L267-I277 HydrophobicContact CB-CG1 3.89Å; L267-I277 HydrophobicContact CD1-CD1 4.29Å; M268-I277 HydrophobicContact CE-CG2 4.02Å; M268-I277 HydrophobicContact CG-CB 4.41Å; M268-I277 HydrophobicContact CG-CG1 4.08Å; M268-I277 HydrophobicContact CG-CG2 3.97Å; G273-I277 PolarHBondContact O-N 3.14Å; N274-I277 PolarHBondContact O-N 3.27Å; I277-K279 VanDerWaalsContact C-N 3.28Å; I277-K279 PolarHBondContact O-N 3.14Å; I277-F280 PolarHBondContact O-N 3.03Å; I277-F281 HydrophobicContact CG2-CD2 4.2Å; I277-F281 HydrophobicContact CG2-CE2 3.98Å; I277-F281 PolarHBondContact O-N 3.41Å; I277-F281 VanDerWaalsContact O-N 3.13Å; I277-L292 HydrophobicContact CG2-CD1 4.24Å; I277-L292 HydrophobicContact CG2-CD2 4.45Å; I277-V312 HydrophobicContact CB-CG1 4.47Å; I277-V312 HydrophobicContact CG2-CG1 3.69Å |
| 278 | Q | 98.7 | Very high | 97.9 | Very high | 38 Ų | 38 | 39.7 Ų | 39.7 | 18% | 0.178 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.6 | -37.9 | 175.9 | -75.4 | 175.6 | 72.2 | 0 | 0 | 112.7 | N274 Y275 V276 F280 F281 E282 V312 K315 | N274-Q278 VanDerWaalsContact O-CG 3.32Å; N274-Q278 WeakPolarHBondContact O-CG 3.38Å; N274-Q278 PolarHBondContact O-N 3.08Å; N274-Q278 PolarHBondContact O-NE2 3.34Å; N274-Q278 PolarHBondContact OD1-NE2 3.23Å; Y275-Q278 PolarHBondContact O-N 2.92Å; V276-Q278 PolarHBondContact O-N 3.28Å; Q278-F280 VanDerWaalsContact C-N 3.28Å; Q278-F280 PolarHBondContact O-N 3Å; Q278-F281 PolarHBondContact O-N 3.3Å; Q278-E282 PolarHBondContact O-N 3.33Å; Q278-V312 HydrophobicContact CG-CG2 4.27Å; Q278-K315 HydrophobicContact CB-CB 4.37Å; Q278-K315 HydrophobicContact CB-CG 4.07Å; Q278-K315 HydrophobicContact CG-CB 3.87Å; Q278-K315 HydrophobicContact CG-CG 4.13Å |
| 279 | K | 98.5 | Very high | 97.9 | Very high | 36 Ų | 36 | 41.6 Ų | 41.6 | 16% | 0.157 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.6 | -29.3 | 176 | -75.9 | -70.7 | 170 | -169 | 0 | 113 | Q242 L245 E246 Y275 V276 I277 E282 F283 | Q242-K279 HydrophobicContact CB-CG 4.25Å; Q242-K279 HydrophobicContact CG-CG 4.07Å; L245-K279 HydrophobicContact CD1-CB 4Å; E246-K279 IonicContact OE1-NZ 3.59Å; E246-K279 PolarHBondContact OE1-NZ 2.89Å; Y275-K279 WeakPolarHBondContact O-CG 3.46Å; Y275-K279 PolarHBondContact O-N 3.26Å; V276-K279 PolarHBondContact O-N 3.42Å; I277-K279 VanDerWaalsContact C-N 3.28Å; I277-K279 PolarHBondContact O-N 3.14Å; K279-E282 IonicContact NZ-OE2 3.85Å; K279-E282 PolarHBondContact NZ-OE2 3.03Å; K279-E282 PolarHBondContact O-N 2.81Å; K279-F283 HydrophobicContact CD-CD2 3.78Å; K279-F283 HydrophobicContact CD-CE2 3.6Å; K279-F283 PolarHBondContact O-N 3.39Å |
| 280 | F | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -74.2 | -34.9 | 171.2 | -82.8 | -78 | 0 | 0 | 0 | 112.9 | L245 K253 V256 F257 I260 V276 I277 Q278 E282 G284 L292 | L245-F280 HydrophobicContact CD1-CD2 4.21Å; L245-F280 HydrophobicContact CD1-CE2 3.76Å; L245-F280 HydrophobicContact CD1-CZ 4.27Å; L245-F280 HydrophobicContact CD2-CE1 4.35Å; L245-F280 HydrophobicContact CD2-CE2 4.11Å; L245-F280 HydrophobicContact CD2-CZ 3.75Å; K253-F280 HydrophobicContact CB-CE1 4.28Å; V256-F280 HydrophobicContact CB-CZ 3.99Å; V256-F280 HydrophobicContact CG1-CE2 3.78Å; V256-F280 HydrophobicContact CG1-CZ 3.74Å; F257-F280 HydrophobicContact CB-CD1 4.47Å; F257-F280 HydrophobicContact CB-CE1 3.72Å; F257-F280 HydrophobicContact CB-CZ 3.94Å; F257-F280 AromaticContact CD2-CD1 3.55Å; F257-F280 HydrophobicContact CD2-CD1 3.55Å; F257-F280 AromaticContact CD2-CE1 3.67Å; F257-F280 HydrophobicContact CD2-CE1 3.67Å; F257-F280 AromaticContact CD2-CG 3.99Å; F257-F280 HydrophobicContact CD2-CG 3.99Å; F257-F280 HydrophobicContact CD2-CZ 4.21Å; F257-F280 HydrophobicContact CE2-CD1 4.27Å; F257-F280 HydrophobicContact CG-CD1 4.44Å; F257-F280 HydrophobicContact CG-CE1 4.16Å; I260-F280 HydrophobicContact CD1-CD2 3.37Å; I260-F280 HydrophobicContact CD1-CE2 3.3Å; I260-F280 HydrophobicContact CD1-CG 4.25Å; I260-F280 HydrophobicContact CD1-CZ 4.13Å; I260-F280 HydrophobicContact CG1-CE2 4.43Å; V276-F280 HydrophobicContact CG1-CD2 4.38Å; V276-F280 HydrophobicContact CG1-CE2 4.21Å; V276-F280 WeakPolarHBondContact O-CD2 3.43Å; V276-F280 PolarHBondContact O-N 3.24Å; I277-F280 PolarHBondContact O-N 3.03Å; Q278-F280 VanDerWaalsContact C-N 3.28Å; Q278-F280 PolarHBondContact O-N 3Å; F280-E282 VanDerWaalsContact C-N 3.27Å; F280-E282 PolarHBondContact O-N 3.15Å; F280-G284 WeakPolarHBondContact O-CA 3.46Å; F280-G284 PolarHBondContact O-N 3Å; F280-L292 HydrophobicContact CB-CD1 3.58Å |
| 281 | F | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -34.6 | 168.4 | -79.5 | -62.8 | 0 | 0 | 0 | 112.1 | I277 Q278 K289 L292 V296 V312 K315 A316 S319 I320 | I277-F281 HydrophobicContact CG2-CD2 4.2Å; I277-F281 HydrophobicContact CG2-CE2 3.98Å; I277-F281 PolarHBondContact O-N 3.41Å; I277-F281 VanDerWaalsContact O-N 3.13Å; Q278-F281 PolarHBondContact O-N 3.3Å; F281-K289 HydrophobicContact CD1-CB 4.47Å; F281-K289 WeakPolarHBondContact O-CD 3.22Å; F281-K289 WeakPolarHBondContact O-CE 3.43Å; F281-K289 PolarHBondContact O-NZ 2.94Å; F281-L292 HydrophobicContact CE1-CB 3.96Å; F281-L292 HydrophobicContact CE2-CB 4.16Å; F281-L292 HydrophobicContact CE2-CD1 4.35Å; F281-L292 HydrophobicContact CZ-CB 3.59Å; F281-L292 HydrophobicContact CZ-CD1 4.47Å; F281-V296 HydrophobicContact CZ-CG2 4.46Å; F281-V312 HydrophobicContact CD2-CG1 4.14Å; F281-V312 HydrophobicContact CE2-CG1 3.7Å; F281-K315 HydrophobicContact CB-CG 3.98Å; F281-A316 HydrophobicContact CD1-CB 4.05Å; F281-A316 HydrophobicContact CD2-CB 4.17Å; F281-A316 HydrophobicContact CE1-CB 3.73Å; F281-A316 HydrophobicContact CE2-CB 3.84Å; F281-A316 HydrophobicContact CG-CB 4.27Å; F281-A316 HydrophobicContact CZ-CB 3.6Å; F281-S319 WeakPolarHBondContact O-CB 3.26Å; F281-S319 PolarHBondContact O-OG 2.95Å; F281-I320 HydrophobicContact CD1-CG2 3.92Å; F281-I320 HydrophobicContact CE1-CG2 3.74Å |
| 282 | E | 97.4 | Very high | 97.5 | Very high | 71 Ų | 71 | 41.1 Ų | 41.1 | 33% | 0.332 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -75.3 | -54.7 | 179.1 | -168.5 | 161.1 | -122 | 0 | 0 | 112.9 | Q278 K279 F280 K289 K315 | Q278-E282 PolarHBondContact O-N 3.33Å; K279-E282 IonicContact NZ-OE2 3.85Å; K279-E282 PolarHBondContact NZ-OE2 3.03Å; K279-E282 PolarHBondContact O-N 2.81Å; F280-E282 VanDerWaalsContact C-N 3.27Å; F280-E282 PolarHBondContact O-N 3.15Å; E282-K289 PolarHBondContact O-NZ 3.04Å; E282-K315 IonicContact OE1-NZ 3.5Å; E282-K315 PolarHBondContact OE1-NZ 2.77Å |
| 283 | F | 96.4 | Very high | 97.3 | Very high | 77 Ų | 77 | 38.7 Ų | 38.7 | 34% | 0.338 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -116.9 | 0.8 | -168.1 | -56.9 | -69.2 | 0 | 0 | 0 | 115 | E246 K253 K279 | E246-F283 HydrophobicContact CG-CD2 4.22Å; E246-F283 HydrophobicContact CG-CE2 3.67Å; E246-F283 HydrophobicContact CG-CZ 4.08Å; K253-F283 PolarHBondContact NZ-O 2.94Å; K279-F283 HydrophobicContact CD-CD2 3.78Å; K279-F283 HydrophobicContact CD-CE2 3.6Å; K279-F283 PolarHBondContact O-N 3.39Å |
| 284 | G | 96.8 | Very high | 96.9 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -69.8 | 160.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F280 Q288 K289 | F280-G284 WeakPolarHBondContact O-CA 3.46Å; F280-G284 PolarHBondContact O-N 3Å; G284-Q288 VanDerWaalsContact CA-OE1 3.24Å; G284-K289 WeakPolarHBondContact O-CE 3.25Å |
| 285 | T | 96.1 | Very high | 96.6 | Very high | 50 Ų | 50 | 47 Ų | 47 | 31% | 0.307 | 24% | 0.238 | S | C | . | . | trans | -66.5 | 158.9 | 172.6 | 65.8 | 0 | 0 | 0 | 0 | 110.5 | E287 Q288 K289 | T285-E287 PolarHBondContact O-N 3.21Å; T285-Q288 PolarHBondContact O-N 3.3Å; T285-Q288 VanDerWaalsContact OG1-CG 3.29Å; T285-Q288 WeakPolarHBondContact OG1-CG 3.26Å; T285-Q288 PolarHBondContact OG1-N 3.02Å; T285-K289 WeakPolarHBondContact O-CG 3.26Å; T285-K289 PolarHBondContact O-N 3.46Å | ||
| 286 | P | 95.2 | Very high | 96.4 | Very high | 113 Ų | 113 | 41.9 Ų | 41.9 | 73% | 0.734 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -51.8 | -38.4 | 174.4 | -28.1 | 35.9 | 0 | 0 | 0 | 113.2 | K289 N290 | P286-K289 PolarHBondContact O-N 3.5Å; P286-N290 VanDerWaalsContact O-CB 3.27Å; P286-N290 WeakPolarHBondContact O-CB 3.41Å; P286-N290 PolarHBondContact O-N 3.15Å |
| 287 | E | 96.3 | Very high | 96 | Very high | 142 Ų | 142 | 46.5 Ų | 46.5 | 66% | 0.664 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64.8 | -42.4 | 176.2 | -174.2 | -179.3 | -175.6 | 0 | 0 | 112.9 | T285 N290 T291 | T285-E287 PolarHBondContact O-N 3.21Å; E287-N290 PolarHBondContact O-N 2.85Å; E287-T291 WeakPolarHBondContact O-CB 3.36Å; E287-T291 PolarHBondContact O-N 2.89Å; E287-T291 PolarHBondContact O-OG1 3.04Å |
| 288 | Q | 97.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 176.5 | -72.6 | 168.8 | -12 | 0 | 0 | 111.4 | F257 G284 T285 T291 L292 | F257-Q288 HydrophobicContact CD1-CG 3.9Å; F257-Q288 HydrophobicContact CD2-CB 3.98Å; F257-Q288 HydrophobicContact CD2-CG 3.85Å; F257-Q288 HydrophobicContact CE1-CB 4.33Å; F257-Q288 HydrophobicContact CE1-CG 4.02Å; F257-Q288 HydrophobicContact CE2-CB 3.65Å; F257-Q288 HydrophobicContact CE2-CG 3.95Å; F257-Q288 HydrophobicContact CG-CB 4.43Å; F257-Q288 HydrophobicContact CG-CG 3.82Å; F257-Q288 HydrophobicContact CZ-CB 3.86Å; F257-Q288 HydrophobicContact CZ-CG 4.04Å; F257-Q288 WeakPolarHBondContact CZ-O 3.43Å; G284-Q288 VanDerWaalsContact CA-OE1 3.24Å; T285-Q288 PolarHBondContact O-N 3.3Å; T285-Q288 VanDerWaalsContact OG1-CG 3.29Å; T285-Q288 WeakPolarHBondContact OG1-CG 3.26Å; T285-Q288 PolarHBondContact OG1-N 3.02Å; Q288-T291 PolarHBondContact O-N 3.25Å; Q288-L292 PolarHBondContact O-N 3.46Å |
| 289 | K | 97.3 | Very high | 95.6 | Very high | 39 Ų | 39 | 51.4 Ų | 51.4 | 17% | 0.17 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.1 | -62.5 | -172.4 | -166 | -158.5 | 0 | 111.1 | F281 E282 G284 T285 P286 T291 L292 G293 S319 | F281-K289 HydrophobicContact CD1-CB 4.47Å; F281-K289 WeakPolarHBondContact O-CD 3.22Å; F281-K289 WeakPolarHBondContact O-CE 3.43Å; F281-K289 PolarHBondContact O-NZ 2.94Å; E282-K289 PolarHBondContact O-NZ 3.04Å; G284-K289 WeakPolarHBondContact O-CE 3.25Å; T285-K289 WeakPolarHBondContact O-CG 3.26Å; T285-K289 PolarHBondContact O-N 3.46Å; P286-K289 PolarHBondContact O-N 3.5Å; K289-T291 VanDerWaalsContact C-N 3.35Å; K289-T291 PolarHBondContact O-N 3.41Å; K289-L292 PolarHBondContact O-N 3.3Å; K289-G293 PolarHBondContact O-N 2.83Å; K289-S319 WeakPolarHBondContact CD-O 3.36Å |
| 290 | N | 94.6 | Very high | 95.6 | Very high | 74 Ų | 74 | 49.7 Ų | 49.7 | 40% | 0.396 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 177 | -177.9 | 61.2 | 0 | 0 | 0 | 111.6 | P286 E287 L292 G293 M294 Q324 | P286-N290 VanDerWaalsContact O-CB 3.27Å; P286-N290 WeakPolarHBondContact O-CB 3.41Å; P286-N290 PolarHBondContact O-N 3.15Å; E287-N290 PolarHBondContact O-N 2.85Å; N290-L292 PolarHBondContact O-N 3.43Å; N290-G293 WeakPolarHBondContact O-CA 3.46Å; N290-G293 PolarHBondContact O-N 3.32Å; N290-G293 VanDerWaalsContact O-N 3.16Å; N290-M294 WeakPolarHBondContact O-CG 3.29Å; N290-M294 PolarHBondContact O-N 3.47Å; N290-Q324 PolarHBondContact OD1-NE2 3.26Å |
| 291 | T | 96.6 | Very high | 95.6 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 25% | 0.245 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 178.7 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | F257 L261 E287 Q288 K289 M294 Q295 | F257-T291 HydrophobicContact CE1-CG2 4.1Å; F257-T291 HydrophobicContact CZ-CG2 4.07Å; L261-T291 HydrophobicContact CD1-CG2 3.73Å; L261-T291 HydrophobicContact CD2-CG2 3.9Å; L261-T291 HydrophobicContact CG-CG2 4.5Å; E287-T291 WeakPolarHBondContact O-CB 3.36Å; E287-T291 PolarHBondContact O-N 2.89Å; E287-T291 PolarHBondContact O-OG1 3.04Å; Q288-T291 PolarHBondContact O-N 3.25Å; K289-T291 VanDerWaalsContact C-N 3.35Å; K289-T291 PolarHBondContact O-N 3.41Å; T291-M294 PolarHBondContact O-N 3.47Å; T291-Q295 PolarHBondContact O-N 2.67Å |
| 292 | L | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.9 | -37.2 | 172.7 | -73.9 | 174.5 | 0 | 0 | 0 | 112.4 | F257 A264 M268 I277 F280 F281 Q288 K289 N290 M294 Q295 V296 | F257-L292 HydrophobicContact CE2-CD1 3.88Å; F257-L292 HydrophobicContact CE2-CD2 4.17Å; F257-L292 HydrophobicContact CE2-CG 3.7Å; F257-L292 HydrophobicContact CZ-CD2 4.49Å; F257-L292 HydrophobicContact CZ-CG 4.06Å; A264-L292 HydrophobicContact CB-CD2 4.14Å; M268-L292 HydrophobicContact CE-CD2 4.34Å; I277-L292 HydrophobicContact CG2-CD1 4.24Å; I277-L292 HydrophobicContact CG2-CD2 4.45Å; F280-L292 HydrophobicContact CB-CD1 3.58Å; F281-L292 HydrophobicContact CE1-CB 3.96Å; F281-L292 HydrophobicContact CE2-CB 4.16Å; F281-L292 HydrophobicContact CE2-CD1 4.35Å; F281-L292 HydrophobicContact CZ-CB 3.59Å; F281-L292 HydrophobicContact CZ-CD1 4.47Å; Q288-L292 PolarHBondContact O-N 3.46Å; K289-L292 PolarHBondContact O-N 3.3Å; N290-L292 PolarHBondContact O-N 3.43Å; L292-M294 VanDerWaalsContact C-N 3.26Å; L292-M294 PolarHBondContact O-N 3.08Å; L292-Q295 WeakPolarHBondContact O-CB 3.37Å; L292-Q295 PolarHBondContact O-N 3.11Å; L292-V296 WeakPolarHBondContact O-CG2 3.31Å; L292-V296 PolarHBondContact O-N 3.34Å |
| 293 | G | 93.2 | Very high | 95.7 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 8% | 0.082 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.1 | -42.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K289 N290 Q295 V296 K297 | K289-G293 PolarHBondContact O-N 2.83Å; N290-G293 WeakPolarHBondContact O-CA 3.46Å; N290-G293 PolarHBondContact O-N 3.32Å; N290-G293 VanDerWaalsContact O-N 3.16Å; G293-Q295 VanDerWaalsContact C-N 3.31Å; G293-Q295 PolarHBondContact O-N 3.38Å; G293-V296 WeakPolarHBondContact O-CB 3.23Å; G293-V296 PolarHBondContact O-N 2.94Å; G293-V296 VanDerWaalsContact O-N 3.13Å; G293-K297 PolarHBondContact O-N 3.17Å; G293-K297 VanDerWaalsContact O-N 3.11Å |
| 294 | M | 90.3 | Very high | 95.8 | Very high | 99 Ų | 99 | 49.9 Ų | 49.9 | 49% | 0.488 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.7 | -29.5 | 174.7 | -66.2 | -59.4 | -65.8 | 0 | 0 | 113.6 | N290 T291 L292 V296 K297 | N290-M294 WeakPolarHBondContact O-CG 3.29Å; N290-M294 PolarHBondContact O-N 3.47Å; T291-M294 PolarHBondContact O-N 3.47Å; L292-M294 VanDerWaalsContact C-N 3.26Å; L292-M294 PolarHBondContact O-N 3.08Å; M294-V296 VanDerWaalsContact C-N 3.34Å; M294-K297 HydrophobicContact CE-CD 4.4Å; M294-K297 HydrophobicContact SD-CD 4.43Å |
| 295 | Q | 93.4 | Very high | 95.9 | Very high | 78 Ų | 78 | 51.3 Ų | 51.3 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -74.7 | -24.7 | 173.4 | -68 | -64.7 | -59 | 0 | 0 | 113 | L261 A264 M268 T291 L292 G293 | L261-Q295 HydrophobicContact CD1-CG 3.86Å; A264-Q295 HydrophobicContact CB-CG 4.43Å; M268-Q295 HydrophobicContact CE-CB 4.35Å; T291-Q295 PolarHBondContact O-N 2.67Å; L292-Q295 WeakPolarHBondContact O-CB 3.37Å; L292-Q295 PolarHBondContact O-N 3.11Å; G293-Q295 VanDerWaalsContact C-N 3.31Å; G293-Q295 PolarHBondContact O-N 3.38Å |
| 296 | V | 93.8 | Very high | 96 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -77.5 | -33.2 | 175.1 | 168.7 | 0 | 0 | 0 | 0 | 111.2 | M268 F281 L292 G293 M294 G298 H299 V300 L303 I313 I328 | M268-V296 HydrophobicContact CE-CG2 3.63Å; M268-V296 HydrophobicContact SD-CG2 3.9Å; F281-V296 HydrophobicContact CZ-CG2 4.46Å; L292-V296 WeakPolarHBondContact O-CG2 3.31Å; L292-V296 PolarHBondContact O-N 3.34Å; G293-V296 WeakPolarHBondContact O-CB 3.23Å; G293-V296 PolarHBondContact O-N 2.94Å; G293-V296 VanDerWaalsContact O-N 3.13Å; M294-V296 VanDerWaalsContact C-N 3.34Å; V296-G298 PolarHBondContact O-N 3.41Å; V296-H299 CarbonylContact O-C 3.42Å; V296-H299 WeakPolarHBondContact O-CA 3.44Å; V296-H299 PolarHBondContact O-N 3.16Å; V296-V300 HydrophobicContact CG1-CG2 3.74Å; V296-V300 PolarHBondContact O-N 3.33Å; V296-L303 HydrophobicContact CG1-CD1 4.3Å; V296-L303 HydrophobicContact CG2-CD1 4.34Å; V296-I313 HydrophobicContact CG1-CD1 3.34Å; V296-I313 HydrophobicContact CG2-CD1 4.37Å; V296-I328 HydrophobicContact CG1-CD1 4.15Å; V296-I328 HydrophobicContact CG1-CG1 4.37Å |
| 297 | K | 89.9 | Confident | 96.1 | Very high | 97 Ų | 97 | 51 Ų | 51 | 42% | 0.422 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 134.2 | -178.8 | -169 | 171.5 | -174.2 | 159.9 | 0 | 111.9 | G293 M294 H299 E327 E331 | G293-K297 PolarHBondContact O-N 3.17Å; G293-K297 VanDerWaalsContact O-N 3.11Å; M294-K297 HydrophobicContact CE-CD 4.4Å; M294-K297 HydrophobicContact SD-CD 4.43Å; K297-H299 PolarHBondContact O-N 2.8Å; K297-E327 IonicContact NZ-OE2 2.77Å; K297-E327 PolarHBondContact NZ-OE2 3.04Å; K297-E331 VanDerWaalsContact CA-OE1 3.31Å; K297-E331 WeakPolarHBondContact CA-OE1 3.3Å |
| 298 | G | 93.9 | Very high | 96.2 | Very high | 57 Ų | 57 | 47 Ų | 47 | 59% | 0.588 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | -5.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V296 E331 | V296-G298 PolarHBondContact O-N 3.41Å; G298-E331 VanDerWaalsContact CA-OE2 3.29Å; G298-E331 WeakPolarHBondContact CA-OE2 3.25Å; G298-E331 PolarHBondContact N-OE1 3.19Å; G298-E331 PolarHBondContact N-OE2 3.33Å; G298-E331 VanDerWaalsContact N-OE2 3.08Å |
| 299 | H | 97.1 | Very high | 96.2 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 38% | 0.384 | 24% | 0.242 | S | C | . | . | trans | -127.4 | 9.2 | -176.6 | -58.3 | -65.5 | 0 | 0 | 0 | 113.3 | Y265 V296 K297 L301 Q302 L303 E331 | Y265-H299 HydrophobicContact CD2-CB 4.33Å; Y265-H299 HydrophobicContact CE2-CB 3.79Å; Y265-H299 AromaticContact CE2-CG 3.97Å; V296-H299 CarbonylContact O-C 3.42Å; V296-H299 WeakPolarHBondContact O-CA 3.44Å; V296-H299 PolarHBondContact O-N 3.16Å; K297-H299 PolarHBondContact O-N 2.8Å; H299-L301 PolarHBondContact O-N 2.84Å; H299-Q302 PolarHBondContact O-N 3.23Å; H299-L303 HydrophobicContact CB-CD1 4.29Å; H299-L303 WeakPolarHBondContact O-CG 2.95Å; H299-L303 PolarHBondContact O-N 2.98Å; H299-E331 PolarHBondContact N-OE2 2.89Å | ||
| 300 | V | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.4 | -48.4 | -171.7 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | V296 Q302 L303 A304 I328 E331 L332 | V296-V300 HydrophobicContact CG1-CG2 3.74Å; V296-V300 PolarHBondContact O-N 3.33Å; V300-Q302 VanDerWaalsContact C-N 3.31Å; V300-Q302 PolarHBondContact O-N 3.11Å; V300-L303 PolarHBondContact O-N 3.46Å; V300-A304 VanDerWaalsContact O-CB 3.26Å; V300-A304 WeakPolarHBondContact O-CB 3.12Å; V300-A304 PolarHBondContact O-N 3.43Å; V300-I328 HydrophobicContact CG1-CG2 3.76Å; V300-I328 HydrophobicContact CG2-CB 4.29Å; V300-I328 HydrophobicContact CG2-CG1 4.31Å; V300-I328 HydrophobicContact CG2-CG2 3.92Å; V300-E331 HydrophobicContact CB-CB 3.76Å; V300-E331 HydrophobicContact CB-CG 4.41Å; V300-E331 WeakPolarHBondContact CB-OE2 3.47Å; V300-E331 HydrophobicContact CG1-CB 4.37Å; V300-E331 HydrophobicContact CG2-CB 4.03Å; V300-E331 VanDerWaalsContact CG2-CD 3.41Å; V300-E331 HydrophobicContact CG2-CG 4.21Å; V300-E331 VanDerWaalsContact CG2-OE2 3.3Å; V300-E331 WeakPolarHBondContact CG2-OE2 3.43Å; V300-E331 PolarHBondContact N-OE2 2.98Å; V300-E331 VanDerWaalsContact N-OE2 3.12Å; V300-L332 HydrophobicContact CG1-CD2 3.83Å; V300-L332 HydrophobicContact CG1-CG 4.12Å |
| 301 | L | 98.3 | Very high | 96.5 | Very high | 36 Ų | 36 | 47.6 Ų | 47.6 | 19% | 0.188 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | -179.8 | 178.3 | 64 | 0 | 0 | 0 | 111.7 | H299 A304 L305 L332 H335 C339 | H299-L301 PolarHBondContact O-N 2.84Å; L301-A304 PolarHBondContact O-N 2.91Å; L301-L305 HydrophobicContact CD1-CD1 3.99Å; L301-L305 HydrophobicContact CD1-CG 4.31Å; L301-L305 HydrophobicContact CG-CD1 4.25Å; L301-L305 WeakPolarHBondContact O-CG 3.49Å; L301-L305 PolarHBondContact O-N 3.28Å; L301-L332 HydrophobicContact CD1-CD2 4.4Å; L301-H335 HydrophobicContact CD1-CB 3.82Å; L301-H335 HydrophobicContact CD2-CB 4.24Å; L301-C339 VanDerWaalsContact CD1-SG 3.52Å |
| 302 | Q | 98.5 | Very high | 96.6 | Very high | 118 Ų | 118 | 45.7 Ų | 45.7 | 55% | 0.551 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -65.5 | -43.7 | -179.4 | -173.6 | 173.5 | -2.4 | 0 | 0 | 111.1 | Y265 H299 V300 Q306 | Y265-Q302 WeakPolarHBondContact OH-CG 3.21Å; Y265-Q302 PolarHBondContact OH-NE2 3.44Å; Y265-Q302 PolarHBondContact OH-OE1 2.57Å; H299-Q302 PolarHBondContact O-N 3.23Å; V300-Q302 VanDerWaalsContact C-N 3.31Å; V300-Q302 PolarHBondContact O-N 3.11Å; Q302-Q306 PolarHBondContact O-N 2.86Å |
| 303 | L | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.5 | -39.5 | 176.8 | -70.3 | 170.7 | 0 | 0 | 0 | 111.9 | Y265 M268 T269 V296 H299 V300 L305 Q306 G309 C310 I313 | Y265-L303 HydrophobicContact CD2-CD1 4.45Å; Y265-L303 HydrophobicContact CD2-CD2 4.27Å; Y265-L303 HydrophobicContact CE2-CD1 4.18Å; Y265-L303 HydrophobicContact CE2-CD2 3.72Å; Y265-L303 HydrophobicContact CE2-CG 3.88Å; M268-L303 HydrophobicContact CB-CD2 3.97Å; M268-L303 HydrophobicContact SD-CD1 3.83Å; M268-L303 HydrophobicContact SD-CD2 4.44Å; T269-L303 HydrophobicContact CG2-CD2 3.71Å; V296-L303 HydrophobicContact CG1-CD1 4.3Å; V296-L303 HydrophobicContact CG2-CD1 4.34Å; H299-L303 HydrophobicContact CB-CD1 4.29Å; H299-L303 WeakPolarHBondContact O-CG 2.95Å; H299-L303 PolarHBondContact O-N 2.98Å; V300-L303 PolarHBondContact O-N 3.46Å; L303-L305 VanDerWaalsContact C-N 3.27Å; L303-L305 PolarHBondContact O-N 3.05Å; L303-Q306 PolarHBondContact O-N 3.06Å; L303-G309 CarbonylContact O-C 3.6Å; L303-C310 PolarHBondContact O-N 3.38Å; L303-I313 HydrophobicContact CB-CD1 3.88Å; L303-I313 HydrophobicContact CB-CG1 3.75Å; L303-I313 HydrophobicContact CD1-CD1 3.93Å |
| 304 | A | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.9 | -34.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | V300 L301 Q306 C310 L332 N344 G345 V348 | V300-A304 VanDerWaalsContact O-CB 3.26Å; V300-A304 WeakPolarHBondContact O-CB 3.12Å; V300-A304 PolarHBondContact O-N 3.43Å; L301-A304 PolarHBondContact O-N 2.91Å; A304-Q306 VanDerWaalsContact C-N 3.35Å; A304-C310 WeakPolarHBondContact O-CB 3.25Å; A304-L332 HydrophobicContact CB-CD2 4.39Å; A304-N344 CarbonylContact O-C 3.59Å; A304-N344 WeakPolarHBondContact O-CB 3.17Å; A304-G345 WeakPolarHBondContact O-CA 3.5Å; A304-G345 PolarHBondContact O-N 2.7Å; A304-V348 HydrophobicContact CB-CB 4.21Å; A304-V348 HydrophobicContact CB-CG1 4.18Å; A304-V348 HydrophobicContact CB-CG2 3.92Å |
| 305 | L | 98.6 | Very high | 97.3 | Very high | 40 Ų | 40 | 43.5 Ų | 43.5 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -6.8 | 177.5 | -59.8 | 175.8 | 0 | 0 | 0 | 113.1 | L301 L303 K338 D342 N344 | L301-L305 HydrophobicContact CD1-CD1 3.99Å; L301-L305 HydrophobicContact CD1-CG 4.31Å; L301-L305 HydrophobicContact CG-CD1 4.25Å; L301-L305 WeakPolarHBondContact O-CG 3.49Å; L301-L305 PolarHBondContact O-N 3.28Å; L303-L305 VanDerWaalsContact C-N 3.27Å; L303-L305 PolarHBondContact O-N 3.05Å; L305-K338 HydrophobicContact CD1-CD 4.23Å; L305-D342 HydrophobicContact CD2-CB 3.53Å; L305-D342 VanDerWaalsContact CD2-CG 3.46Å; L305-N344 PolarHBondContact O-ND2 2.99Å |
| 306 | Q | 98.6 | Very high | 97.5 | Very high | 53 Ų | 53 | 39.8 Ų | 39.8 | 25% | 0.248 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -94.6 | 138.7 | -178.9 | -155.9 | -80.7 | -20.6 | 0 | 0 | 111.2 | T269 Q302 L303 A304 Y308 G309 C310 | T269-Q306 HydrophobicContact CG2-CG 4.09Å; T269-Q306 PolarHBondContact O-NE2 3.27Å; Q302-Q306 PolarHBondContact O-N 2.86Å; L303-Q306 PolarHBondContact O-N 3.06Å; A304-Q306 VanDerWaalsContact C-N 3.35Å; Q306-Y308 VanDerWaalsContact C-N 3.3Å; Q306-Y308 PolarHBondContact O-N 2.89Å; Q306-G309 PolarHBondContact O-N 3.01Å; Q306-C310 VanDerWaalsContact O-CB 3.27Å; Q306-C310 WeakPolarHBondContact O-CB 3.41Å; Q306-C310 PolarHBondContact O-N 3.48Å; Q306-C310 PolarHBondContact O-SG 3.2Å |
| 307 | M | 97.8 | Very high | 97.7 | Very high | 103 Ų | 103 | 39.8 Ų | 39.8 | 51% | 0.507 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -30.7 | -170 | -175.3 | 170.7 | 65.5 | 0 | 0 | 115.4 | C310 N344 | M307-C310 PolarHBondContact O-SG 3.08Å; M307-N344 PolarHBondContact N-ND2 3.49Å |
| 308 | Y | 98.6 | Very high | 98.1 | Very high | 60 Ų | 60 | 39.7 Ų | 39.7 | 24% | 0.235 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -38.6 | 178.1 | -51.1 | -62.8 | 0 | 0 | 0 | 111.7 | M268 T269 V271 Q306 C310 R311 V312 | M268-Y308 CarbonylContact O-C 3.28Å; T269-Y308 VanDerWaalsContact O-CD2 3.27Å; T269-Y308 WeakPolarHBondContact O-CD2 3.29Å; V271-Y308 HydrophobicContact CB-CE1 4.01Å; V271-Y308 HydrophobicContact CB-CE2 3.81Å; V271-Y308 VanDerWaalsContact CB-CZ 3.46Å; V271-Y308 WeakPolarHBondContact CB-OH 3.2Å; V271-Y308 HydrophobicContact CG2-CE1 3.83Å; V271-Y308 HydrophobicContact CG2-CE2 4.41Å; V271-Y308 WeakPolarHBondContact CG2-OH 3.49Å; Q306-Y308 VanDerWaalsContact C-N 3.3Å; Q306-Y308 PolarHBondContact O-N 2.89Å; Y308-C310 VanDerWaalsContact C-N 3.27Å; Y308-C310 PolarHBondContact O-N 3Å; Y308-R311 VanDerWaalsContact O-CB 3.25Å; Y308-R311 WeakPolarHBondContact O-CB 3.21Å; Y308-R311 PolarHBondContact O-N 3.22Å; Y308-V312 PolarHBondContact O-N 2.88Å |
| 309 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.7 | -37.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M268 L303 Q306 R311 V312 I313 | M268-G309 WeakPolarHBondContact O-CA 3.31Å; M268-G309 PolarHBondContact O-N 3.12Å; L303-G309 CarbonylContact O-C 3.6Å; Q306-G309 PolarHBondContact O-N 3.01Å; G309-R311 PolarHBondContact O-N 3.32Å; G309-V312 WeakPolarHBondContact O-CA 3.29Å; G309-V312 WeakPolarHBondContact O-CB 3.36Å; G309-V312 PolarHBondContact O-N 3.09Å; G309-I313 WeakPolarHBondContact O-CG1 3.38Å; G309-I313 PolarHBondContact O-N 3.25Å |
| 310 | C | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.9 | -31.3 | 177.3 | 76.4 | 0 | 0 | 0 | 0 | 111.9 | L303 A304 Q306 M307 Y308 Q314 N344 V348 | L303-C310 PolarHBondContact O-N 3.38Å; A304-C310 WeakPolarHBondContact O-CB 3.25Å; Q306-C310 VanDerWaalsContact O-CB 3.27Å; Q306-C310 WeakPolarHBondContact O-CB 3.41Å; Q306-C310 PolarHBondContact O-N 3.48Å; Q306-C310 PolarHBondContact O-SG 3.2Å; M307-C310 PolarHBondContact O-SG 3.08Å; Y308-C310 VanDerWaalsContact C-N 3.27Å; Y308-C310 PolarHBondContact O-N 3Å; C310-Q314 WeakPolarHBondContact O-CB 3.37Å; C310-Q314 VanDerWaalsContact O-CG 3.25Å; C310-Q314 WeakPolarHBondContact O-CG 2.91Å; C310-Q314 PolarHBondContact O-N 3.27Å; C310-Q314 PolarHBondContact O-NE2 3.39Å; C310-N344 HydrophobicContact CB-CB 3.93Å; C310-V348 HydrophobicContact CB-CG2 3.9Å |
| 311 | R | 98.7 | Very high | 97.8 | Very high | 125 Ų | 125 | 37.1 Ų | 37.1 | 47% | 0.472 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -70 | -39.2 | 176 | -56.6 | -64.5 | -175.3 | 174.8 | -0.7 | 111 | Y308 G309 Q314 K315 | Y308-R311 VanDerWaalsContact O-CB 3.25Å; Y308-R311 WeakPolarHBondContact O-CB 3.21Å; Y308-R311 PolarHBondContact O-N 3.22Å; G309-R311 PolarHBondContact O-N 3.32Å; R311-Q314 PolarHBondContact O-N 3.23Å; R311-K315 PolarHBondContact O-N 3.13Å |
| 312 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.7 | -47.1 | 174.9 | -176.9 | 0 | 0 | 0 | 0 | 110.8 | M268 N274 I277 Q278 F281 Y308 G309 Q314 K315 A316 | M268-V312 HydrophobicContact CB-CG2 4.11Å; M268-V312 HydrophobicContact CG-CB 4.44Å; M268-V312 HydrophobicContact CG-CG1 3.98Å; M268-V312 HydrophobicContact CG-CG2 4.23Å; M268-V312 HydrophobicContact SD-CG1 4.27Å; N274-V312 HydrophobicContact CB-CG2 3.98Å; I277-V312 HydrophobicContact CB-CG1 4.47Å; I277-V312 HydrophobicContact CG2-CG1 3.69Å; Q278-V312 HydrophobicContact CG-CG2 4.27Å; F281-V312 HydrophobicContact CD2-CG1 4.14Å; F281-V312 HydrophobicContact CE2-CG1 3.7Å; Y308-V312 PolarHBondContact O-N 2.88Å; G309-V312 WeakPolarHBondContact O-CA 3.29Å; G309-V312 WeakPolarHBondContact O-CB 3.36Å; G309-V312 PolarHBondContact O-N 3.09Å; V312-Q314 VanDerWaalsContact C-N 3.32Å; V312-Q314 PolarHBondContact O-N 3.25Å; V312-K315 PolarHBondContact O-N 3.04Å; V312-A316 WeakPolarHBondContact O-CB 3.47Å; V312-A316 PolarHBondContact O-N 2.84Å |
| 313 | I | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.5 | -44.6 | 177.6 | -60.2 | -60.4 | 0 | 0 | 0 | 110.9 | V296 L303 G309 K315 A316 L317 I328 V348 | V296-I313 HydrophobicContact CG1-CD1 3.34Å; V296-I313 HydrophobicContact CG2-CD1 4.37Å; L303-I313 HydrophobicContact CB-CD1 3.88Å; L303-I313 HydrophobicContact CB-CG1 3.75Å; L303-I313 HydrophobicContact CD1-CD1 3.93Å; G309-I313 WeakPolarHBondContact O-CG1 3.38Å; G309-I313 PolarHBondContact O-N 3.25Å; I313-K315 VanDerWaalsContact C-N 3.34Å; I313-K315 PolarHBondContact O-N 2.89Å; I313-A316 WeakPolarHBondContact O-CB 3.32Å; I313-A316 PolarHBondContact O-N 3.27Å; I313-L317 HydrophobicContact CG2-CD1 4.16Å; I313-L317 WeakPolarHBondContact O-CG 3.33Å; I313-L317 PolarHBondContact O-N 3.48Å; I313-I328 HydrophobicContact CG2-CG2 4.21Å; I313-V348 HydrophobicContact CB-CG1 4.48Å; I313-V348 HydrophobicContact CB-CG2 4.25Å; I313-V348 HydrophobicContact CG2-CG1 3.59Å; I313-V348 HydrophobicContact CG2-CG2 4.23Å |
| 314 | Q | 98.6 | Very high | 97.2 | Very high | 25 Ų | 25 | 40.1 Ų | 40.1 | 12% | 0.117 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.8 | -46.8 | 176 | -76.1 | 165 | 77.2 | 0 | 0 | 111.7 | C310 R311 V312 A316 L317 E318 V348 K351 | C310-Q314 WeakPolarHBondContact O-CB 3.37Å; C310-Q314 VanDerWaalsContact O-CG 3.25Å; C310-Q314 WeakPolarHBondContact O-CG 2.91Å; C310-Q314 PolarHBondContact O-N 3.27Å; C310-Q314 PolarHBondContact O-NE2 3.39Å; R311-Q314 PolarHBondContact O-N 3.23Å; V312-Q314 VanDerWaalsContact C-N 3.32Å; V312-Q314 PolarHBondContact O-N 3.25Å; Q314-A316 VanDerWaalsContact C-N 3.34Å; Q314-A316 PolarHBondContact O-N 3.04Å; Q314-L317 PolarHBondContact O-N 3.05Å; Q314-E318 WeakPolarHBondContact O-CG 3.44Å; Q314-E318 PolarHBondContact O-N 3.05Å; Q314-V348 HydrophobicContact CG-CG2 4.34Å; Q314-K351 HydrophobicContact CB-CB 4.49Å; Q314-K351 HydrophobicContact CB-CG 4.17Å; Q314-K351 HydrophobicContact CG-CB 3.95Å; Q314-K351 HydrophobicContact CG-CG 4.18Å |
| 315 | K | 98.4 | Very high | 97.1 | Very high | 36 Ų | 36 | 41.1 Ų | 41.1 | 16% | 0.157 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68 | -34 | 179.3 | -169.3 | 58.1 | 171 | -179.3 | 0 | 112.8 | Q278 F281 E282 R311 V312 I313 E318 S319 | Q278-K315 HydrophobicContact CB-CB 4.37Å; Q278-K315 HydrophobicContact CB-CG 4.07Å; Q278-K315 HydrophobicContact CG-CB 3.87Å; Q278-K315 HydrophobicContact CG-CG 4.13Å; F281-K315 HydrophobicContact CB-CG 3.98Å; E282-K315 IonicContact OE1-NZ 3.5Å; E282-K315 PolarHBondContact OE1-NZ 2.77Å; R311-K315 PolarHBondContact O-N 3.13Å; V312-K315 PolarHBondContact O-N 3.04Å; I313-K315 VanDerWaalsContact C-N 3.34Å; I313-K315 PolarHBondContact O-N 2.89Å; K315-E318 IonicContact NZ-OE2 3.99Å; K315-E318 PolarHBondContact O-N 3.19Å; K315-S319 WeakPolarHBondContact O-CB 3.34Å; K315-S319 PolarHBondContact O-N 3.39Å; K315-S319 PolarHBondContact O-OG 3.22Å |
| 316 | A | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.1 | -49.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | F281 V312 I313 Q314 E318 S319 I320 I328 | F281-A316 HydrophobicContact CD1-CB 4.05Å; F281-A316 HydrophobicContact CD2-CB 4.17Å; F281-A316 HydrophobicContact CE1-CB 3.73Å; F281-A316 HydrophobicContact CE2-CB 3.84Å; F281-A316 HydrophobicContact CG-CB 4.27Å; F281-A316 HydrophobicContact CZ-CB 3.6Å; V312-A316 WeakPolarHBondContact O-CB 3.47Å; V312-A316 PolarHBondContact O-N 2.84Å; I313-A316 WeakPolarHBondContact O-CB 3.32Å; I313-A316 PolarHBondContact O-N 3.27Å; Q314-A316 VanDerWaalsContact C-N 3.34Å; Q314-A316 PolarHBondContact O-N 3.04Å; A316-E318 PolarHBondContact O-N 3.21Å; A316-E318 VanDerWaalsContact O-N 3.16Å; A316-S319 PolarHBondContact O-N 3.18Å; A316-I320 VanDerWaalsContact O-CG1 3.25Å; A316-I320 WeakPolarHBondContact O-CG1 3.41Å; A316-I320 WeakPolarHBondContact O-CG2 3.46Å; A316-I320 PolarHBondContact O-N 3Å; A316-I328 HydrophobicContact CB-CD1 4.37Å |
| 317 | L | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.6 | -31.6 | 177.5 | -72.5 | 168.1 | 0 | 0 | 0 | 112.9 | I313 Q314 S319 Q325 I328 V329 V348 K351 V356 | I313-L317 HydrophobicContact CG2-CD1 4.16Å; I313-L317 WeakPolarHBondContact O-CG 3.33Å; I313-L317 PolarHBondContact O-N 3.48Å; Q314-L317 PolarHBondContact O-N 3.05Å; L317-S319 VanDerWaalsContact C-N 3.33Å; L317-Q325 HydrophobicContact CD2-CB 4.32Å; L317-Q325 HydrophobicContact CD2-CG 4.34Å; L317-Q325 PolarHBondContact O-NE2 3.17Å; L317-I328 HydrophobicContact CD2-CB 4.49Å; L317-I328 HydrophobicContact CD2-CG2 4.13Å; L317-V329 HydrophobicContact CD2-CG2 4.11Å; L317-V348 HydrophobicContact CD1-CG1 4.43Å; L317-K351 HydrophobicContact CB-CG 3.99Å; L317-K351 HydrophobicContact CD1-CB 4.14Å; L317-K351 HydrophobicContact CD1-CG 3.99Å; L317-V356 HydrophobicContact CD2-CG2 4.16Å |
| 318 | E | 97.2 | Very high | 96.4 | Very high | 95 Ų | 95 | 40.2 Ų | 40.2 | 44% | 0.444 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -16.5 | 176.7 | -67.1 | 173.6 | 170 | 0 | 0 | 114.1 | Q314 K315 A316 K351 | Q314-E318 WeakPolarHBondContact O-CG 3.44Å; Q314-E318 PolarHBondContact O-N 3.05Å; K315-E318 IonicContact NZ-OE2 3.99Å; K315-E318 PolarHBondContact O-N 3.19Å; A316-E318 PolarHBondContact O-N 3.21Å; A316-E318 VanDerWaalsContact O-N 3.16Å; E318-K351 HydrophobicContact CG-CD 3.89Å; E318-K351 VanDerWaalsContact OE1-CE 3.25Å; E318-K351 WeakPolarHBondContact OE1-CE 3.4Å; E318-K351 IonicContact OE1-NZ 3.53Å; E318-K351 PolarHBondContact OE1-NZ 3.29Å |
| 319 | S | 95.3 | Very high | 96.2 | Very high | 28 Ų | 28 | 37.4 Ų | 37.4 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | -12.6 | -159.9 | -52.2 | 0 | 0 | 0 | 0 | 115.6 | F281 K289 K315 A316 L317 | F281-S319 WeakPolarHBondContact O-CB 3.26Å; F281-S319 PolarHBondContact O-OG 2.95Å; K289-S319 WeakPolarHBondContact CD-O 3.36Å; K315-S319 WeakPolarHBondContact O-CB 3.34Å; K315-S319 PolarHBondContact O-N 3.39Å; K315-S319 PolarHBondContact O-OG 3.22Å; A316-S319 PolarHBondContact O-N 3.18Å; L317-S319 VanDerWaalsContact C-N 3.33Å |
| 320 | I | 94.4 | Very high | 96 | Very high | 15 Ų | 15 | 43.5 Ų | 43.5 | 8% | 0.077 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -99.3 | 171 | -179.8 | 69.8 | -169.6 | 0 | 0 | 0 | 111.5 | F281 A316 Q324 Q325 I328 | F281-I320 HydrophobicContact CD1-CG2 3.92Å; F281-I320 HydrophobicContact CE1-CG2 3.74Å; A316-I320 VanDerWaalsContact O-CG1 3.25Å; A316-I320 WeakPolarHBondContact O-CG1 3.41Å; A316-I320 WeakPolarHBondContact O-CG2 3.46Å; A316-I320 PolarHBondContact O-N 3Å; I320-Q324 HydrophobicContact CB-CB 4.11Å; I320-Q324 HydrophobicContact CD1-CB 3.74Å; I320-Q324 HydrophobicContact CG1-CB 3.91Å; I320-Q325 HydrophobicContact CD1-CG 4.27Å; I320-Q325 HydrophobicContact CG1-CG 3.76Å; I320-I328 HydrophobicContact CD1-CD1 3.39Å; I320-I328 HydrophobicContact CD1-CG1 4.35Å |
| 321 | S | 94.6 | Very high | 95.9 | Very high | 44 Ų | 44 | 45.8 Ų | 45.8 | 31% | 0.308 | 22% | 0.222 | S | C | . | . | trans | -72.1 | 158.9 | -179.3 | 83.7 | 0 | 0 | 0 | 0 | 112.4 | E323 Q324 Q325 | S321-E323 WeakPolarHBondContact CB-OE2 3.44Å; S321-E323 PolarHBondContact O-N 2.87Å; S321-E323 PolarHBondContact OG-OE2 2.75Å; S321-Q324 PolarHBondContact O-N 3.25Å; S321-Q324 VanDerWaalsContact O-N 3.09Å; S321-Q325 WeakPolarHBondContact O-CG 3.39Å; S321-Q325 PolarHBondContact O-N 3.11Å | ||
| 322 | P | 95.1 | Very high | 95.9 | Very high | 70 Ų | 70 | 40.1 Ų | 40.1 | 46% | 0.455 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -54.7 | -36.4 | 177.9 | -27.3 | 36.5 | 0 | 0 | 0 | 114.1 | Q325 Q326 | P322-Q325 WeakPolarHBondContact O-CB 3.28Å; P322-Q325 PolarHBondContact O-N 3.19Å; P322-Q326 WeakPolarHBondContact O-CG 3.29Å; P322-Q326 PolarHBondContact O-N 2.86Å |
| 323 | E | 93.5 | Very high | 95.8 | Very high | 119 Ų | 119 | 43.9 Ų | 43.9 | 56% | 0.556 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -64 | -44.2 | 178.4 | -57.2 | 71.4 | -152.3 | 0 | 0 | 110.5 | S321 Q326 E327 | S321-E323 WeakPolarHBondContact CB-OE2 3.44Å; S321-E323 PolarHBondContact O-N 2.87Å; S321-E323 PolarHBondContact OG-OE2 2.75Å; E323-Q326 PolarHBondContact O-N 2.97Å; E323-E327 PolarHBondContact O-N 3.37Å; E323-E327 VanDerWaalsContact O-N 3.12Å |
| 324 | Q | 93.7 | Very high | 95.8 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 13% | 0.126 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.7 | -35.1 | 178 | -58.8 | -169.6 | -74.1 | 0 | 0 | 112.6 | N290 I320 S321 Q326 E327 I328 | N290-Q324 PolarHBondContact OD1-NE2 3.26Å; I320-Q324 HydrophobicContact CB-CB 4.11Å; I320-Q324 HydrophobicContact CD1-CB 3.74Å; I320-Q324 HydrophobicContact CG1-CB 3.91Å; S321-Q324 PolarHBondContact O-N 3.25Å; S321-Q324 VanDerWaalsContact O-N 3.09Å; Q324-Q326 VanDerWaalsContact C-N 3.29Å; Q324-Q326 PolarHBondContact O-N 3.02Å; Q324-E327 PolarHBondContact O-N 2.86Å; Q324-I328 WeakPolarHBondContact O-CG1 3.29Å; Q324-I328 PolarHBondContact O-N 3.34Å |
| 325 | Q | 95.9 | Very high | 95.7 | Very high | 21 Ų | 21 | 49.8 Ų | 49.8 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.2 | -46.6 | 171.8 | -71.3 | 174.5 | -23.9 | 0 | 0 | 110.4 | L317 I320 S321 P322 E327 I328 V329 C355 V356 | L317-Q325 HydrophobicContact CD2-CB 4.32Å; L317-Q325 HydrophobicContact CD2-CG 4.34Å; L317-Q325 PolarHBondContact O-NE2 3.17Å; I320-Q325 HydrophobicContact CD1-CG 4.27Å; I320-Q325 HydrophobicContact CG1-CG 3.76Å; S321-Q325 WeakPolarHBondContact O-CG 3.39Å; S321-Q325 PolarHBondContact O-N 3.11Å; P322-Q325 WeakPolarHBondContact O-CB 3.28Å; P322-Q325 PolarHBondContact O-N 3.19Å; Q325-E327 PolarHBondContact O-N 2.79Å; Q325-I328 PolarHBondContact O-N 3.17Å; Q325-V329 WeakPolarHBondContact O-CB 3.42Å; Q325-V329 WeakPolarHBondContact O-CG2 3.36Å; Q325-V329 PolarHBondContact O-N 3.4Å; Q325-C355 PolarHBondContact NE2-O 3.25Å; Q325-C355 PolarHBondContact OE1-O 3.19Å; Q325-V356 HydrophobicContact CB-CG1 4.47Å; Q325-V356 HydrophobicContact CB-CG2 3.83Å; Q325-V356 HydrophobicContact CG-CG2 4.3Å |
| 326 | Q | 95 | Very high | 95.7 | Very high | 87 Ų | 87 | 48.3 Ų | 48.3 | 41% | 0.407 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 178.3 | -70.4 | 177 | 41.7 | 0 | 0 | 111.9 | P322 E323 Q324 I328 V329 H330 V356 A360 | P322-Q326 WeakPolarHBondContact O-CG 3.29Å; P322-Q326 PolarHBondContact O-N 2.86Å; E323-Q326 PolarHBondContact O-N 2.97Å; Q324-Q326 VanDerWaalsContact C-N 3.29Å; Q324-Q326 PolarHBondContact O-N 3.02Å; Q326-I328 PolarHBondContact O-N 2.96Å; Q326-V329 PolarHBondContact O-N 3.44Å; Q326-H330 WeakPolarHBondContact O-CB 3.48Å; Q326-H330 PolarHBondContact O-N 3.19Å; Q326-V356 HydrophobicContact CG-CG1 4.39Å; Q326-A360 HydrophobicContact CG-CB 3.85Å |
| 327 | E | 92.7 | Very high | 95.8 | Very high | 84 Ų | 84 | 51.1 Ų | 51.1 | 39% | 0.393 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 174.8 | -70.6 | -176.5 | -148.4 | 0 | 0 | 112.2 | K297 E323 Q324 Q325 H330 | K297-E327 IonicContact NZ-OE2 2.77Å; K297-E327 PolarHBondContact NZ-OE2 3.04Å; E323-E327 PolarHBondContact O-N 3.37Å; E323-E327 VanDerWaalsContact O-N 3.12Å; Q324-E327 PolarHBondContact O-N 2.86Å; Q325-E327 PolarHBondContact O-N 2.79Å; E327-H330 PolarHBondContact O-N 3.22Å |
| 328 | I | 92.7 | Very high | 95.8 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.036 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 177.3 | -70.3 | -178.3 | 0 | 0 | 0 | 110.8 | V296 V300 I313 A316 L317 I320 Q324 Q325 Q326 H330 E331 | V296-I328 HydrophobicContact CG1-CD1 4.15Å; V296-I328 HydrophobicContact CG1-CG1 4.37Å; V300-I328 HydrophobicContact CG1-CG2 3.76Å; V300-I328 HydrophobicContact CG2-CB 4.29Å; V300-I328 HydrophobicContact CG2-CG1 4.31Å; V300-I328 HydrophobicContact CG2-CG2 3.92Å; I313-I328 HydrophobicContact CG2-CG2 4.21Å; A316-I328 HydrophobicContact CB-CD1 4.37Å; L317-I328 HydrophobicContact CD2-CB 4.49Å; L317-I328 HydrophobicContact CD2-CG2 4.13Å; I320-I328 HydrophobicContact CD1-CD1 3.39Å; I320-I328 HydrophobicContact CD1-CG1 4.35Å; Q324-I328 WeakPolarHBondContact O-CG1 3.29Å; Q324-I328 PolarHBondContact O-N 3.34Å; Q325-I328 PolarHBondContact O-N 3.17Å; Q326-I328 PolarHBondContact O-N 2.96Å; I328-H330 VanDerWaalsContact C-N 3.32Å; I328-H330 PolarHBondContact O-N 3.06Å; I328-E331 PolarHBondContact O-N 3.4Å |
| 329 | V | 95 | Very high | 95.9 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.6 | -37.4 | -177.2 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | L317 Q325 Q326 E331 L332 C352 V356 L361 F363 | L317-V329 HydrophobicContact CD2-CG2 4.11Å; Q325-V329 WeakPolarHBondContact O-CB 3.42Å; Q325-V329 WeakPolarHBondContact O-CG2 3.36Å; Q325-V329 PolarHBondContact O-N 3.4Å; Q326-V329 PolarHBondContact O-N 3.44Å; V329-E331 VanDerWaalsContact C-N 3.27Å; V329-E331 PolarHBondContact O-N 2.85Å; V329-L332 WeakPolarHBondContact O-CB 3.48Å; V329-L332 PolarHBondContact O-N 3.01Å; V329-C352 HydrophobicContact CG2-CB 4.01Å; V329-V356 HydrophobicContact CG2-CB 4.47Å; V329-V356 HydrophobicContact CG2-CG1 4.34Å; V329-V356 HydrophobicContact CG2-CG2 3.86Å; V329-L361 HydrophobicContact CG1-CD2 3.96Å; V329-F363 HydrophobicContact CG1-CE1 3.52Å; V329-F363 HydrophobicContact CG1-CZ 3.54Å; V329-F363 WeakPolarHBondContact O-CZ 3.49Å |
| 330 | H | 94.3 | Very high | 96.1 | Very high | 127 Ų | 127 | 51.2 Ų | 51.2 | 59% | 0.588 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.2 | -28.3 | -179.9 | -116.8 | 27.2 | 0 | 0 | 0 | 113.5 | Q326 E327 I328 L332 D333 | Q326-H330 WeakPolarHBondContact O-CB 3.48Å; Q326-H330 PolarHBondContact O-N 3.19Å; E327-H330 PolarHBondContact O-N 3.22Å; I328-H330 VanDerWaalsContact C-N 3.32Å; I328-H330 PolarHBondContact O-N 3.06Å; H330-L332 PolarHBondContact O-N 3.01Å; H330-D333 VanDerWaalsContact O-CB 3.29Å; H330-D333 WeakPolarHBondContact O-CB 3.35Å; H330-D333 PolarHBondContact O-N 3.3Å |
| 331 | E | 97 | Very high | 96.3 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 24% | 0.238 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -13.1 | 173.7 | -72.9 | -173.8 | -138.7 | 0 | 0 | 113.6 | K297 G298 H299 V300 I328 V329 | K297-E331 VanDerWaalsContact CA-OE1 3.31Å; K297-E331 WeakPolarHBondContact CA-OE1 3.3Å; G298-E331 VanDerWaalsContact CA-OE2 3.29Å; G298-E331 WeakPolarHBondContact CA-OE2 3.25Å; G298-E331 PolarHBondContact N-OE1 3.19Å; G298-E331 PolarHBondContact N-OE2 3.33Å; G298-E331 VanDerWaalsContact N-OE2 3.08Å; H299-E331 PolarHBondContact N-OE2 2.89Å; V300-E331 HydrophobicContact CB-CB 3.76Å; V300-E331 HydrophobicContact CB-CG 4.41Å; V300-E331 WeakPolarHBondContact CB-OE2 3.47Å; V300-E331 HydrophobicContact CG1-CB 4.37Å; V300-E331 HydrophobicContact CG2-CB 4.03Å; V300-E331 VanDerWaalsContact CG2-CD 3.41Å; V300-E331 HydrophobicContact CG2-CG 4.21Å; V300-E331 VanDerWaalsContact CG2-OE2 3.3Å; V300-E331 WeakPolarHBondContact CG2-OE2 3.43Å; V300-E331 PolarHBondContact N-OE2 2.98Å; V300-E331 VanDerWaalsContact N-OE2 3.12Å; I328-E331 PolarHBondContact O-N 3.4Å; V329-E331 VanDerWaalsContact C-N 3.27Å; V329-E331 PolarHBondContact O-N 2.85Å |
| 332 | L | 97.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -7.5 | 173.7 | -57.1 | -179.1 | 0 | 0 | 0 | 112.8 | V300 L301 A304 V329 H330 H335 V336 V348 F363 | V300-L332 HydrophobicContact CG1-CD2 3.83Å; V300-L332 HydrophobicContact CG1-CG 4.12Å; L301-L332 HydrophobicContact CD1-CD2 4.4Å; A304-L332 HydrophobicContact CB-CD2 4.39Å; V329-L332 WeakPolarHBondContact O-CB 3.48Å; V329-L332 PolarHBondContact O-N 3.01Å; H330-L332 PolarHBondContact O-N 3.01Å; L332-H335 CarbonylContact O-C 3.27Å; L332-H335 WeakPolarHBondContact O-CA 3.36Å; L332-H335 PolarHBondContact O-N 3.31Å; L332-V336 PolarHBondContact O-N 3.13Å; L332-V348 HydrophobicContact CD1-CG1 4.04Å; L332-F363 HydrophobicContact CB-CE2 4.48Å |
| 333 | D | 97.5 | Very high | 96.6 | Very high | 80 Ų | 80 | 56.6 Ų | 56.6 | 43% | 0.428 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 140.7 | 176.1 | -160.8 | -4.5 | 0 | 0 | 0 | 110.7 | H330 H335 F363 | H330-D333 VanDerWaalsContact O-CB 3.29Å; H330-D333 WeakPolarHBondContact O-CB 3.35Å; H330-D333 PolarHBondContact O-N 3.3Å; D333-H335 PolarHBondContact O-CD2 2.98Å; D333-H335 PolarHBondContact O-N 2.99Å; D333-F363 HydrophobicContact CB-CD2 3.69Å; D333-F363 HydrophobicContact CB-CE2 3.94Å; D333-F363 HydrophobicContact CB-CG 4.22Å; D333-F363 WeakPolarHBondContact OD1-CD2 3.31Å |
| 334 | G | 97.5 | Very high | 96.9 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 71% | 0.711 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | -6.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 335 | H | 98.3 | Very high | 97.1 | Very high | 79 Ų | 79 | 50.6 Ų | 50.6 | 37% | 0.366 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | 4.2 | -176.9 | -58.7 | -53 | 0 | 0 | 0 | 114.6 | L301 L332 D333 L337 K338 C339 | L301-H335 HydrophobicContact CD1-CB 3.82Å; L301-H335 HydrophobicContact CD2-CB 4.24Å; L332-H335 CarbonylContact O-C 3.27Å; L332-H335 WeakPolarHBondContact O-CA 3.36Å; L332-H335 PolarHBondContact O-N 3.31Å; D333-H335 PolarHBondContact O-CD2 2.98Å; D333-H335 PolarHBondContact O-N 2.99Å; H335-L337 PolarHBondContact O-N 2.97Å; H335-K338 WeakPolarHBondContact O-CB 3.49Å; H335-K338 PolarHBondContact O-N 3.08Å; H335-K338 VanDerWaalsContact O-N 3.12Å; H335-C339 PolarHBondContact O-N 3.04Å; H335-C339 VanDerWaalsContact O-N 3.08Å |
| 336 | V | 98.5 | Very high | 97.2 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -49.4 | -55.6 | -175.8 | 178.6 | 0 | 0 | 0 | 0 | 112.9 | L332 K338 C339 V340 F363 I364 A367 F368 | L332-V336 PolarHBondContact O-N 3.13Å; V336-K338 VanDerWaalsContact C-N 3.27Å; V336-K338 PolarHBondContact O-N 2.86Å; V336-C339 PolarHBondContact O-N 3.14Å; V336-C339 VanDerWaalsContact O-N 3.09Å; V336-V340 HydrophobicContact CG1-CG2 4.12Å; V336-V340 VanDerWaalsContact O-CG2 3.32Å; V336-V340 WeakPolarHBondContact O-CG2 3.43Å; V336-V340 PolarHBondContact O-N 3.38Å; V336-F363 HydrophobicContact CG2-CD2 3.6Å; V336-F363 HydrophobicContact CG2-CE2 3.46Å; V336-F363 VanDerWaalsContact CG2-CE2 3.46Å; V336-I364 HydrophobicContact CG1-CB 4.44Å; V336-I364 HydrophobicContact CG1-CG2 3.97Å; V336-I364 HydrophobicContact CG2-CG1 4.24Å; V336-A367 HydrophobicContact CB-CB 3.8Å; V336-A367 HydrophobicContact CG1-CB 3.93Å; V336-A367 HydrophobicContact CG2-CB 4.19Å; V336-F368 HydrophobicContact CG1-CD2 4.3Å; V336-F368 HydrophobicContact CG1-CE2 3.85Å |
| 337 | L | 98.4 | Very high | 97.4 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 30% | 0.304 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.5 | -32.6 | -175.7 | -66.1 | -178.5 | 0 | 0 | 0 | 113 | H335 K341 A367 Q371 L375 | H335-L337 PolarHBondContact O-N 2.97Å; L337-K341 WeakPolarHBondContact O-CG 3.36Å; L337-K341 PolarHBondContact O-N 3.46Å; L337-A367 WeakPolarHBondContact CD2-O 3.41Å; L337-Q371 HydrophobicContact CD1-CG 4.11Å; L337-Q371 HydrophobicContact CD2-CB 4.49Å; L337-Q371 HydrophobicContact CD2-CG 4.39Å; L337-L375 HydrophobicContact CD2-CD1 3.94Å |
| 338 | K | 98.6 | Very high | 97.7 | Very high | 124 Ų | 124 | 44 Ų | 44 | 54% | 0.539 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.8 | -47.6 | 174.1 | -177.8 | -177 | -179 | -174.8 | 0 | 110.1 | L305 H335 V336 K341 D342 | L305-K338 HydrophobicContact CD1-CD 4.23Å; H335-K338 WeakPolarHBondContact O-CB 3.49Å; H335-K338 PolarHBondContact O-N 3.08Å; H335-K338 VanDerWaalsContact O-N 3.12Å; V336-K338 VanDerWaalsContact C-N 3.27Å; V336-K338 PolarHBondContact O-N 2.86Å; K338-K341 PolarHBondContact O-N 3.44Å; K338-D342 WeakPolarHBondContact O-CB 3.45Å; K338-D342 PolarHBondContact O-N 3Å |
| 339 | C | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.8 | -44.4 | 179.2 | -66 | 0 | 0 | 0 | 0 | 112.1 | L301 H335 V336 K341 D342 G345 N346 V349 | L301-C339 VanDerWaalsContact CD1-SG 3.52Å; H335-C339 PolarHBondContact O-N 3.04Å; H335-C339 VanDerWaalsContact O-N 3.08Å; V336-C339 PolarHBondContact O-N 3.14Å; V336-C339 VanDerWaalsContact O-N 3.09Å; C339-K341 VanDerWaalsContact C-N 3.27Å; C339-K341 PolarHBondContact O-N 3.01Å; C339-D342 PolarHBondContact O-N 3.26Å; C339-D342 VanDerWaalsContact O-N 3.1Å; C339-G345 CarbonylContact O-C 3.45Å; C339-G345 WeakPolarHBondContact O-CA 3.37Å; C339-N346 PolarHBondContact O-N 3.11Å; C339-V349 HydrophobicContact CB-CG2 3.68Å |
| 340 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.6 | -36 | 179.6 | 170.9 | 0 | 0 | 0 | 0 | 112.3 | V336 N346 V349 F368 L375 Y380 V384 | V336-V340 HydrophobicContact CG1-CG2 4.12Å; V336-V340 VanDerWaalsContact O-CG2 3.32Å; V336-V340 WeakPolarHBondContact O-CG2 3.43Å; V336-V340 PolarHBondContact O-N 3.38Å; V340-N346 WeakPolarHBondContact O-CB 3.42Å; V340-V349 HydrophobicContact CG2-CB 4.36Å; V340-V349 HydrophobicContact CG2-CG1 3.99Å; V340-V349 HydrophobicContact CG2-CG2 4.16Å; V340-F368 HydrophobicContact CG1-CZ 4.21Å; V340-F368 HydrophobicContact CG2-CE2 3.87Å; V340-F368 HydrophobicContact CG2-CZ 3.84Å; V340-L375 HydrophobicContact CG1-CD2 3.76Å; V340-Y380 WeakPolarHBondContact O-CB 3.41Å; V340-V384 HydrophobicContact CG1-CB 4.34Å; V340-V384 HydrophobicContact CG1-CG2 3.99Å; V340-V384 HydrophobicContact CG2-CG1 4.24Å; V340-V384 HydrophobicContact CG2-CG2 4.25Å |
| 341 | K | 98.5 | Very high | 98.4 | Very high | 82 Ų | 82 | 39.8 Ų | 39.8 | 36% | 0.357 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -87.6 | -4 | 179.5 | -65.3 | 179.6 | -176.7 | 178.9 | 0 | 113.4 | L337 K338 C339 L375 | L337-K341 WeakPolarHBondContact O-CG 3.36Å; L337-K341 PolarHBondContact O-N 3.46Å; K338-K341 PolarHBondContact O-N 3.44Å; C339-K341 VanDerWaalsContact C-N 3.27Å; C339-K341 PolarHBondContact O-N 3.01Å; K341-L375 HydrophobicContact CG-CD2 4.31Å |
| 342 | D | 98.8 | Very high | 98.5 | Very high | 38 Ų | 38 | 37.3 Ų | 37.3 | 20% | 0.203 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -87.4 | 145.2 | 177.4 | -178.1 | -104.6 | 0 | 0 | 0 | 112.3 | L305 K338 C339 N344 G345 N346 | L305-D342 HydrophobicContact CD2-CB 3.53Å; L305-D342 VanDerWaalsContact CD2-CG 3.46Å; K338-D342 WeakPolarHBondContact O-CB 3.45Å; K338-D342 PolarHBondContact O-N 3Å; C339-D342 PolarHBondContact O-N 3.26Å; C339-D342 VanDerWaalsContact O-N 3.1Å; D342-N344 PolarHBondContact O-N 2.89Å; D342-N344 WeakPolarHBondContact OD1-CA 3.34Å; D342-N344 VanDerWaalsContact OD1-CB 3.3Å; D342-N344 WeakPolarHBondContact OD1-CB 3.45Å; D342-N344 PolarHBondContact OD1-N 3.05Å; D342-G345 PolarHBondContact OD1-N 2.64Å; D342-N346 WeakPolarHBondContact O-CB 3.36Å; D342-N346 PolarHBondContact O-N 2.83Å; D342-N346 PolarHBondContact O-ND2 3.04Å |
| 343 | Q | 98.3 | Very high | 98.5 | Very high | 123 Ų | 123 | 37.2 Ų | 37.2 | 58% | 0.575 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -25.8 | -179.5 | 65.9 | -177.1 | -35 | 0 | 0 | 113.9 | N346 H347 Y380 | Q343-N346 VanDerWaalsContact C-ND2 3.29Å; Q343-N346 PolarHBondContact O-ND2 3.02Å; Q343-H347 PolarHBondContact O-CD2 3.44Å; Q343-Y380 HydrophobicContact CB-CE2 4.09Å |
| 344 | N | 98.5 | Very high | 98.6 | Very high | 19 Ų | 19 | 36.9 Ų | 36.9 | 10% | 0.102 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -47.7 | 178.4 | -56.9 | -47.4 | 0 | 0 | 0 | 110.5 | A304 L305 M307 C310 D342 N346 H347 | A304-N344 CarbonylContact O-C 3.59Å; A304-N344 WeakPolarHBondContact O-CB 3.17Å; L305-N344 PolarHBondContact O-ND2 2.99Å; M307-N344 PolarHBondContact N-ND2 3.49Å; C310-N344 HydrophobicContact CB-CB 3.93Å; D342-N344 PolarHBondContact O-N 2.89Å; D342-N344 WeakPolarHBondContact OD1-CA 3.34Å; D342-N344 VanDerWaalsContact OD1-CB 3.3Å; D342-N344 WeakPolarHBondContact OD1-CB 3.45Å; D342-N344 PolarHBondContact OD1-N 3.05Å; N344-N346 VanDerWaalsContact C-N 3.28Å; N344-N346 PolarHBondContact O-N 3.41Å; N344-H347 WeakPolarHBondContact O-CB 3.45Å; N344-H347 PolarHBondContact O-N 3.45Å; N344-H347 VanDerWaalsContact O-N 3.09Å |
| 345 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.3 | -33.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A304 C339 D342 H347 V348 V349 | A304-G345 WeakPolarHBondContact O-CA 3.5Å; A304-G345 PolarHBondContact O-N 2.7Å; C339-G345 CarbonylContact O-C 3.45Å; C339-G345 WeakPolarHBondContact O-CA 3.37Å; D342-G345 PolarHBondContact OD1-N 2.64Å; G345-H347 PolarHBondContact O-N 2.92Å; G345-V348 WeakPolarHBondContact O-CB 3.5Å; G345-V348 PolarHBondContact O-N 3.41Å; G345-V349 PolarHBondContact O-N 3.3Å |
| 346 | N | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.2 | -31.4 | 179.1 | 77.2 | 93 | 0 | 0 | 0 | 112.3 | C339 V340 D342 Q343 N344 Q350 Y380 V384 | C339-N346 PolarHBondContact O-N 3.11Å; V340-N346 WeakPolarHBondContact O-CB 3.42Å; D342-N346 WeakPolarHBondContact O-CB 3.36Å; D342-N346 PolarHBondContact O-N 2.83Å; D342-N346 PolarHBondContact O-ND2 3.04Å; Q343-N346 VanDerWaalsContact C-ND2 3.29Å; Q343-N346 PolarHBondContact O-ND2 3.02Å; N344-N346 VanDerWaalsContact C-N 3.28Å; N344-N346 PolarHBondContact O-N 3.41Å; N346-Q350 VanDerWaalsContact O-CG 3.27Å; N346-Q350 WeakPolarHBondContact O-CG 3.5Å; N346-Q350 PolarHBondContact O-N 3.23Å; N346-Q350 PolarHBondContact O-NE2 3.29Å; N346-Q350 PolarHBondContact OD1-NE2 3.19Å; N346-Y380 HydrophobicContact CB-CG 4.42Å; N346-V384 HydrophobicContact CB-CG2 4.49Å |
| 347 | H | 98.8 | Very high | 98.5 | Very high | 52 Ų | 52 | 36.1 Ų | 36.1 | 24% | 0.241 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.7 | -35 | 177.4 | -66.8 | -69.4 | 0 | 0 | 0 | 111.8 | Q343 N344 G345 K351 | Q343-H347 PolarHBondContact O-CD2 3.44Å; N344-H347 WeakPolarHBondContact O-CB 3.45Å; N344-H347 PolarHBondContact O-N 3.45Å; N344-H347 VanDerWaalsContact O-N 3.09Å; G345-H347 PolarHBondContact O-N 2.92Å; H347-K351 WeakPolarHBondContact O-CB 3.32Å; H347-K351 PolarHBondContact O-N 3.31Å |
| 348 | V | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.9 | -47.3 | 173.7 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | A304 C310 I313 Q314 L317 L332 G345 Q350 K351 C352 | A304-V348 HydrophobicContact CB-CB 4.21Å; A304-V348 HydrophobicContact CB-CG1 4.18Å; A304-V348 HydrophobicContact CB-CG2 3.92Å; C310-V348 HydrophobicContact CB-CG2 3.9Å; I313-V348 HydrophobicContact CB-CG1 4.48Å; I313-V348 HydrophobicContact CB-CG2 4.25Å; I313-V348 HydrophobicContact CG2-CG1 3.59Å; I313-V348 HydrophobicContact CG2-CG2 4.23Å; Q314-V348 HydrophobicContact CG-CG2 4.34Å; L317-V348 HydrophobicContact CD1-CG1 4.43Å; L332-V348 HydrophobicContact CD1-CG1 4.04Å; G345-V348 WeakPolarHBondContact O-CB 3.5Å; G345-V348 PolarHBondContact O-N 3.41Å; V348-Q350 VanDerWaalsContact C-N 3.35Å; V348-Q350 PolarHBondContact O-N 3.49Å; V348-K351 CarbonylContact O-C 3.16Å; V348-K351 WeakPolarHBondContact O-CA 3.4Å; V348-K351 WeakPolarHBondContact O-CB 3.42Å; V348-K351 PolarHBondContact O-N 3.08Å; V348-C352 PolarHBondContact O-N 3.42Å; V348-C352 PolarHBondContact O-SG 3.42Å |
| 349 | V | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | C339 V340 G345 K351 C352 I353 I364 V384 | C339-V349 HydrophobicContact CB-CG2 3.68Å; V340-V349 HydrophobicContact CG2-CB 4.36Å; V340-V349 HydrophobicContact CG2-CG1 3.99Å; V340-V349 HydrophobicContact CG2-CG2 4.16Å; G345-V349 PolarHBondContact O-N 3.3Å; V349-K351 VanDerWaalsContact C-N 3.31Å; V349-K351 PolarHBondContact O-N 2.97Å; V349-C352 WeakPolarHBondContact O-CB 3.47Å; V349-C352 PolarHBondContact O-N 2.78Å; V349-I353 HydrophobicContact CG1-CD1 4.1Å; V349-I353 WeakPolarHBondContact O-CD1 3.13Å; V349-I353 WeakPolarHBondContact O-CG1 3.3Å; V349-I353 PolarHBondContact O-N 3.12Å; V349-I353 VanDerWaalsContact O-N 3.12Å; V349-I364 HydrophobicContact CG1-CD1 4.37Å; V349-I364 HydrophobicContact CG1-CG2 4.45Å; V349-V384 HydrophobicContact CG1-CG1 3.7Å |
| 350 | Q | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 7% | 0.07 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.1 | -44.8 | 172.6 | -74.5 | 170.7 | 86.4 | 0 | 0 | 111.4 | N346 V348 C352 I353 E354 V384 R387 | N346-Q350 VanDerWaalsContact O-CG 3.27Å; N346-Q350 WeakPolarHBondContact O-CG 3.5Å; N346-Q350 PolarHBondContact O-N 3.23Å; N346-Q350 PolarHBondContact O-NE2 3.29Å; N346-Q350 PolarHBondContact OD1-NE2 3.19Å; V348-Q350 VanDerWaalsContact C-N 3.35Å; V348-Q350 PolarHBondContact O-N 3.49Å; Q350-C352 VanDerWaalsContact C-N 3.34Å; Q350-C352 PolarHBondContact O-N 3.13Å; Q350-I353 PolarHBondContact O-N 3.18Å; Q350-I353 VanDerWaalsContact O-N 3.12Å; Q350-E354 WeakPolarHBondContact O-CG 3.18Å; Q350-E354 PolarHBondContact O-N 2.85Å; Q350-V384 HydrophobicContact CG-CG2 4.04Å; Q350-R387 HydrophobicContact CB-CG 3.92Å; Q350-R387 HydrophobicContact CG-CG 3.68Å |
| 351 | K | 98.7 | Very high | 98.3 | Very high | 29 Ų | 29 | 35.3 Ų | 35.3 | 13% | 0.126 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.3 | -34.5 | 179.2 | -169.1 | 57.8 | 59.1 | 178.9 | 0 | 113 | Q314 L317 E318 H347 V348 V349 I353 E354 C355 | Q314-K351 HydrophobicContact CB-CB 4.49Å; Q314-K351 HydrophobicContact CB-CG 4.17Å; Q314-K351 HydrophobicContact CG-CB 3.95Å; Q314-K351 HydrophobicContact CG-CG 4.18Å; L317-K351 HydrophobicContact CB-CG 3.99Å; L317-K351 HydrophobicContact CD1-CB 4.14Å; L317-K351 HydrophobicContact CD1-CG 3.99Å; E318-K351 HydrophobicContact CG-CD 3.89Å; E318-K351 VanDerWaalsContact OE1-CE 3.25Å; E318-K351 WeakPolarHBondContact OE1-CE 3.4Å; E318-K351 IonicContact OE1-NZ 3.53Å; E318-K351 PolarHBondContact OE1-NZ 3.29Å; H347-K351 WeakPolarHBondContact O-CB 3.32Å; H347-K351 PolarHBondContact O-N 3.31Å; V348-K351 CarbonylContact O-C 3.16Å; V348-K351 WeakPolarHBondContact O-CA 3.4Å; V348-K351 WeakPolarHBondContact O-CB 3.42Å; V348-K351 PolarHBondContact O-N 3.08Å; V349-K351 VanDerWaalsContact C-N 3.31Å; V349-K351 PolarHBondContact O-N 2.97Å; K351-I353 VanDerWaalsContact C-N 3.31Å; K351-I353 PolarHBondContact O-N 3.44Å; K351-E354 VanDerWaalsContact CE-OE2 3.29Å; K351-E354 WeakPolarHBondContact CE-OE2 3.29Å; K351-E354 IonicContact NZ-OE2 2.72Å; K351-E354 PolarHBondContact NZ-OE2 3.29Å; K351-E354 PolarHBondContact O-N 2.88Å; K351-C355 WeakPolarHBondContact CD-SG 3.5Å; K351-C355 WeakPolarHBondContact O-CB 3.33Å; K351-C355 PolarHBondContact O-N 3.23Å |
| 352 | C | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.5 | -45.9 | 170.5 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | V329 V348 V349 Q350 E354 C355 V356 L361 | V329-C352 HydrophobicContact CG2-CB 4.01Å; V348-C352 PolarHBondContact O-N 3.42Å; V348-C352 PolarHBondContact O-SG 3.42Å; V349-C352 WeakPolarHBondContact O-CB 3.47Å; V349-C352 PolarHBondContact O-N 2.78Å; Q350-C352 VanDerWaalsContact C-N 3.34Å; Q350-C352 PolarHBondContact O-N 3.13Å; C352-E354 PolarHBondContact O-N 3.15Å; C352-C355 PolarHBondContact O-N 2.99Å; C352-V356 VanDerWaalsContact O-CB 3.24Å; C352-V356 WeakPolarHBondContact O-CB 3.42Å; C352-V356 WeakPolarHBondContact O-CG2 3.45Å; C352-V356 PolarHBondContact O-N 3.1Å; C352-L361 HydrophobicContact CB-CD2 4.32Å |
| 353 | I | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.1 | -35.2 | -179.7 | -62.9 | 157.4 | 0 | 0 | 0 | 112.5 | V349 Q350 K351 L361 V384 R387 I388 H391 | V349-I353 HydrophobicContact CG1-CD1 4.1Å; V349-I353 WeakPolarHBondContact O-CD1 3.13Å; V349-I353 WeakPolarHBondContact O-CG1 3.3Å; V349-I353 PolarHBondContact O-N 3.12Å; V349-I353 VanDerWaalsContact O-N 3.12Å; Q350-I353 PolarHBondContact O-N 3.18Å; Q350-I353 VanDerWaalsContact O-N 3.12Å; K351-I353 VanDerWaalsContact C-N 3.31Å; K351-I353 PolarHBondContact O-N 3.44Å; I353-L361 HydrophobicContact CB-CD1 4.36Å; I353-L361 HydrophobicContact CG1-CD1 4.23Å; I353-V384 HydrophobicContact CD1-CG1 3.62Å; I353-R387 HydrophobicContact CB-CB 4.13Å; I353-R387 HydrophobicContact CD1-CB 4.12Å; I353-R387 HydrophobicContact CG2-CB 3.78Å; I353-R387 VanDerWaalsContact CG2-O 3.29Å; I353-R387 WeakPolarHBondContact CG2-O 3.27Å; I353-I388 HydrophobicContact CD1-CG1 3.78Å; I353-H391 HydrophobicContact CG2-CB 3.75Å; I353-H391 WeakPolarHBondContact O-CB 3.49Å |
| 354 | E | 98.5 | Very high | 98.2 | Very high | 73 Ų | 73 | 28.8 Ų | 28.8 | 34% | 0.341 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -74.1 | -33.4 | 179 | -71.9 | 167.5 | -160.9 | 0 | 0 | 113.6 | Q350 K351 C352 R387 | Q350-E354 WeakPolarHBondContact O-CG 3.18Å; Q350-E354 PolarHBondContact O-N 2.85Å; K351-E354 VanDerWaalsContact CE-OE2 3.29Å; K351-E354 WeakPolarHBondContact CE-OE2 3.29Å; K351-E354 IonicContact NZ-OE2 2.72Å; K351-E354 PolarHBondContact NZ-OE2 3.29Å; K351-E354 PolarHBondContact O-N 2.88Å; C352-E354 PolarHBondContact O-N 3.15Å; E354-R387 WeakPolarHBondContact OE1-CD 3.49Å |
| 355 | C | 97.7 | Very high | 98.2 | Very high | 42 Ų | 42 | 28.2 Ų | 28.2 | 28% | 0.284 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -112.5 | -16 | -165.7 | -65.4 | 0 | 0 | 0 | 0 | 115.3 | Q325 K351 C352 | Q325-C355 PolarHBondContact NE2-O 3.25Å; Q325-C355 PolarHBondContact OE1-O 3.19Å; K351-C355 WeakPolarHBondContact CD-SG 3.5Å; K351-C355 WeakPolarHBondContact O-CB 3.33Å; K351-C355 PolarHBondContact O-N 3.23Å; C352-C355 PolarHBondContact O-N 2.99Å |
| 356 | V | 97.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -111.8 | 146.6 | -171.3 | -173.8 | 0 | 0 | 0 | 0 | 110.4 | L317 Q325 Q326 V329 C352 A360 L361 | L317-V356 HydrophobicContact CD2-CG2 4.16Å; Q325-V356 HydrophobicContact CB-CG1 4.47Å; Q325-V356 HydrophobicContact CB-CG2 3.83Å; Q325-V356 HydrophobicContact CG-CG2 4.3Å; Q326-V356 HydrophobicContact CG-CG1 4.39Å; V329-V356 HydrophobicContact CG2-CB 4.47Å; V329-V356 HydrophobicContact CG2-CG1 4.34Å; V329-V356 HydrophobicContact CG2-CG2 3.86Å; C352-V356 VanDerWaalsContact O-CB 3.24Å; C352-V356 WeakPolarHBondContact O-CB 3.42Å; C352-V356 WeakPolarHBondContact O-CG2 3.45Å; C352-V356 PolarHBondContact O-N 3.1Å; V356-A360 HydrophobicContact CG1-CB 4.11Å; V356-L361 HydrophobicContact CB-CD2 4.17Å; V356-L361 HydrophobicContact CG1-CD2 4.29Å |
| 357 | D | 97.7 | Very high | 98.1 | Very high | 89 Ų | 89 | 34.5 Ų | 34.5 | 48% | 0.476 | 19% | 0.191 | S | C | . | . | trans | -51.8 | 125 | 177.4 | -171.1 | -33.9 | 0 | 0 | 0 | 110.7 | V359 A360 | D357-V359 PolarHBondContact O-N 3.3Å; D357-V359 WeakPolarHBondContact OD1-CG2 3.4Å; D357-V359 PolarHBondContact OD1-N 3.48Å; D357-A360 PolarHBondContact O-N 3.03Å | ||
| 358 | P | 97.8 | Very high | 98.1 | Very high | 33 Ų | 33 | 32 Ų | 32 | 21% | 0.214 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -50.2 | -30.8 | 178.3 | -30.4 | 36.8 | 0 | 0 | 0 | 114.6 | A360 L361 H391 T393 Q396 | P358-A360 VanDerWaalsContact C-N 3.26Å; P358-A360 PolarHBondContact O-N 3.32Å; P358-L361 WeakPolarHBondContact O-CB 3.49Å; P358-L361 PolarHBondContact O-N 3.35Å; P358-H391 WeakPolarHBondContact CG-O 3.3Å; P358-T393 HydrophobicContact CB-CG2 3.93Å; P358-Q396 PolarHBondContact O-NE2 3.12Å |
| 359 | V | 96.8 | Very high | 98 | Very high | 111 Ų | 111 | 40.2 Ų | 40.2 | 67% | 0.673 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -59.7 | -38.5 | 177.8 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | D357 L361 | D357-V359 PolarHBondContact O-N 3.3Å; D357-V359 WeakPolarHBondContact OD1-CG2 3.4Å; D357-V359 PolarHBondContact OD1-N 3.48Å; V359-L361 PolarHBondContact O-N 3.43Å |
| 360 | A | 97.1 | Very high | 97.9 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 17% | 0.174 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -75.5 | -10.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q326 V356 D357 P358 F363 | Q326-A360 HydrophobicContact CG-CB 3.85Å; V356-A360 HydrophobicContact CG1-CB 4.11Å; D357-A360 PolarHBondContact O-N 3.03Å; P358-A360 VanDerWaalsContact C-N 3.26Å; P358-A360 PolarHBondContact O-N 3.32Å; A360-F363 WeakPolarHBondContact O-CD1 3.33Å; A360-F363 WeakPolarHBondContact O-CE1 3.2Å |
| 361 | L | 97.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -95 | 4 | -175.9 | -56 | -179.6 | 0 | 0 | 0 | 113.5 | V329 C352 I353 V356 P358 V359 F363 I364 I365 | V329-L361 HydrophobicContact CG1-CD2 3.96Å; C352-L361 HydrophobicContact CB-CD2 4.32Å; I353-L361 HydrophobicContact CB-CD1 4.36Å; I353-L361 HydrophobicContact CG1-CD1 4.23Å; V356-L361 HydrophobicContact CB-CD2 4.17Å; V356-L361 HydrophobicContact CG1-CD2 4.29Å; P358-L361 WeakPolarHBondContact O-CB 3.49Å; P358-L361 PolarHBondContact O-N 3.35Å; V359-L361 PolarHBondContact O-N 3.43Å; L361-F363 PolarHBondContact O-N 3.02Å; L361-F363 VanDerWaalsContact O-N 3.14Å; L361-I364 HydrophobicContact CB-CD1 4.36Å; L361-I364 HydrophobicContact CD2-CD1 3.86Å; L361-I364 WeakPolarHBondContact O-CA 3.39Å; L361-I364 VanDerWaalsContact O-CB 3.28Å; L361-I364 WeakPolarHBondContact O-CB 3.44Å; L361-I364 PolarHBondContact O-N 3.18Å; L361-I365 PolarHBondContact O-N 2.9Å |
| 362 | Q | 98.1 | Very high | 97.9 | Very high | 78 Ų | 78 | 43.6 Ų | 43.6 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.4 | -34.9 | -173.7 | -170.8 | 57.2 | 42.4 | 0 | 0 | 113.6 | I364 I365 N366 Q396 | Q362-I364 PolarHBondContact O-N 2.98Å; Q362-I365 PolarHBondContact O-N 3Å; Q362-I365 VanDerWaalsContact O-N 3.16Å; Q362-N366 PolarHBondContact NE2-OD1 3.12Å; Q362-N366 PolarHBondContact O-N 3.08Å; Q362-N366 PolarHBondContact O-ND2 2.73Å; Q362-N366 PolarHBondContact O-OD1 3.33Å; Q362-Q396 VanDerWaalsContact OE1-CG 3.25Å |
| 363 | F | 98.1 | Very high | 97.9 | Very high | 21 Ų | 21 | 47.7 Ų | 47.7 | 9% | 0.092 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.9 | -29.4 | 176.7 | 75.9 | -80.7 | 0 | 0 | 0 | 112.7 | V329 L332 D333 V336 A360 L361 A367 | V329-F363 HydrophobicContact CG1-CE1 3.52Å; V329-F363 HydrophobicContact CG1-CZ 3.54Å; V329-F363 WeakPolarHBondContact O-CZ 3.49Å; L332-F363 HydrophobicContact CB-CE2 4.48Å; D333-F363 HydrophobicContact CB-CD2 3.69Å; D333-F363 HydrophobicContact CB-CE2 3.94Å; D333-F363 HydrophobicContact CB-CG 4.22Å; D333-F363 WeakPolarHBondContact OD1-CD2 3.31Å; V336-F363 HydrophobicContact CG2-CD2 3.6Å; V336-F363 HydrophobicContact CG2-CE2 3.46Å; V336-F363 VanDerWaalsContact CG2-CE2 3.46Å; A360-F363 WeakPolarHBondContact O-CD1 3.33Å; A360-F363 WeakPolarHBondContact O-CE1 3.2Å; L361-F363 PolarHBondContact O-N 3.02Å; L361-F363 VanDerWaalsContact O-N 3.14Å; F363-A367 WeakPolarHBondContact O-CB 3.45Å; F363-A367 PolarHBondContact O-N 3.48Å |
| 364 | I | 98.1 | Very high | 97.9 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.5 | -48.2 | 172.9 | -57.8 | -178.8 | 0 | 0 | 0 | 109.4 | V336 V349 L361 Q362 N366 A367 F368 | V336-I364 HydrophobicContact CG1-CB 4.44Å; V336-I364 HydrophobicContact CG1-CG2 3.97Å; V336-I364 HydrophobicContact CG2-CG1 4.24Å; V349-I364 HydrophobicContact CG1-CD1 4.37Å; V349-I364 HydrophobicContact CG1-CG2 4.45Å; L361-I364 HydrophobicContact CB-CD1 4.36Å; L361-I364 HydrophobicContact CD2-CD1 3.86Å; L361-I364 WeakPolarHBondContact O-CA 3.39Å; L361-I364 VanDerWaalsContact O-CB 3.28Å; L361-I364 WeakPolarHBondContact O-CB 3.44Å; L361-I364 PolarHBondContact O-N 3.18Å; Q362-I364 PolarHBondContact O-N 2.98Å; I364-N366 VanDerWaalsContact C-N 3.32Å; I364-N366 PolarHBondContact O-N 3.23Å; I364-A367 PolarHBondContact O-N 3.28Å; I364-F368 HydrophobicContact CG2-CD2 4.22Å; I364-F368 HydrophobicContact CG2-CE2 3.9Å; I364-F368 WeakPolarHBondContact O-CD2 3.46Å; I364-F368 PolarHBondContact O-N 2.9Å |
| 365 | I | 98 | Very high | 97.9 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 178.8 | -52 | -56.9 | 0 | 0 | 0 | 110.7 | L361 Q362 A367 F368 K369 I388 Q396 P399 I400 | L361-I365 PolarHBondContact O-N 2.9Å; Q362-I365 PolarHBondContact O-N 3Å; Q362-I365 VanDerWaalsContact O-N 3.16Å; I365-A367 VanDerWaalsContact C-N 3.3Å; I365-A367 PolarHBondContact O-N 3Å; I365-F368 WeakPolarHBondContact O-CB 3.28Å; I365-F368 PolarHBondContact O-N 3.05Å; I365-K369 PolarHBondContact O-N 3.45Å; I365-I388 HydrophobicContact CD1-CD1 4.08Å; I365-I388 HydrophobicContact CD1-CG1 4.13Å; I365-I388 HydrophobicContact CD1-CG2 3.64Å; I365-Q396 HydrophobicContact CD1-CB 4.33Å; I365-Q396 HydrophobicContact CG1-CB 4.02Å; I365-Q396 HydrophobicContact CG1-CG 4.01Å; I365-Q396 HydrophobicContact CG2-CB 4.48Å; I365-P399 HydrophobicContact CG2-CG 4.49Å; I365-I400 HydrophobicContact CG2-CD1 4.44Å |
| 366 | N | 98.3 | Very high | 98 | Very high | 101 Ų | 101 | 44.5 Ų | 44.5 | 54% | 0.54 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.7 | -38.7 | 177.4 | -65.1 | -13.2 | 0 | 0 | 0 | 112.2 | Q362 I364 F368 K369 | Q362-N366 PolarHBondContact NE2-OD1 3.12Å; Q362-N366 PolarHBondContact O-N 3.08Å; Q362-N366 PolarHBondContact O-ND2 2.73Å; Q362-N366 PolarHBondContact O-OD1 3.33Å; I364-N366 VanDerWaalsContact C-N 3.32Å; I364-N366 PolarHBondContact O-N 3.23Å; N366-F368 PolarHBondContact O-N 3.09Å; N366-K369 WeakPolarHBondContact O-CB 3.49Å; N366-K369 PolarHBondContact O-N 3.28Å |
| 367 | A | 98.3 | Very high | 98 | Very high | 31 Ų | 31 | 45.7 Ų | 45.7 | 26% | 0.256 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.7 | -19.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V336 L337 F363 I364 I365 | V336-A367 HydrophobicContact CB-CB 3.8Å; V336-A367 HydrophobicContact CG1-CB 3.93Å; V336-A367 HydrophobicContact CG2-CB 4.19Å; L337-A367 WeakPolarHBondContact CD2-O 3.41Å; F363-A367 WeakPolarHBondContact O-CB 3.45Å; F363-A367 PolarHBondContact O-N 3.48Å; I364-A367 PolarHBondContact O-N 3.28Å; I365-A367 VanDerWaalsContact C-N 3.3Å; I365-A367 PolarHBondContact O-N 3Å |
| 368 | F | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -85.4 | -18.2 | 179.7 | -86.9 | -127 | 0 | 0 | 0 | 113.1 | V336 V340 I364 I365 N366 G370 Q371 V372 L375 V384 I385 I388 I400 | V336-F368 HydrophobicContact CG1-CD2 4.3Å; V336-F368 HydrophobicContact CG1-CE2 3.85Å; V340-F368 HydrophobicContact CG1-CZ 4.21Å; V340-F368 HydrophobicContact CG2-CE2 3.87Å; V340-F368 HydrophobicContact CG2-CZ 3.84Å; I364-F368 HydrophobicContact CG2-CD2 4.22Å; I364-F368 HydrophobicContact CG2-CE2 3.9Å; I364-F368 WeakPolarHBondContact O-CD2 3.46Å; I364-F368 PolarHBondContact O-N 2.9Å; I365-F368 WeakPolarHBondContact O-CB 3.28Å; I365-F368 PolarHBondContact O-N 3.05Å; N366-F368 PolarHBondContact O-N 3.09Å; F368-G370 PolarHBondContact O-N 3.15Å; F368-Q371 WeakPolarHBondContact O-CA 3.47Å; F368-Q371 WeakPolarHBondContact O-CB 3.44Å; F368-Q371 PolarHBondContact O-N 3.12Å; F368-V372 WeakPolarHBondContact O-CG2 3.39Å; F368-V372 PolarHBondContact O-N 3.28Å; F368-L375 HydrophobicContact CD1-CD1 3.54Å; F368-L375 HydrophobicContact CD2-CD1 4.04Å; F368-L375 HydrophobicContact CE1-CD1 3.48Å; F368-L375 VanDerWaalsContact CE1-CD1 3.48Å; F368-L375 HydrophobicContact CE2-CD1 4.01Å; F368-L375 HydrophobicContact CG-CD1 3.82Å; F368-L375 HydrophobicContact CZ-CD1 3.72Å; F368-V384 HydrophobicContact CE1-CG1 4.17Å; F368-V384 HydrophobicContact CE2-CG1 4.46Å; F368-V384 HydrophobicContact CZ-CB 4.12Å; F368-V384 HydrophobicContact CZ-CG1 3.54Å; F368-I385 HydrophobicContact CD1-CD1 3.42Å; F368-I385 VanDerWaalsContact CD1-CD1 3.42Å; F368-I385 HydrophobicContact CD1-CG1 4.42Å; F368-I385 HydrophobicContact CE1-CD1 3.49Å; F368-I385 VanDerWaalsContact CE1-CD1 3.49Å; F368-I385 HydrophobicContact CE1-CG1 4.02Å; F368-I388 HydrophobicContact CD1-CD1 3.68Å; F368-I388 HydrophobicContact CE1-CD1 3.52Å; F368-I388 HydrophobicContact CE2-CD1 4.39Å; F368-I388 HydrophobicContact CG-CD1 4.21Å; F368-I388 HydrophobicContact CZ-CD1 3.91Å; F368-I400 HydrophobicContact CB-CD1 3.8Å |
| 369 | K | 96.1 | Very high | 98.1 | Very high | 173 Ų | 173 | 44 Ų | 44 | 75% | 0.752 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 125.5 | 179 | -172.7 | 174.4 | -177.4 | 174.7 | 0 | 111.2 | I365 N366 Q371 | I365-K369 PolarHBondContact O-N 3.45Å; N366-K369 WeakPolarHBondContact O-CB 3.49Å; N366-K369 PolarHBondContact O-N 3.28Å; K369-Q371 PolarHBondContact O-N 3.03Å |
| 370 | G | 97.7 | Very high | 98.2 | Very high | 51 Ų | 51 | 42.3 Ų | 42.3 | 53% | 0.526 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 11.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | F368 E403 | F368-G370 PolarHBondContact O-N 3.15Å; G370-E403 VanDerWaalsContact CA-OE1 3.26Å; G370-E403 WeakPolarHBondContact CA-OE1 3.5Å; G370-E403 WeakPolarHBondContact CA-OE2 3.19Å; G370-E403 PolarHBondContact N-OE1 3.3Å; G370-E403 PolarHBondContact N-OE2 3.12Å |
| 371 | Q | 98.4 | Very high | 98.3 | Very high | 67 Ų | 67 | 41.3 Ų | 41.3 | 31% | 0.313 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -2.4 | 179.3 | -60.8 | -63.8 | -56.2 | 0 | 0 | 112.5 | L337 F368 K369 Y373 S374 L375 E403 | L337-Q371 HydrophobicContact CD1-CG 4.11Å; L337-Q371 HydrophobicContact CD2-CB 4.49Å; L337-Q371 HydrophobicContact CD2-CG 4.39Å; F368-Q371 WeakPolarHBondContact O-CA 3.47Å; F368-Q371 WeakPolarHBondContact O-CB 3.44Å; F368-Q371 PolarHBondContact O-N 3.12Å; K369-Q371 PolarHBondContact O-N 3.03Å; Q371-Y373 VanDerWaalsContact C-N 3.35Å; Q371-Y373 PolarHBondContact O-N 2.86Å; Q371-S374 PolarHBondContact O-N 3.49Å; Q371-L375 HydrophobicContact CB-CD1 3.97Å; Q371-L375 HydrophobicContact CB-CG 4.25Å; Q371-L375 WeakPolarHBondContact O-CB 3.35Å; Q371-L375 VanDerWaalsContact O-CG 3.29Å; Q371-L375 WeakPolarHBondContact O-CG 3.27Å; Q371-L375 PolarHBondContact O-N 3.45Å; Q371-E403 PolarHBondContact N-OE1 3.08Å; Q371-E403 VanDerWaalsContact N-OE1 3.07Å |
| 372 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | -170 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | F368 L375 S376 I385 I400 E403 L404 | F368-V372 WeakPolarHBondContact O-CG2 3.39Å; F368-V372 PolarHBondContact O-N 3.28Å; V372-L375 PolarHBondContact O-N 3.4Å; V372-S376 WeakPolarHBondContact O-CB 3.48Å; V372-S376 PolarHBondContact O-N 3.32Å; V372-S376 PolarHBondContact O-OG 3.02Å; V372-I385 HydrophobicContact CG1-CD1 4.12Å; V372-I400 HydrophobicContact CG1-CG2 4.08Å; V372-I400 HydrophobicContact CG2-CD1 3.8Å; V372-I400 HydrophobicContact CG2-CG2 4.26Å; V372-E403 HydrophobicContact CB-CB 3.95Å; V372-E403 VanDerWaalsContact CB-CD 3.44Å; V372-E403 HydrophobicContact CB-CG 3.82Å; V372-E403 WeakPolarHBondContact CB-OE1 3.34Å; V372-E403 HydrophobicContact CG1-CB 4.38Å; V372-E403 HydrophobicContact CG2-CB 4Å; V372-E403 HydrophobicContact CG2-CG 4.16Å; V372-E403 WeakPolarHBondContact CG2-OE2 3.19Å; V372-E403 PolarHBondContact N-OE1 3.12Å; V372-L404 HydrophobicContact CG1-CD2 3.7Å; V372-L404 HydrophobicContact CG1-CG 3.62Å |
| 373 | Y | 98.7 | Very high | 98.4 | Very high | 86 Ų | 86 | 43.4 Ų | 43.4 | 34% | 0.337 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.9 | -53.9 | 174.5 | 177.8 | -111.3 | 0 | 0 | 0 | 111.9 | Q371 L375 S376 T377 H407 Q410 L411 | Q371-Y373 VanDerWaalsContact C-N 3.35Å; Q371-Y373 PolarHBondContact O-N 2.86Å; Y373-L375 PolarHBondContact O-N 3.07Å; Y373-S376 PolarHBondContact O-N 3.44Å; Y373-S376 VanDerWaalsContact O-N 3.16Å; Y373-T377 HydrophobicContact CD2-CG2 4.27Å; Y373-T377 HydrophobicContact CE2-CG2 3.83Å; Y373-T377 PolarHBondContact O-N 3.16Å; Y373-T377 VanDerWaalsContact O-N 3.07Å; Y373-T377 PolarHBondContact O-OG1 3.05Å; Y373-H407 HydrophobicContact CD2-CB 3.54Å; Y373-H407 AromaticContact CD2-CG 3.75Å; Y373-H407 HydrophobicContact CE2-CB 4.17Å; Y373-H407 HydrophobicContact CG-CB 4.25Å; Y373-H407 AromaticContact CG-CG 3.96Å; Y373-Q410 HydrophobicContact CE2-CB 3.73Å; Y373-Q410 HydrophobicContact CE2-CG 4.48Å; Y373-L411 HydrophobicContact CD2-CD2 3.8Å; Y373-L411 HydrophobicContact CD2-CG 4.09Å; Y373-L411 HydrophobicContact CE2-CD2 3.97Å; Y373-L411 HydrophobicContact CE2-CG 4.26Å |
| 374 | S | 98.8 | Very high | 98.4 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 36% | 0.357 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.2 | -37.4 | -178.8 | 175.7 | 0 | 0 | 0 | 0 | 112.3 | Q371 T377 H378 | Q371-S374 PolarHBondContact O-N 3.49Å; S374-T377 PolarHBondContact O-OG1 3.02Å; S374-H378 WeakPolarHBondContact O-CB 3.43Å; S374-H378 PolarHBondContact O-N 2.97Å |
| 375 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -77.8 | -36.8 | 179.6 | -66.5 | 176.1 | 0 | 0 | 0 | 111.8 | L337 V340 K341 F368 Q371 V372 Y373 T377 H378 G381 C382 I385 | L337-L375 HydrophobicContact CD2-CD1 3.94Å; V340-L375 HydrophobicContact CG1-CD2 3.76Å; K341-L375 HydrophobicContact CG-CD2 4.31Å; F368-L375 HydrophobicContact CD1-CD1 3.54Å; F368-L375 HydrophobicContact CD2-CD1 4.04Å; F368-L375 HydrophobicContact CE1-CD1 3.48Å; F368-L375 VanDerWaalsContact CE1-CD1 3.48Å; F368-L375 HydrophobicContact CE2-CD1 4.01Å; F368-L375 HydrophobicContact CG-CD1 3.82Å; F368-L375 HydrophobicContact CZ-CD1 3.72Å; Q371-L375 HydrophobicContact CB-CD1 3.97Å; Q371-L375 HydrophobicContact CB-CG 4.25Å; Q371-L375 WeakPolarHBondContact O-CB 3.35Å; Q371-L375 VanDerWaalsContact O-CG 3.29Å; Q371-L375 WeakPolarHBondContact O-CG 3.27Å; Q371-L375 PolarHBondContact O-N 3.45Å; V372-L375 PolarHBondContact O-N 3.4Å; Y373-L375 PolarHBondContact O-N 3.07Å; L375-T377 VanDerWaalsContact C-N 3.26Å; L375-T377 PolarHBondContact O-N 3.26Å; L375-H378 WeakPolarHBondContact O-CB 3.44Å; L375-H378 PolarHBondContact O-N 3Å; L375-G381 CarbonylContact O-C 3.49Å; L375-G381 VanDerWaalsContact O-CA 3.26Å; L375-G381 WeakPolarHBondContact O-CA 3.46Å; L375-C382 PolarHBondContact O-N 3.42Å; L375-I385 HydrophobicContact CB-CG1 4.35Å |
| 376 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.8 | -29.8 | 177 | -61.8 | 0 | 0 | 0 | 0 | 112.6 | V372 Y373 H378 C382 L404 Y416 G417 | V372-S376 WeakPolarHBondContact O-CB 3.48Å; V372-S376 PolarHBondContact O-N 3.32Å; V372-S376 PolarHBondContact O-OG 3.02Å; Y373-S376 PolarHBondContact O-N 3.44Å; Y373-S376 VanDerWaalsContact O-N 3.16Å; S376-H378 VanDerWaalsContact C-N 3.34Å; S376-C382 VanDerWaalsContact O-CB 3.29Å; S376-C382 WeakPolarHBondContact O-CB 3.21Å; S376-L404 WeakPolarHBondContact OG-CD2 3.4Å; S376-Y416 CarbonylContact O-C 3.6Å; S376-G417 WeakPolarHBondContact O-CA 3.31Å; S376-G417 PolarHBondContact O-N 3.01Å |
| 377 | T | 98.8 | Very high | 98.5 | Very high | 33 Ų | 33 | 40.7 Ų | 40.7 | 20% | 0.202 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 9 | 173 | 66.1 | 0 | 0 | 0 | 0 | 113.4 | Y373 S374 L375 L411 D414 Y416 | Y373-T377 HydrophobicContact CD2-CG2 4.27Å; Y373-T377 HydrophobicContact CE2-CG2 3.83Å; Y373-T377 PolarHBondContact O-N 3.16Å; Y373-T377 VanDerWaalsContact O-N 3.07Å; Y373-T377 PolarHBondContact O-OG1 3.05Å; S374-T377 PolarHBondContact O-OG1 3.02Å; L375-T377 VanDerWaalsContact C-N 3.26Å; L375-T377 PolarHBondContact O-N 3.26Å; T377-L411 HydrophobicContact CG2-CD2 3.75Å; T377-D414 WeakPolarHBondContact CA-OD1 3.4Å; T377-D414 HydrophobicContact CG2-CB 3.99Å; T377-Y416 WeakPolarHBondContact O-CD2 3.45Å |
| 378 | H | 98.8 | Very high | 98.5 | Very high | 43 Ų | 43 | 39.2 Ų | 39.2 | 20% | 0.199 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -97 | 138.1 | 177.7 | -170.2 | -97.6 | 0 | 0 | 0 | 110.8 | S374 L375 S376 Y380 G381 C382 | S374-H378 WeakPolarHBondContact O-CB 3.43Å; S374-H378 PolarHBondContact O-N 2.97Å; L375-H378 WeakPolarHBondContact O-CB 3.44Å; L375-H378 PolarHBondContact O-N 3Å; S376-H378 VanDerWaalsContact C-N 3.34Å; H378-Y380 AromaticContact CE1-CD2 3.54Å; H378-Y380 AromaticContact CE1-CG 3.95Å; H378-Y380 PolarHBondContact ND1-N 2.95Å; H378-Y380 PolarHBondContact O-N 3.08Å; H378-G381 PolarHBondContact ND1-N 3.34Å; H378-G381 PolarHBondContact O-N 3.14Å; H378-C382 PolarHBondContact O-N 3.16Å; H378-C382 VanDerWaalsContact O-N 3.13Å; H378-C382 PolarHBondContact O-SG 3.15Å; H378-C382 VanDerWaalsContact O-SG 3.39Å |
| 379 | P | 98.4 | Very high | 98.5 | Very high | 42 Ų | 42 | 40.8 Ų | 40.8 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.7 | -178.6 | 18.3 | -33 | 0 | 0 | 0 | 114.8 | Y416 | P379-Y416 HydrophobicContact CB-CD1 4.46Å; P379-Y416 HydrophobicContact CB-CE1 3.86Å; P379-Y416 HydrophobicContact CB-CE2 4.01Å; P379-Y416 HydrophobicContact CG-CE2 4.36Å |
| 380 | Y | 98.7 | Very high | 98.7 | Very high | 77 Ų | 77 | 36.4 Ų | 36.4 | 30% | 0.302 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -34.5 | 177.8 | -47.6 | -34.7 | 0 | 0 | 0 | 112.4 | V340 Q343 N346 H378 C382 R383 V384 | V340-Y380 WeakPolarHBondContact O-CB 3.41Å; Q343-Y380 HydrophobicContact CB-CE2 4.09Å; N346-Y380 HydrophobicContact CB-CG 4.42Å; H378-Y380 AromaticContact CE1-CD2 3.54Å; H378-Y380 AromaticContact CE1-CG 3.95Å; H378-Y380 PolarHBondContact ND1-N 2.95Å; H378-Y380 PolarHBondContact O-N 3.08Å; Y380-C382 VanDerWaalsContact C-N 3.31Å; Y380-C382 PolarHBondContact O-N 3.03Å; Y380-R383 WeakPolarHBondContact O-CB 3.41Å; Y380-R383 PolarHBondContact O-N 3.31Å; Y380-V384 PolarHBondContact O-N 3.03Å |
| 381 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.5 | -35.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L375 H378 R383 V384 I385 | L375-G381 CarbonylContact O-C 3.49Å; L375-G381 VanDerWaalsContact O-CA 3.26Å; L375-G381 WeakPolarHBondContact O-CA 3.46Å; H378-G381 PolarHBondContact ND1-N 3.34Å; H378-G381 PolarHBondContact O-N 3.14Å; G381-R383 PolarHBondContact O-N 3.39Å; G381-V384 PolarHBondContact O-N 3.22Å; G381-I385 WeakPolarHBondContact O-CG1 3.38Å; G381-I385 PolarHBondContact O-N 3.22Å |
| 382 | C | 98.7 | Very high | 98.7 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.9 | -30.5 | 178.8 | 70.2 | 0 | 0 | 0 | 0 | 112.4 | L375 S376 H378 Y380 Q386 V420 | L375-C382 PolarHBondContact O-N 3.42Å; S376-C382 VanDerWaalsContact O-CB 3.29Å; S376-C382 WeakPolarHBondContact O-CB 3.21Å; H378-C382 PolarHBondContact O-N 3.16Å; H378-C382 VanDerWaalsContact O-N 3.13Å; H378-C382 PolarHBondContact O-SG 3.15Å; H378-C382 VanDerWaalsContact O-SG 3.39Å; Y380-C382 VanDerWaalsContact C-N 3.31Å; Y380-C382 PolarHBondContact O-N 3.03Å; C382-Q386 WeakPolarHBondContact O-CG 3.47Å; C382-Q386 PolarHBondContact O-N 3.05Å; C382-Q386 PolarHBondContact O-NE2 2.69Å; C382-V420 HydrophobicContact CB-CG2 3.87Å |
| 383 | R | 98.8 | Very high | 98.7 | Very high | 116 Ų | 116 | 37.8 Ų | 37.8 | 44% | 0.438 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -73 | -39.7 | 176.6 | -60.6 | -176.7 | 174.3 | -179.9 | -3.6 | 111.4 | Y380 G381 Q386 R387 | Y380-R383 WeakPolarHBondContact O-CB 3.41Å; Y380-R383 PolarHBondContact O-N 3.31Å; G381-R383 PolarHBondContact O-N 3.39Å; R383-Q386 PolarHBondContact O-N 3.39Å; R383-R387 PolarHBondContact O-N 3.14Å |
| 384 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.8 | -42.1 | 176.9 | -172.6 | 0 | 0 | 0 | 0 | 110.6 | V340 N346 V349 Q350 I353 F368 Y380 G381 Q386 R387 I388 | V340-V384 HydrophobicContact CG1-CB 4.34Å; V340-V384 HydrophobicContact CG1-CG2 3.99Å; V340-V384 HydrophobicContact CG2-CG1 4.24Å; V340-V384 HydrophobicContact CG2-CG2 4.25Å; N346-V384 HydrophobicContact CB-CG2 4.49Å; V349-V384 HydrophobicContact CG1-CG1 3.7Å; Q350-V384 HydrophobicContact CG-CG2 4.04Å; I353-V384 HydrophobicContact CD1-CG1 3.62Å; F368-V384 HydrophobicContact CE1-CG1 4.17Å; F368-V384 HydrophobicContact CE2-CG1 4.46Å; F368-V384 HydrophobicContact CZ-CB 4.12Å; F368-V384 HydrophobicContact CZ-CG1 3.54Å; Y380-V384 PolarHBondContact O-N 3.03Å; G381-V384 PolarHBondContact O-N 3.22Å; V384-Q386 VanDerWaalsContact C-N 3.31Å; V384-Q386 PolarHBondContact O-N 3.48Å; V384-R387 PolarHBondContact O-N 3Å; V384-I388 HydrophobicContact CG1-CD1 4.36Å; V384-I388 WeakPolarHBondContact O-CG1 3.38Å; V384-I388 PolarHBondContact O-N 3.41Å |
| 385 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.7 | -46.8 | 172.8 | -66.9 | -73.8 | 0 | 0 | 0 | 110.9 | F368 V372 L375 G381 R387 I388 L389 I400 L404 V420 | F368-I385 HydrophobicContact CD1-CD1 3.42Å; F368-I385 VanDerWaalsContact CD1-CD1 3.42Å; F368-I385 HydrophobicContact CD1-CG1 4.42Å; F368-I385 HydrophobicContact CE1-CD1 3.49Å; F368-I385 VanDerWaalsContact CE1-CD1 3.49Å; F368-I385 HydrophobicContact CE1-CG1 4.02Å; V372-I385 HydrophobicContact CG1-CD1 4.12Å; L375-I385 HydrophobicContact CB-CG1 4.35Å; G381-I385 WeakPolarHBondContact O-CG1 3.38Å; G381-I385 PolarHBondContact O-N 3.22Å; I385-R387 PolarHBondContact O-N 3.45Å; I385-I388 WeakPolarHBondContact O-CB 3.5Å; I385-I388 PolarHBondContact O-N 2.79Å; I385-I388 VanDerWaalsContact O-N 3.17Å; I385-L389 HydrophobicContact CG2-CD1 4.08Å; I385-L389 HydrophobicContact CG2-CG 4.42Å; I385-L389 WeakPolarHBondContact O-CG 3.43Å; I385-L389 PolarHBondContact O-N 3.48Å; I385-I400 HydrophobicContact CD1-CG2 4.09Å; I385-I400 HydrophobicContact CG2-CG2 4.44Å; I385-L404 HydrophobicContact CG2-CD1 4.44Å; I385-V420 HydrophobicContact CG2-CG1 3.61Å; I385-V420 HydrophobicContact CG2-CG2 4.34Å |
| 386 | Q | 98.8 | Very high | 98.6 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 15% | 0.154 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.2 | -43.6 | 177.4 | -74 | 165.7 | 79.7 | 0 | 0 | 112.2 | C382 R383 V384 I388 L389 E390 H423 | C382-Q386 WeakPolarHBondContact O-CG 3.47Å; C382-Q386 PolarHBondContact O-N 3.05Å; C382-Q386 PolarHBondContact O-NE2 2.69Å; R383-Q386 PolarHBondContact O-N 3.39Å; V384-Q386 VanDerWaalsContact C-N 3.31Å; V384-Q386 PolarHBondContact O-N 3.48Å; Q386-I388 VanDerWaalsContact C-N 3.32Å; Q386-I388 PolarHBondContact O-N 2.68Å; Q386-L389 PolarHBondContact O-N 2.94Å; Q386-E390 VanDerWaalsContact O-CG 3.27Å; Q386-E390 WeakPolarHBondContact O-CG 3.42Å; Q386-E390 PolarHBondContact O-N 3.31Å; Q386-H423 HydrophobicContact CG-CB 4.03Å |
| 387 | R | 98.8 | Very high | 98.6 | Very high | 46 Ų | 46 | 42.1 Ų | 42.1 | 17% | 0.174 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.2 | -39.5 | 174.8 | -64.9 | -56.8 | 84.7 | 78.8 | -1.5 | 112.3 | Q350 I353 E354 R383 V384 I385 L389 E390 H391 | Q350-R387 HydrophobicContact CB-CG 3.92Å; Q350-R387 HydrophobicContact CG-CG 3.68Å; I353-R387 HydrophobicContact CB-CB 4.13Å; I353-R387 HydrophobicContact CD1-CB 4.12Å; I353-R387 HydrophobicContact CG2-CB 3.78Å; I353-R387 VanDerWaalsContact CG2-O 3.29Å; I353-R387 WeakPolarHBondContact CG2-O 3.27Å; E354-R387 WeakPolarHBondContact OE1-CD 3.49Å; R383-R387 PolarHBondContact O-N 3.14Å; V384-R387 PolarHBondContact O-N 3Å; I385-R387 PolarHBondContact O-N 3.45Å; R387-L389 VanDerWaalsContact C-N 3.34Å; R387-L389 PolarHBondContact O-N 3.1Å; R387-E390 IonicContact CZ-OE1 3.91Å; R387-E390 IonicContact CZ-OE2 3.76Å; R387-E390 VanDerWaalsContact CZ-OE2 3.32Å; R387-E390 IonicContact NE-OE1 2.95Å; R387-E390 IonicContact NE-OE2 2.8Å; R387-E390 PolarHBondContact NE-OE2 3.45Å; R387-E390 VanDerWaalsContact NH2-CD 3.31Å; R387-E390 IonicContact NH2-OE1 2.85Å; R387-E390 PolarHBondContact NH2-OE1 3.15Å; R387-E390 IonicContact NH2-OE2 2.73Å; R387-E390 PolarHBondContact NH2-OE2 3.28Å; R387-E390 VanDerWaalsContact NH2-OE2 3.14Å; R387-E390 PolarHBondContact O-N 2.92Å; R387-H391 PolarHBondContact O-CD2 3.15Å; R387-H391 PolarHBondContact O-N 2.89Å |
| 388 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.5 | -47.5 | 175.5 | -69.2 | 168.9 | 0 | 0 | 0 | 110.1 | I353 I365 F368 V384 I385 Q386 E390 C392 T397 I400 | I353-I388 HydrophobicContact CD1-CG1 3.78Å; I365-I388 HydrophobicContact CD1-CD1 4.08Å; I365-I388 HydrophobicContact CD1-CG1 4.13Å; I365-I388 HydrophobicContact CD1-CG2 3.64Å; F368-I388 HydrophobicContact CD1-CD1 3.68Å; F368-I388 HydrophobicContact CE1-CD1 3.52Å; F368-I388 HydrophobicContact CE2-CD1 4.39Å; F368-I388 HydrophobicContact CG-CD1 4.21Å; F368-I388 HydrophobicContact CZ-CD1 3.91Å; V384-I388 HydrophobicContact CG1-CD1 4.36Å; V384-I388 WeakPolarHBondContact O-CG1 3.38Å; V384-I388 PolarHBondContact O-N 3.41Å; I385-I388 WeakPolarHBondContact O-CB 3.5Å; I385-I388 PolarHBondContact O-N 2.79Å; I385-I388 VanDerWaalsContact O-N 3.17Å; Q386-I388 VanDerWaalsContact C-N 3.32Å; Q386-I388 PolarHBondContact O-N 2.68Å; I388-E390 PolarHBondContact O-N 2.67Å; I388-C392 HydrophobicContact CG2-CB 4.15Å; I388-C392 WeakPolarHBondContact O-CB 3.4Å; I388-C392 PolarHBondContact O-N 2.78Å; I388-T397 HydrophobicContact CG2-CG2 4.4Å; I388-T397 WeakPolarHBondContact O-CG2 2.93Å; I388-I400 HydrophobicContact CG2-CG1 4.18Å |
| 389 | L | 98.6 | Very high | 98.5 | Very high | 33 Ų | 33 | 44 Ų | 44 | 17% | 0.173 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.1 | -25.5 | 179.9 | -63.9 | 175.4 | 0 | 0 | 0 | 113.5 | I385 Q386 R387 T397 I400 L401 L404 V420 V424 | I385-L389 HydrophobicContact CG2-CD1 4.08Å; I385-L389 HydrophobicContact CG2-CG 4.42Å; I385-L389 WeakPolarHBondContact O-CG 3.43Å; I385-L389 PolarHBondContact O-N 3.48Å; Q386-L389 PolarHBondContact O-N 2.94Å; R387-L389 VanDerWaalsContact C-N 3.34Å; R387-L389 PolarHBondContact O-N 3.1Å; L389-T397 HydrophobicContact CD2-CG2 4.39Å; L389-I400 HydrophobicContact CD2-CG2 4.35Å; L389-L401 HydrophobicContact CD2-CD2 3.95Å; L389-L401 HydrophobicContact CD2-CG 3.98Å; L389-L404 HydrophobicContact CD1-CD1 4.25Å; L389-V420 HydrophobicContact CD1-CG1 4.35Å; L389-V424 HydrophobicContact CD1-CG2 3.87Å |
| 390 | E | 98.4 | Very high | 98.5 | Very high | 80 Ų | 80 | 42 Ų | 42 | 37% | 0.374 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -85.5 | -38 | 179.7 | -71.5 | 164.1 | -166.7 | 0 | 0 | 113.7 | Q386 R387 I388 H423 | Q386-E390 VanDerWaalsContact O-CG 3.27Å; Q386-E390 WeakPolarHBondContact O-CG 3.42Å; Q386-E390 PolarHBondContact O-N 3.31Å; R387-E390 IonicContact CZ-OE1 3.91Å; R387-E390 IonicContact CZ-OE2 3.76Å; R387-E390 VanDerWaalsContact CZ-OE2 3.32Å; R387-E390 IonicContact NE-OE1 2.95Å; R387-E390 IonicContact NE-OE2 2.8Å; R387-E390 PolarHBondContact NE-OE2 3.45Å; R387-E390 VanDerWaalsContact NH2-CD 3.31Å; R387-E390 IonicContact NH2-OE1 2.85Å; R387-E390 PolarHBondContact NH2-OE1 3.15Å; R387-E390 IonicContact NH2-OE2 2.73Å; R387-E390 PolarHBondContact NH2-OE2 3.28Å; R387-E390 VanDerWaalsContact NH2-OE2 3.14Å; R387-E390 PolarHBondContact O-N 2.92Å; I388-E390 PolarHBondContact O-N 2.67Å; E390-H423 WeakPolarHBondContact CG-CE1 3.42Å; E390-H423 WeakPolarHBondContact CG-NE2 3.25Å; E390-H423 IonicContact OE1-CE1 2.65Å; E390-H423 PolarHBondContact OE1-CE1 3.47Å; E390-H423 IonicContact OE1-ND1 2.65Å; E390-H423 PolarHBondContact OE1-ND1 3.2Å; E390-H423 IonicContact OE1-NE2 2.82Å |
| 391 | H | 98.4 | Very high | 98.5 | Very high | 78 Ų | 78 | 38.9 Ų | 38.9 | 36% | 0.361 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -117.4 | -20 | -164.9 | -67.1 | -79.3 | 0 | 0 | 0 | 114.9 | I353 P358 R387 | I353-H391 HydrophobicContact CG2-CB 3.75Å; I353-H391 WeakPolarHBondContact O-CB 3.49Å; P358-H391 WeakPolarHBondContact CG-O 3.3Å; R387-H391 PolarHBondContact O-CD2 3.15Å; R387-H391 PolarHBondContact O-N 2.89Å |
| 392 | C | 98.3 | Very high | 98.5 | Very high | 17 Ų | 17 | 43.1 Ų | 43.1 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -83.4 | 163.7 | -178.8 | -64.1 | 0 | 0 | 0 | 0 | 112 | I388 Q396 T397 | I388-C392 HydrophobicContact CG2-CB 4.15Å; I388-C392 WeakPolarHBondContact O-CB 3.4Å; I388-C392 PolarHBondContact O-N 2.78Å; C392-Q396 HydrophobicContact CB-CB 3.87Å; C392-T397 HydrophobicContact CB-CG2 4.02Å |
| 393 | T | 98.4 | Very high | 98.5 | Very high | 52 Ų | 52 | 44.1 Ų | 44.1 | 32% | 0.319 | 23% | 0.228 | S | C | . | . | trans | -67.4 | 165.2 | 179.7 | 59.2 | 0 | 0 | 0 | 0 | 112.5 | P358 E395 Q396 T397 | P358-T393 HydrophobicContact CB-CG2 3.93Å; T393-E395 VanDerWaalsContact C-N 3.26Å; T393-E395 WeakPolarHBondContact CB-OE2 3.36Å; T393-E395 PolarHBondContact O-N 3.45Å; T393-Q396 VanDerWaalsContact N-OE1 3.09Å; T393-Q396 PolarHBondContact O-N 3.45Å; T393-Q396 VanDerWaalsContact O-N 3.17Å; T393-Q396 WeakPolarHBondContact OG1-CB 3.42Å; T393-Q396 VanDerWaalsContact OG1-CD 3.27Å; T393-Q396 WeakPolarHBondContact OG1-CG 3.21Å; T393-Q396 PolarHBondContact OG1-N 3.42Å; T393-Q396 PolarHBondContact OG1-OE1 2.85Å; T393-T397 WeakPolarHBondContact O-CG2 3.24Å; T393-T397 PolarHBondContact O-N 3.26Å; T393-T397 PolarHBondContact O-OG1 3.09Å | ||
| 394 | A | 97.6 | Very high | 98.5 | Very high | 58 Ų | 58 | 38.7 Ų | 38.7 | 48% | 0.479 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.4 | -39.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q396 T397 T398 | A394-Q396 VanDerWaalsContact C-N 3.26Å; A394-Q396 PolarHBondContact O-N 3.04Å; A394-T397 WeakPolarHBondContact CA-OG1 3.46Å; A394-T397 PolarHBondContact O-N 2.91Å; A394-T397 PolarHBondContact O-OG1 2.82Å; A394-T398 WeakPolarHBondContact O-CB 3.48Å; A394-T398 PolarHBondContact O-N 3.29Å; A394-T398 PolarHBondContact O-OG1 3.43Å |
| 395 | E | 98.1 | Very high | 98.5 | Very high | 150 Ų | 150 | 40.2 Ų | 40.2 | 70% | 0.701 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -64.4 | -32.5 | 178.4 | -63 | 71.9 | -157.7 | 0 | 0 | 111.7 | T393 P399 | T393-E395 VanDerWaalsContact C-N 3.26Å; T393-E395 WeakPolarHBondContact CB-OE2 3.36Å; T393-E395 PolarHBondContact O-N 3.45Å; E395-P399 WeakPolarHBondContact O-CD 3.41Å |
| 396 | Q | 98.5 | Very high | 98.5 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 2% | 0.023 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -82.3 | -36 | 177.7 | -75 | 172.7 | -38 | 0 | 0 | 113.3 | P358 Q362 I365 C392 T393 A394 P399 | P358-Q396 PolarHBondContact O-NE2 3.12Å; Q362-Q396 VanDerWaalsContact OE1-CG 3.25Å; I365-Q396 HydrophobicContact CD1-CB 4.33Å; I365-Q396 HydrophobicContact CG1-CB 4.02Å; I365-Q396 HydrophobicContact CG1-CG 4.01Å; I365-Q396 HydrophobicContact CG2-CB 4.48Å; C392-Q396 HydrophobicContact CB-CB 3.87Å; T393-Q396 VanDerWaalsContact N-OE1 3.09Å; T393-Q396 PolarHBondContact O-N 3.45Å; T393-Q396 VanDerWaalsContact O-N 3.17Å; T393-Q396 WeakPolarHBondContact OG1-CB 3.42Å; T393-Q396 VanDerWaalsContact OG1-CD 3.27Å; T393-Q396 WeakPolarHBondContact OG1-CG 3.21Å; T393-Q396 PolarHBondContact OG1-N 3.42Å; T393-Q396 PolarHBondContact OG1-OE1 2.85Å; A394-Q396 VanDerWaalsContact C-N 3.26Å; A394-Q396 PolarHBondContact O-N 3.04Å; Q396-P399 WeakPolarHBondContact O-CD 3.11Å; Q396-P399 WeakPolarHBondContact O-CG 3.42Å |
| 397 | T | 98.5 | Very high | 98.4 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -80.1 | -29.2 | -178.4 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | I388 L389 C392 T393 A394 I400 L401 | I388-T397 HydrophobicContact CG2-CG2 4.4Å; I388-T397 WeakPolarHBondContact O-CG2 2.93Å; L389-T397 HydrophobicContact CD2-CG2 4.39Å; C392-T397 HydrophobicContact CB-CG2 4.02Å; T393-T397 WeakPolarHBondContact O-CG2 3.24Å; T393-T397 PolarHBondContact O-N 3.26Å; T393-T397 PolarHBondContact O-OG1 3.09Å; A394-T397 WeakPolarHBondContact CA-OG1 3.46Å; A394-T397 PolarHBondContact O-N 2.91Å; A394-T397 PolarHBondContact O-OG1 2.82Å; T397-I400 WeakPolarHBondContact O-CB 3.39Å; T397-I400 PolarHBondContact O-N 2.85Å; T397-I400 VanDerWaalsContact O-N 3.12Å; T397-L401 WeakPolarHBondContact O-CG 3.22Å; T397-L401 PolarHBondContact O-N 2.88Å |
| 398 | T | 98.4 | Very high | 98.4 | Very high | 54 Ų | 54 | 45.9 Ų | 45.9 | 33% | 0.331 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -51.9 | -55.9 | 177.9 | -62.7 | 0 | 0 | 0 | 0 | 113.5 | A394 I400 L401 D402 | A394-T398 WeakPolarHBondContact O-CB 3.48Å; A394-T398 PolarHBondContact O-N 3.29Å; A394-T398 PolarHBondContact O-OG1 3.43Å; T398-I400 PolarHBondContact O-N 3.03Å; T398-L401 PolarHBondContact O-N 2.97Å; T398-L401 VanDerWaalsContact O-N 3.07Å; T398-D402 VanDerWaalsContact O-CG 3.31Å; T398-D402 PolarHBondContact O-N 3.4Å |
| 399 | P | 98.3 | Very high | 98.4 | Very high | 60 Ų | 60 | 50.6 Ų | 50.6 | 39% | 0.39 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.9 | -25.6 | 179.9 | 25.5 | -35.9 | 0 | 0 | 0 | 113.6 | I365 E395 Q396 E403 | I365-P399 HydrophobicContact CG2-CG 4.49Å; E395-P399 WeakPolarHBondContact O-CD 3.41Å; Q396-P399 WeakPolarHBondContact O-CD 3.11Å; Q396-P399 WeakPolarHBondContact O-CG 3.42Å; P399-E403 PolarHBondContact O-N 2.84Å |
| 400 | I | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73 | -42.4 | 174.9 | -55.7 | -63 | 0 | 0 | 0 | 110.3 | I365 F368 V372 I385 I388 L389 T397 T398 L404 | I365-I400 HydrophobicContact CG2-CD1 4.44Å; F368-I400 HydrophobicContact CB-CD1 3.8Å; V372-I400 HydrophobicContact CG1-CG2 4.08Å; V372-I400 HydrophobicContact CG2-CD1 3.8Å; V372-I400 HydrophobicContact CG2-CG2 4.26Å; I385-I400 HydrophobicContact CD1-CG2 4.09Å; I385-I400 HydrophobicContact CG2-CG2 4.44Å; I388-I400 HydrophobicContact CG2-CG1 4.18Å; L389-I400 HydrophobicContact CD2-CG2 4.35Å; T397-I400 WeakPolarHBondContact O-CB 3.39Å; T397-I400 PolarHBondContact O-N 2.85Å; T397-I400 VanDerWaalsContact O-N 3.12Å; T398-I400 PolarHBondContact O-N 3.03Å; I400-L404 HydrophobicContact CG2-CD1 4.31Å; I400-L404 WeakPolarHBondContact O-CB 3.46Å; I400-L404 VanDerWaalsContact O-CG 3.3Å; I400-L404 WeakPolarHBondContact O-CG 3.13Å; I400-L404 PolarHBondContact O-N 3.47Å |
| 401 | L | 98.7 | Very high | 98.4 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.7 | -42 | 176.4 | -73.5 | 165.7 | 0 | 0 | 0 | 111.6 | L389 T397 T398 E403 L404 H405 V424 | L389-L401 HydrophobicContact CD2-CD2 3.95Å; L389-L401 HydrophobicContact CD2-CG 3.98Å; T397-L401 WeakPolarHBondContact O-CG 3.22Å; T397-L401 PolarHBondContact O-N 2.88Å; T398-L401 PolarHBondContact O-N 2.97Å; T398-L401 VanDerWaalsContact O-N 3.07Å; L401-E403 PolarHBondContact O-N 2.92Å; L401-L404 HydrophobicContact CD2-CD1 4.34Å; L401-L404 WeakPolarHBondContact O-CB 3.29Å; L401-L404 PolarHBondContact O-N 3Å; L401-H405 PolarHBondContact O-CD2 2.81Å; L401-H405 VanDerWaalsContact O-CG 3.26Å; L401-H405 PolarHBondContact O-N 3Å; L401-V424 HydrophobicContact CD2-CG1 4.2Å; L401-V424 HydrophobicContact CD2-CG2 3.95Å |
| 402 | D | 98.5 | Very high | 98.4 | Very high | 89 Ų | 89 | 46 Ų | 46 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.3 | -50.2 | 176.9 | -67.8 | -22.1 | 0 | 0 | 0 | 111.1 | T398 L404 H405 E406 | T398-D402 VanDerWaalsContact O-CG 3.31Å; T398-D402 PolarHBondContact O-N 3.4Å; D402-L404 PolarHBondContact O-N 3.3Å; D402-H405 PolarHBondContact O-N 3.37Å; D402-E406 PolarHBondContact O-N 3.43Å |
| 403 | E | 98.4 | Very high | 98.5 | Very high | 26 Ų | 26 | 49.3 Ų | 49.3 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.2 | -31.5 | 178.4 | -163.6 | 179.9 | 142.7 | 0 | 0 | 112.5 | G370 Q371 V372 P399 L401 H405 H407 | G370-E403 VanDerWaalsContact CA-OE1 3.26Å; G370-E403 WeakPolarHBondContact CA-OE1 3.5Å; G370-E403 WeakPolarHBondContact CA-OE2 3.19Å; G370-E403 PolarHBondContact N-OE1 3.3Å; G370-E403 PolarHBondContact N-OE2 3.12Å; Q371-E403 PolarHBondContact N-OE1 3.08Å; Q371-E403 VanDerWaalsContact N-OE1 3.07Å; V372-E403 HydrophobicContact CB-CB 3.95Å; V372-E403 VanDerWaalsContact CB-CD 3.44Å; V372-E403 HydrophobicContact CB-CG 3.82Å; V372-E403 WeakPolarHBondContact CB-OE1 3.34Å; V372-E403 HydrophobicContact CG1-CB 4.38Å; V372-E403 HydrophobicContact CG2-CB 4Å; V372-E403 HydrophobicContact CG2-CG 4.16Å; V372-E403 WeakPolarHBondContact CG2-OE2 3.19Å; V372-E403 PolarHBondContact N-OE1 3.12Å; P399-E403 PolarHBondContact O-N 2.84Å; L401-E403 PolarHBondContact O-N 2.92Å; E403-H405 VanDerWaalsContact C-N 3.35Å; E403-H407 PolarHBondContact O-CD2 2.82Å; E403-H407 VanDerWaalsContact O-CD2 3.29Å |
| 404 | L | 98.5 | Very high | 98.5 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 170.9 | -79.6 | 171.3 | 0 | 0 | 0 | 111.3 | V372 S376 I385 L389 I400 L401 D402 E406 H407 T408 L411 V420 | V372-L404 HydrophobicContact CG1-CD2 3.7Å; V372-L404 HydrophobicContact CG1-CG 3.62Å; S376-L404 WeakPolarHBondContact OG-CD2 3.4Å; I385-L404 HydrophobicContact CG2-CD1 4.44Å; L389-L404 HydrophobicContact CD1-CD1 4.25Å; I400-L404 HydrophobicContact CG2-CD1 4.31Å; I400-L404 WeakPolarHBondContact O-CB 3.46Å; I400-L404 VanDerWaalsContact O-CG 3.3Å; I400-L404 WeakPolarHBondContact O-CG 3.13Å; I400-L404 PolarHBondContact O-N 3.47Å; L401-L404 HydrophobicContact CD2-CD1 4.34Å; L401-L404 WeakPolarHBondContact O-CB 3.29Å; L401-L404 PolarHBondContact O-N 3Å; D402-L404 PolarHBondContact O-N 3.3Å; L404-E406 VanDerWaalsContact C-N 3.28Å; L404-E406 PolarHBondContact O-N 3.24Å; L404-H407 CarbonylContact O-C 3.33Å; L404-H407 PolarHBondContact O-N 3.32Å; L404-T408 PolarHBondContact O-N 2.99Å; L404-L411 HydrophobicContact CD2-CD1 3.49Å; L404-L411 VanDerWaalsContact CD2-CD1 3.49Å; L404-V420 HydrophobicContact CD1-CG1 3.88Å; L404-V420 HydrophobicContact CD2-CG1 3.81Å |
| 405 | H | 98.6 | Very high | 98.5 | Very high | 32 Ų | 32 | 50.4 Ų | 50.4 | 15% | 0.148 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.9 | -34.4 | -176.6 | -71.6 | -44.6 | 0 | 0 | 0 | 111.8 | L401 D402 E403 H407 T408 D432 I435 | L401-H405 PolarHBondContact O-CD2 2.81Å; L401-H405 VanDerWaalsContact O-CG 3.26Å; L401-H405 PolarHBondContact O-N 3Å; D402-H405 PolarHBondContact O-N 3.37Å; E403-H405 VanDerWaalsContact C-N 3.35Å; H405-H407 PolarHBondContact O-N 3.43Å; H405-T408 WeakPolarHBondContact CA-OG1 3.29Å; H405-T408 PolarHBondContact O-N 3.23Å; H405-T408 PolarHBondContact O-OG1 3.4Å; H405-D432 IonicContact CD2-OD1 2.99Å; H405-D432 IonicContact CE1-OD1 2.7Å; H405-D432 IonicContact NE2-OD1 3.7Å; H405-D432 PolarHBondContact NE2-OD1 2.88Å; H405-I435 HydrophobicContact CB-CG2 4.27Å; H405-I435 WeakPolarHBondContact ND1-CG2 3.45Å |
| 406 | E | 98.4 | Very high | 98.6 | Very high | 144 Ų | 144 | 46.6 Ų | 46.6 | 67% | 0.673 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -59.5 | -23.7 | 173.2 | -67.6 | 178.2 | -164.8 | 0 | 0 | 113.8 | D402 L404 | D402-E406 PolarHBondContact O-N 3.43Å; L404-E406 VanDerWaalsContact C-N 3.28Å; L404-E406 PolarHBondContact O-N 3.24Å |
| 407 | H | 98.4 | Very high | 98.6 | Very high | 50 Ų | 50 | 46.4 Ų | 46.4 | 23% | 0.231 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 18.1 | -174.3 | -61.4 | -61.4 | 0 | 0 | 0 | 114 | Y373 E403 L404 H405 E409 Q410 L411 | Y373-H407 HydrophobicContact CD2-CB 3.54Å; Y373-H407 AromaticContact CD2-CG 3.75Å; Y373-H407 HydrophobicContact CE2-CB 4.17Å; Y373-H407 HydrophobicContact CG-CB 4.25Å; Y373-H407 AromaticContact CG-CG 3.96Å; E403-H407 PolarHBondContact O-CD2 2.82Å; E403-H407 VanDerWaalsContact O-CD2 3.29Å; L404-H407 CarbonylContact O-C 3.33Å; L404-H407 PolarHBondContact O-N 3.32Å; H405-H407 PolarHBondContact O-N 3.43Å; H407-E409 VanDerWaalsContact C-N 3.32Å; H407-E409 PolarHBondContact O-N 2.79Å; H407-Q410 PolarHBondContact O-N 3.42Å; H407-Q410 PolarHBondContact O-OE1 3.09Å; H407-L411 HydrophobicContact CB-CD1 4.11Å; H407-L411 HydrophobicContact CB-CG 4.26Å; H407-L411 VanDerWaalsContact O-CG 3.28Å; H407-L411 WeakPolarHBondContact O-CG 3.39Å; H407-L411 PolarHBondContact O-N 3.22Å |
| 408 | T | 98.5 | Very high | 98.6 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -51.3 | -47.5 | -174 | -61 | 0 | 0 | 0 | 0 | 112.9 | L404 H405 Q410 L411 I412 L436 S439 | L404-T408 PolarHBondContact O-N 2.99Å; H405-T408 WeakPolarHBondContact CA-OG1 3.29Å; H405-T408 PolarHBondContact O-N 3.23Å; H405-T408 PolarHBondContact O-OG1 3.4Å; T408-Q410 VanDerWaalsContact C-N 3.33Å; T408-Q410 PolarHBondContact O-N 2.76Å; T408-L411 PolarHBondContact O-N 3.47Å; T408-I412 HydrophobicContact CG2-CD1 3.64Å; T408-I412 HydrophobicContact CG2-CG1 4.19Å; T408-I412 WeakPolarHBondContact O-CG1 3.35Å; T408-I412 PolarHBondContact O-N 2.78Å; T408-L436 HydrophobicContact CG2-CD2 3.54Å; T408-S439 WeakPolarHBondContact CG2-OG 3.48Å |
| 409 | E | 97.9 | Very high | 98.6 | Very high | 100 Ų | 100 | 49 Ų | 49 | 47% | 0.467 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.6 | -38.2 | -173.6 | -58.5 | -165.9 | -179.6 | 0 | 0 | 113 | H407 Q413 K443 | H407-E409 VanDerWaalsContact C-N 3.32Å; H407-E409 PolarHBondContact O-N 2.79Å; E409-Q413 PolarHBondContact O-NE2 3.09Å; E409-K443 IonicContact OE1-NZ 3.62Å; E409-K443 PolarHBondContact OE1-NZ 3.28Å; E409-K443 IonicContact OE2-NZ 2.67Å; E409-K443 PolarHBondContact OE2-NZ 3.45Å |
| 410 | Q | 98.7 | Very high | 98.6 | Very high | 91 Ų | 91 | 46.1 Ų | 46.1 | 43% | 0.425 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70.6 | -45.2 | 176.4 | -61.9 | 87.9 | -27.4 | 0 | 0 | 110.3 | Y373 H407 T408 I412 Q413 D414 | Y373-Q410 HydrophobicContact CE2-CB 3.73Å; Y373-Q410 HydrophobicContact CE2-CG 4.48Å; H407-Q410 PolarHBondContact O-N 3.42Å; H407-Q410 PolarHBondContact O-OE1 3.09Å; T408-Q410 VanDerWaalsContact C-N 3.33Å; T408-Q410 PolarHBondContact O-N 2.76Å; Q410-I412 PolarHBondContact O-N 3.49Å; Q410-Q413 PolarHBondContact O-N 3.11Å; Q410-D414 PolarHBondContact O-N 2.93Å; Q410-D414 VanDerWaalsContact O-N 3.09Å |
| 411 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.7 | -36.9 | -176.6 | -69 | 173.1 | 0 | 0 | 0 | 112.8 | Y373 T377 L404 H407 T408 Q413 D414 G417 N418 I421 | Y373-L411 HydrophobicContact CD2-CD2 3.8Å; Y373-L411 HydrophobicContact CD2-CG 4.09Å; Y373-L411 HydrophobicContact CE2-CD2 3.97Å; Y373-L411 HydrophobicContact CE2-CG 4.26Å; T377-L411 HydrophobicContact CG2-CD2 3.75Å; L404-L411 HydrophobicContact CD2-CD1 3.49Å; L404-L411 VanDerWaalsContact CD2-CD1 3.49Å; H407-L411 HydrophobicContact CB-CD1 4.11Å; H407-L411 HydrophobicContact CB-CG 4.26Å; H407-L411 VanDerWaalsContact O-CG 3.28Å; H407-L411 WeakPolarHBondContact O-CG 3.39Å; H407-L411 PolarHBondContact O-N 3.22Å; T408-L411 PolarHBondContact O-N 3.47Å; L411-Q413 PolarHBondContact O-N 2.97Å; L411-Q413 VanDerWaalsContact O-N 3.17Å; L411-D414 PolarHBondContact O-N 2.74Å; L411-G417 CarbonylContact O-C 3.09Å; L411-N418 WeakPolarHBondContact O-CA 3.3Å; L411-N418 PolarHBondContact O-N 3.38Å; L411-I421 HydrophobicContact CB-CD1 3.8Å; L411-I421 HydrophobicContact CB-CG1 3.76Å; L411-I421 HydrophobicContact CD1-CD1 4.11Å |
| 412 | I | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.9 | -35.2 | 175.5 | -74.6 | 171.7 | 0 | 0 | 0 | 111.9 | T408 Q410 I421 V440 L447 A453 V456 | T408-I412 HydrophobicContact CG2-CD1 3.64Å; T408-I412 HydrophobicContact CG2-CG1 4.19Å; T408-I412 WeakPolarHBondContact O-CG1 3.35Å; T408-I412 PolarHBondContact O-N 2.78Å; Q410-I412 PolarHBondContact O-N 3.49Å; I412-I421 HydrophobicContact CG1-CG1 4.26Å; I412-I421 HydrophobicContact CG1-CG2 4.02Å; I412-V440 HydrophobicContact CD1-CG2 3.88Å; I412-L447 HydrophobicContact CG2-CD1 4.37Å; I412-L447 HydrophobicContact CG2-CD2 4.15Å; I412-A453 HydrophobicContact CG2-CB 3.5Å; I412-A453 VanDerWaalsContact CG2-CB 3.5Å; I412-A453 WeakPolarHBondContact O-CA 3.49Å; I412-A453 WeakPolarHBondContact O-CB 3.26Å; I412-V456 HydrophobicContact CG1-CG1 4.15Å; I412-V456 HydrophobicContact CG2-CB 4.22Å; I412-V456 HydrophobicContact CG2-CG1 4.34Å; I412-V456 HydrophobicContact CG2-CG2 4.23Å |
| 413 | Q | 98.8 | Very high | 98.7 | Very high | 88 Ų | 88 | 42.8 Ų | 42.8 | 41% | 0.411 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -98.7 | -12 | -174.8 | -62.4 | 176.7 | 63.5 | 0 | 0 | 113 | E409 Q410 L411 L447 H450 F452 A453 | E409-Q413 PolarHBondContact O-NE2 3.09Å; Q410-Q413 PolarHBondContact O-N 3.11Å; L411-Q413 PolarHBondContact O-N 2.97Å; L411-Q413 VanDerWaalsContact O-N 3.17Å; Q413-L447 HydrophobicContact CG-CD2 4Å; Q413-H450 PolarHBondContact O-CE1 2.74Å; Q413-H450 VanDerWaalsContact O-CE1 3.25Å; Q413-F452 WeakPolarHBondContact O-CD2 3.45Å; Q413-A453 HydrophobicContact CG-CB 4.15Å |
| 414 | D | 98.9 | Very high | 98.7 | Very high | 35 Ų | 35 | 41.8 Ų | 41.8 | 19% | 0.187 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -72 | 147.8 | 179 | -178.7 | -105.3 | 0 | 0 | 0 | 112.2 | T377 Q410 L411 Y416 G417 N418 | T377-D414 WeakPolarHBondContact CA-OD1 3.4Å; T377-D414 HydrophobicContact CG2-CB 3.99Å; Q410-D414 PolarHBondContact O-N 2.93Å; Q410-D414 VanDerWaalsContact O-N 3.09Å; L411-D414 PolarHBondContact O-N 2.74Å; D414-Y416 VanDerWaalsContact C-N 3.25Å; D414-Y416 PolarHBondContact O-N 2.84Å; D414-Y416 WeakPolarHBondContact OD1-CA 3.3Å; D414-Y416 PolarHBondContact OD1-N 3.38Å; D414-G417 PolarHBondContact OD1-N 3.16Å; D414-N418 WeakPolarHBondContact O-CB 3.12Å; D414-N418 PolarHBondContact O-N 2.97Å; D414-N418 PolarHBondContact O-ND2 3.44Å |
| 415 | Q | 98.7 | Very high | 98.7 | Very high | 97 Ų | 97 | 41.6 Ų | 41.6 | 45% | 0.453 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -23.4 | -178.1 | 71.8 | -173.4 | -54.9 | 0 | 0 | 114.1 | N418 Y419 F452 | Q415-N418 PolarHBondContact O-ND2 3.35Å; Q415-Y419 WeakPolarHBondContact O-CE2 3.4Å; Q415-F452 HydrophobicContact CB-CD1 4.48Å; Q415-F452 HydrophobicContact CB-CD2 4.2Å; Q415-F452 HydrophobicContact CB-CE1 3.94Å; Q415-F452 HydrophobicContact CB-CE2 3.63Å; Q415-F452 HydrophobicContact CB-CZ 3.48Å; Q415-F452 VanDerWaalsContact CB-CZ 3.48Å |
| 416 | Y | 98.8 | Very high | 98.7 | Very high | 71 Ų | 71 | 43.2 Ų | 43.2 | 28% | 0.278 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -42.4 | 176.5 | -56.9 | -63.4 | 0 | 0 | 0 | 111.7 | S376 T377 P379 D414 N418 Y419 | S376-Y416 CarbonylContact O-C 3.6Å; T377-Y416 WeakPolarHBondContact O-CD2 3.45Å; P379-Y416 HydrophobicContact CB-CD1 4.46Å; P379-Y416 HydrophobicContact CB-CE1 3.86Å; P379-Y416 HydrophobicContact CB-CE2 4.01Å; P379-Y416 HydrophobicContact CG-CE2 4.36Å; D414-Y416 VanDerWaalsContact C-N 3.25Å; D414-Y416 PolarHBondContact O-N 2.84Å; D414-Y416 WeakPolarHBondContact OD1-CA 3.3Å; D414-Y416 PolarHBondContact OD1-N 3.38Å; Y416-N418 PolarHBondContact O-N 2.73Å; Y416-Y419 WeakPolarHBondContact O-CB 3.36Å; Y416-Y419 WeakPolarHBondContact O-CD2 3.34Å; Y416-Y419 PolarHBondContact O-N 3.37Å |
| 417 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.5 | -32.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S376 L411 D414 Y419 V420 I421 | S376-G417 WeakPolarHBondContact O-CA 3.31Å; S376-G417 PolarHBondContact O-N 3.01Å; L411-G417 CarbonylContact O-C 3.09Å; D414-G417 PolarHBondContact OD1-N 3.16Å; G417-Y419 PolarHBondContact O-N 2.93Å; G417-Y419 VanDerWaalsContact O-N 3.11Å; G417-V420 WeakPolarHBondContact O-CB 3.42Å; G417-V420 PolarHBondContact O-N 3.17Å; G417-I421 PolarHBondContact O-N 3.28Å; G417-I421 VanDerWaalsContact O-N 3.09Å |
| 418 | N | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58 | -29.8 | 176.8 | 76.3 | 95.4 | 0 | 0 | 0 | 112.3 | L411 D414 Q415 Y416 Q422 F452 V456 | L411-N418 WeakPolarHBondContact O-CA 3.3Å; L411-N418 PolarHBondContact O-N 3.38Å; D414-N418 WeakPolarHBondContact O-CB 3.12Å; D414-N418 PolarHBondContact O-N 2.97Å; D414-N418 PolarHBondContact O-ND2 3.44Å; Q415-N418 PolarHBondContact O-ND2 3.35Å; Y416-N418 PolarHBondContact O-N 2.73Å; N418-Q422 WeakPolarHBondContact O-CB 3.41Å; N418-Q422 WeakPolarHBondContact O-CG 3.25Å; N418-Q422 PolarHBondContact O-N 2.99Å; N418-Q422 PolarHBondContact O-NE2 3.37Å; N418-Q422 PolarHBondContact OD1-NE2 2.79Å; N418-F452 HydrophobicContact CB-CB 4.2Å; N418-V456 HydrophobicContact CB-CG2 3.96Å |
| 419 | Y | 98.9 | Very high | 98.6 | Very high | 123 Ų | 123 | 45.9 Ų | 45.9 | 48% | 0.482 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -73.1 | -35.6 | 176.4 | -65.6 | -72.8 | 0 | 0 | 0 | 112.1 | Q415 Y416 G417 Q422 H423 | Q415-Y419 WeakPolarHBondContact O-CE2 3.4Å; Y416-Y419 WeakPolarHBondContact O-CB 3.36Å; Y416-Y419 WeakPolarHBondContact O-CD2 3.34Å; Y416-Y419 PolarHBondContact O-N 3.37Å; G417-Y419 PolarHBondContact O-N 2.93Å; G417-Y419 VanDerWaalsContact O-N 3.11Å; Y419-Q422 PolarHBondContact O-N 2.94Å; Y419-H423 WeakPolarHBondContact O-CB 3.49Å; Y419-H423 PolarHBondContact O-N 2.88Å |
| 420 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | 174.7 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | C382 I385 L389 L404 G417 H423 V424 | C382-V420 HydrophobicContact CB-CG2 3.87Å; I385-V420 HydrophobicContact CG2-CG1 3.61Å; I385-V420 HydrophobicContact CG2-CG2 4.34Å; L389-V420 HydrophobicContact CD1-CG1 4.35Å; L404-V420 HydrophobicContact CD1-CG1 3.88Å; L404-V420 HydrophobicContact CD2-CG1 3.81Å; G417-V420 WeakPolarHBondContact O-CB 3.42Å; G417-V420 PolarHBondContact O-N 3.17Å; V420-H423 WeakPolarHBondContact O-CB 3.45Å; V420-H423 PolarHBondContact O-N 3.24Å; V420-V424 PolarHBondContact O-N 3.06Å; V420-V424 VanDerWaalsContact O-N 3.14Å |
| 421 | I | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 176.5 | -57.9 | -57.7 | 0 | 0 | 0 | 111.5 | L411 I412 G417 H423 V424 L425 L436 V456 | L411-I421 HydrophobicContact CB-CD1 3.8Å; L411-I421 HydrophobicContact CB-CG1 3.76Å; L411-I421 HydrophobicContact CD1-CD1 4.11Å; I412-I421 HydrophobicContact CG1-CG1 4.26Å; I412-I421 HydrophobicContact CG1-CG2 4.02Å; G417-I421 PolarHBondContact O-N 3.28Å; G417-I421 VanDerWaalsContact O-N 3.09Å; I421-H423 VanDerWaalsContact C-N 3.28Å; I421-H423 PolarHBondContact O-N 2.77Å; I421-V424 PolarHBondContact O-N 2.95Å; I421-L425 HydrophobicContact CG2-CD1 4.2Å; I421-L425 WeakPolarHBondContact O-CG 3.43Å; I421-L425 PolarHBondContact O-N 3.05Å; I421-L436 HydrophobicContact CD1-CD2 3.99Å; I421-L436 HydrophobicContact CG2-CD1 4.05Å; I421-L436 HydrophobicContact CG2-CD2 4.25Å; I421-V456 HydrophobicContact CG2-CG1 3.72Å; I421-V456 HydrophobicContact CG2-CG2 4.5Å |
| 422 | Q | 98.9 | Very high | 98.6 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 9% | 0.093 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.8 | -39.6 | 175.5 | -72.9 | 173.3 | 82.9 | 0 | 0 | 111.8 | N418 Y419 V424 L425 E426 V456 K459 | N418-Q422 WeakPolarHBondContact O-CB 3.41Å; N418-Q422 WeakPolarHBondContact O-CG 3.25Å; N418-Q422 PolarHBondContact O-N 2.99Å; N418-Q422 PolarHBondContact O-NE2 3.37Å; N418-Q422 PolarHBondContact OD1-NE2 2.79Å; Y419-Q422 PolarHBondContact O-N 2.94Å; Q422-V424 PolarHBondContact O-N 3.13Å; Q422-L425 WeakPolarHBondContact O-CB 3.43Å; Q422-L425 PolarHBondContact O-N 3.21Å; Q422-L425 VanDerWaalsContact O-N 3.15Å; Q422-E426 WeakPolarHBondContact O-CG 3.43Å; Q422-E426 PolarHBondContact O-N 3.06Å; Q422-V456 HydrophobicContact CG-CG2 4.13Å; Q422-K459 HydrophobicContact CB-CG 4.02Å; Q422-K459 HydrophobicContact CG-CB 4.39Å; Q422-K459 HydrophobicContact CG-CG 3.63Å |
| 423 | H | 98.9 | Very high | 98.5 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 5% | 0.051 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.5 | -45.9 | 177.4 | -175.3 | 83.9 | 0 | 0 | 0 | 111.7 | Q386 E390 Y419 V420 I421 L425 E426 H427 | Q386-H423 HydrophobicContact CG-CB 4.03Å; E390-H423 WeakPolarHBondContact CG-CE1 3.42Å; E390-H423 WeakPolarHBondContact CG-NE2 3.25Å; E390-H423 IonicContact OE1-CE1 2.65Å; E390-H423 PolarHBondContact OE1-CE1 3.47Å; E390-H423 IonicContact OE1-ND1 2.65Å; E390-H423 PolarHBondContact OE1-ND1 3.2Å; E390-H423 IonicContact OE1-NE2 2.82Å; Y419-H423 WeakPolarHBondContact O-CB 3.49Å; Y419-H423 PolarHBondContact O-N 2.88Å; V420-H423 WeakPolarHBondContact O-CB 3.45Å; V420-H423 PolarHBondContact O-N 3.24Å; I421-H423 VanDerWaalsContact C-N 3.28Å; I421-H423 PolarHBondContact O-N 2.77Å; H423-L425 VanDerWaalsContact C-N 3.34Å; H423-L425 PolarHBondContact O-N 2.94Å; H423-E426 PolarHBondContact O-N 2.91Å; H423-H427 AromaticContact CE1-CD2 3.45Å; H423-H427 PolarHBondContact CE1-CD2 3.46Å; H423-H427 VanDerWaalsContact CE1-CD2 3.45Å; H423-H427 AromaticContact ND1-CD2 3.6Å; H423-H427 PolarHBondContact O-N 3.48Å |
| 424 | V | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -38.8 | 175 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | L389 L401 V420 I421 Q422 E426 G428 D432 L436 | L389-V424 HydrophobicContact CD1-CG2 3.87Å; L401-V424 HydrophobicContact CD2-CG1 4.2Å; L401-V424 HydrophobicContact CD2-CG2 3.95Å; V420-V424 PolarHBondContact O-N 3.06Å; V420-V424 VanDerWaalsContact O-N 3.14Å; I421-V424 PolarHBondContact O-N 2.95Å; Q422-V424 PolarHBondContact O-N 3.13Å; V424-E426 VanDerWaalsContact C-N 3.32Å; V424-E426 PolarHBondContact O-N 3.06Å; V424-G428 VanDerWaalsContact O-CA 3.25Å; V424-G428 WeakPolarHBondContact O-CA 3.29Å; V424-G428 PolarHBondContact O-N 3.39Å; V424-D432 HydrophobicContact CG1-CB 3.75Å; V424-L436 HydrophobicContact CB-CD1 3.71Å; V424-L436 HydrophobicContact CG1-CD1 3.55Å |
| 425 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.9 | -35.7 | 175.9 | -71.5 | 167.3 | 0 | 0 | 0 | 112.9 | I421 Q422 H423 K433 L436 I437 V456 K459 H463 | I421-L425 HydrophobicContact CG2-CD1 4.2Å; I421-L425 WeakPolarHBondContact O-CG 3.43Å; I421-L425 PolarHBondContact O-N 3.05Å; Q422-L425 WeakPolarHBondContact O-CB 3.43Å; Q422-L425 PolarHBondContact O-N 3.21Å; Q422-L425 VanDerWaalsContact O-N 3.15Å; H423-L425 VanDerWaalsContact C-N 3.34Å; H423-L425 PolarHBondContact O-N 2.94Å; L425-K433 HydrophobicContact CD2-CB 4.37Å; L425-K433 VanDerWaalsContact O-CD 3.32Å; L425-K433 WeakPolarHBondContact O-CD 3.24Å; L425-K433 WeakPolarHBondContact O-CE 3.43Å; L425-K433 PolarHBondContact O-NZ 2.98Å; L425-L436 HydrophobicContact CD2-CB 4.15Å; L425-L436 HydrophobicContact CD2-CD1 4.23Å; L425-L436 HydrophobicContact CG-CD1 4.08Å; L425-I437 HydrophobicContact CD2-CG1 4.28Å; L425-V456 HydrophobicContact CD1-CG1 3.81Å; L425-K459 HydrophobicContact CB-CB 4.08Å; L425-K459 HydrophobicContact CD1-CB 3.71Å; L425-H463 WeakPolarHBondContact O-CB 3.35Å |
| 426 | E | 98.6 | Very high | 98.5 | Very high | 65 Ų | 65 | 42.3 Ų | 42.3 | 30% | 0.304 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -78.7 | -47.9 | -179.9 | -71.9 | 179.1 | 144.9 | 0 | 0 | 111.6 | Q422 H423 V424 K433 K459 | Q422-E426 WeakPolarHBondContact O-CG 3.43Å; Q422-E426 PolarHBondContact O-N 3.06Å; H423-E426 PolarHBondContact O-N 2.91Å; V424-E426 VanDerWaalsContact C-N 3.32Å; V424-E426 PolarHBondContact O-N 3.06Å; E426-K433 PolarHBondContact O-NZ 3.16Å; E426-K433 VanDerWaalsContact O-NZ 3.16Å; E426-K459 HydrophobicContact CG-CD 4.21Å; E426-K459 WeakPolarHBondContact OE1-CD 3.32Å; E426-K459 WeakPolarHBondContact OE1-CE 3.28Å; E426-K459 IonicContact OE1-NZ 2.88Å; E426-K459 PolarHBondContact OE1-NZ 3.41Å |
| 427 | H | 97.4 | Very high | 98.5 | Very high | 133 Ų | 133 | 39 Ų | 39 | 62% | 0.616 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -116.7 | -15.8 | -165 | -55.5 | -64.5 | 0 | 0 | 0 | 115.2 | H423 | H423-H427 AromaticContact CE1-CD2 3.45Å; H423-H427 PolarHBondContact CE1-CD2 3.46Å; H423-H427 VanDerWaalsContact CE1-CD2 3.45Å; H423-H427 AromaticContact ND1-CD2 3.6Å; H423-H427 PolarHBondContact O-N 3.48Å |
| 428 | G | 97 | Very high | 98.5 | Very high | 26 Ų | 26 | 43.7 Ų | 43.7 | 27% | 0.268 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -72.5 | 175.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V424 K433 | V424-G428 VanDerWaalsContact O-CA 3.25Å; V424-G428 WeakPolarHBondContact O-CA 3.29Å; V424-G428 PolarHBondContact O-N 3.39Å; G428-K433 WeakPolarHBondContact O-CE 3.27Å |
| 429 | K | 97.7 | Very high | 98.5 | Very high | 94 Ų | 94 | 44.9 Ų | 44.9 | 41% | 0.409 | 22% | 0.222 | S | C | . | . | trans | -69.1 | 153.1 | 175.5 | -62.3 | 174.5 | -72.6 | 167.7 | 0 | 110.4 | E431 D432 K433 | K429-E431 HydrophobicContact CB-CG 3.96Å; K429-E431 WeakPolarHBondContact CD-OE1 3.12Å; K429-E431 WeakPolarHBondContact CE-OE1 3.45Å; K429-E431 IonicContact NZ-OE1 2.64Å; K429-E431 PolarHBondContact NZ-OE1 2.84Å; K429-E431 PolarHBondContact O-N 3.32Å; K429-D432 WeakPolarHBondContact CE-OD2 3.47Å; K429-D432 PolarHBondContact O-N 3.01Å; K429-D432 VanDerWaalsContact O-N 3.17Å; K429-K433 WeakPolarHBondContact O-CG 3.39Å; K429-K433 PolarHBondContact O-N 3.38Å | ||
| 430 | Q | 98.4 | Very high | 98.5 | Very high | 86 Ų | 86 | 39 Ų | 39 | 40% | 0.402 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.2 | -34.4 | -178.4 | -175.3 | 55.5 | 51.7 | 0 | 0 | 112.9 | K433 S434 T465 | Q430-K433 PolarHBondContact O-N 3.47Å; Q430-S434 PolarHBondContact O-N 3.01Å; Q430-S434 PolarHBondContact O-OG 3.38Å; Q430-T465 HydrophobicContact CG-CG2 4.35Å; Q430-T465 VanDerWaalsContact NE2-CG2 3.34Å |
| 431 | E | 98.4 | Very high | 98.4 | Very high | 114 Ų | 114 | 46.8 Ų | 46.8 | 53% | 0.533 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 176.3 | 63.7 | -166.1 | 177.7 | 0 | 0 | 112.6 | K429 K433 S434 I435 | K429-E431 HydrophobicContact CB-CG 3.96Å; K429-E431 WeakPolarHBondContact CD-OE1 3.12Å; K429-E431 WeakPolarHBondContact CE-OE1 3.45Å; K429-E431 IonicContact NZ-OE1 2.64Å; K429-E431 PolarHBondContact NZ-OE1 2.84Å; K429-E431 PolarHBondContact O-N 3.32Å; E431-K433 VanDerWaalsContact C-N 3.35Å; E431-K433 PolarHBondContact O-N 3.47Å; E431-S434 WeakPolarHBondContact O-CB 3.44Å; E431-S434 PolarHBondContact O-N 3.19Å; E431-I435 WeakPolarHBondContact O-CG1 3.47Å; E431-I435 PolarHBondContact O-N 2.84Å; E431-I435 VanDerWaalsContact O-N 3.07Å |
| 432 | D | 98.6 | Very high | 98.3 | Very high | 9 Ų | 9 | 49.6 Ų | 49.6 | 5% | 0.048 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 177.4 | -61.6 | -57.4 | 0 | 0 | 0 | 110.9 | H405 V424 K429 S434 I435 L436 | H405-D432 IonicContact CD2-OD1 2.99Å; H405-D432 IonicContact CE1-OD1 2.7Å; H405-D432 IonicContact NE2-OD1 3.7Å; H405-D432 PolarHBondContact NE2-OD1 2.88Å; V424-D432 HydrophobicContact CG1-CB 3.75Å; K429-D432 WeakPolarHBondContact CE-OD2 3.47Å; K429-D432 PolarHBondContact O-N 3.01Å; K429-D432 VanDerWaalsContact O-N 3.17Å; D432-S434 VanDerWaalsContact C-N 3.29Å; D432-S434 PolarHBondContact O-N 3.03Å; D432-I435 PolarHBondContact O-N 3.48Å; D432-L436 WeakPolarHBondContact O-CG 3.49Å; D432-L436 PolarHBondContact O-N 3.43Å |
| 433 | K | 98.8 | Very high | 98.2 | Very high | 23 Ų | 23 | 52.1 Ų | 52.1 | 10% | 0.1 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 175.5 | -59.7 | -174.6 | -167.2 | -157.1 | 0 | 111 | L425 E426 G428 K429 Q430 E431 L436 I437 | L425-K433 HydrophobicContact CD2-CB 4.37Å; L425-K433 VanDerWaalsContact O-CD 3.32Å; L425-K433 WeakPolarHBondContact O-CD 3.24Å; L425-K433 WeakPolarHBondContact O-CE 3.43Å; L425-K433 PolarHBondContact O-NZ 2.98Å; E426-K433 PolarHBondContact O-NZ 3.16Å; E426-K433 VanDerWaalsContact O-NZ 3.16Å; G428-K433 WeakPolarHBondContact O-CE 3.27Å; K429-K433 WeakPolarHBondContact O-CG 3.39Å; K429-K433 PolarHBondContact O-N 3.38Å; Q430-K433 PolarHBondContact O-N 3.47Å; E431-K433 VanDerWaalsContact C-N 3.35Å; E431-K433 PolarHBondContact O-N 3.47Å; K433-L436 PolarHBondContact O-N 3.18Å; K433-I437 HydrophobicContact CB-CD1 4.45Å; K433-I437 WeakPolarHBondContact O-CB 3.48Å; K433-I437 WeakPolarHBondContact O-CD1 3.36Å; K433-I437 WeakPolarHBondContact O-CG1 3.13Å; K433-I437 PolarHBondContact O-N 3.3Å |
| 434 | S | 98.7 | Very high | 98.2 | Very high | 30 Ų | 30 | 51.6 Ų | 51.6 | 21% | 0.21 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 178.9 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | Q430 E431 D432 I437 N438 E468 | Q430-S434 PolarHBondContact O-N 3.01Å; Q430-S434 PolarHBondContact O-OG 3.38Å; E431-S434 WeakPolarHBondContact O-CB 3.44Å; E431-S434 PolarHBondContact O-N 3.19Å; D432-S434 VanDerWaalsContact C-N 3.29Å; D432-S434 PolarHBondContact O-N 3.03Å; S434-I437 PolarHBondContact O-N 3.39Å; S434-N438 WeakPolarHBondContact O-CB 3.49Å; S434-N438 PolarHBondContact O-N 3.32Å; S434-N438 PolarHBondContact O-ND2 3.42Å; S434-N438 VanDerWaalsContact O-ND2 3.13Å; S434-E468 WeakPolarHBondContact CA-OE1 3.33Å; S434-E468 WeakPolarHBondContact CB-OE1 2.98Å; S434-E468 PolarHBondContact OG-OE1 3.13Å |
| 435 | I | 98.6 | Very high | 98.1 | Very high | 73 Ų | 73 | 53 Ų | 53 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.4 | -48 | 173.8 | -65 | 166 | 0 | 0 | 0 | 110.9 | H405 E431 D432 I437 N438 S439 | H405-I435 HydrophobicContact CB-CG2 4.27Å; H405-I435 WeakPolarHBondContact ND1-CG2 3.45Å; E431-I435 WeakPolarHBondContact O-CG1 3.47Å; E431-I435 PolarHBondContact O-N 2.84Å; E431-I435 VanDerWaalsContact O-N 3.07Å; D432-I435 PolarHBondContact O-N 3.48Å; I435-I437 PolarHBondContact O-N 3.25Å; I435-N438 PolarHBondContact O-N 2.84Å; I435-S439 PolarHBondContact O-N 3.48Å; I435-S439 PolarHBondContact O-OG 3.44Å |
| 436 | L | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 179 | -63.4 | 176.9 | 0 | 0 | 0 | 112.1 | T408 I421 V424 L425 D432 K433 N438 S439 V440 | T408-L436 HydrophobicContact CG2-CD2 3.54Å; I421-L436 HydrophobicContact CD1-CD2 3.99Å; I421-L436 HydrophobicContact CG2-CD1 4.05Å; I421-L436 HydrophobicContact CG2-CD2 4.25Å; V424-L436 HydrophobicContact CB-CD1 3.71Å; V424-L436 HydrophobicContact CG1-CD1 3.55Å; L425-L436 HydrophobicContact CD2-CB 4.15Å; L425-L436 HydrophobicContact CD2-CD1 4.23Å; L425-L436 HydrophobicContact CG-CD1 4.08Å; D432-L436 WeakPolarHBondContact O-CG 3.49Å; D432-L436 PolarHBondContact O-N 3.43Å; K433-L436 PolarHBondContact O-N 3.18Å; L436-N438 VanDerWaalsContact C-N 3.33Å; L436-N438 PolarHBondContact O-N 3.02Å; L436-S439 WeakPolarHBondContact O-CB 3.42Å; L436-S439 PolarHBondContact O-N 2.89Å; L436-S439 VanDerWaalsContact O-N 3.17Å; L436-V440 PolarHBondContact O-N 3.04Å |
| 437 | I | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 177.6 | -72.6 | 161.3 | 0 | 0 | 0 | 111.1 | L425 K433 S434 I435 S439 V440 R441 C460 A464 E468 L472 | L425-I437 HydrophobicContact CD2-CG1 4.28Å; K433-I437 HydrophobicContact CB-CD1 4.45Å; K433-I437 WeakPolarHBondContact O-CB 3.48Å; K433-I437 WeakPolarHBondContact O-CD1 3.36Å; K433-I437 WeakPolarHBondContact O-CG1 3.13Å; K433-I437 PolarHBondContact O-N 3.3Å; S434-I437 PolarHBondContact O-N 3.39Å; I435-I437 PolarHBondContact O-N 3.25Å; I437-S439 PolarHBondContact O-N 3.4Å; I437-V440 PolarHBondContact O-N 2.92Å; I437-R441 PolarHBondContact O-N 3.42Å; I437-C460 HydrophobicContact CG1-CB 4.18Å; I437-A464 HydrophobicContact CD1-CB 3.65Å; I437-E468 HydrophobicContact CD1-CB 4.45Å; I437-E468 HydrophobicContact CG2-CB 4.15Å; I437-E468 HydrophobicContact CG2-CG 4.23Å; I437-L472 HydrophobicContact CG2-CD1 4.09Å; I437-L472 HydrophobicContact CG2-CD2 4.42Å; I437-L472 HydrophobicContact CG2-CG 4.43Å |
| 438 | N | 98.4 | Very high | 98.1 | Very high | 98 Ų | 98 | 48.9 Ų | 48.9 | 52% | 0.524 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62 | -31.9 | 176.4 | -74.4 | -30.4 | 0 | 0 | 0 | 112.4 | S434 I435 L436 V440 R441 | S434-N438 WeakPolarHBondContact O-CB 3.49Å; S434-N438 PolarHBondContact O-N 3.32Å; S434-N438 PolarHBondContact O-ND2 3.42Å; S434-N438 VanDerWaalsContact O-ND2 3.13Å; I435-N438 PolarHBondContact O-N 2.84Å; L436-N438 VanDerWaalsContact C-N 3.33Å; L436-N438 PolarHBondContact O-N 3.02Å; N438-V440 VanDerWaalsContact C-N 3.28Å; N438-V440 PolarHBondContact O-N 2.8Å; N438-R441 PolarHBondContact O-N 2.9Å |
| 439 | S | 98.3 | Very high | 98.2 | Very high | 25 Ų | 25 | 51 Ų | 51 | 18% | 0.175 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.4 | -22 | 174.6 | -61.2 | 0 | 0 | 0 | 0 | 113.6 | T408 I435 L436 I437 | T408-S439 WeakPolarHBondContact CG2-OG 3.48Å; I435-S439 PolarHBondContact O-N 3.48Å; I435-S439 PolarHBondContact O-OG 3.44Å; L436-S439 WeakPolarHBondContact O-CB 3.42Å; L436-S439 PolarHBondContact O-N 2.89Å; L436-S439 VanDerWaalsContact O-N 3.17Å; I437-S439 PolarHBondContact O-N 3.4Å |
| 440 | V | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -88.3 | -30.2 | 176.4 | 174.5 | 0 | 0 | 0 | 0 | 112.1 | I412 L436 I437 N438 K443 V444 L447 V457 L472 | I412-V440 HydrophobicContact CD1-CG2 3.88Å; L436-V440 PolarHBondContact O-N 3.04Å; I437-V440 PolarHBondContact O-N 2.92Å; N438-V440 VanDerWaalsContact C-N 3.28Å; N438-V440 PolarHBondContact O-N 2.8Å; V440-K443 CarbonylContact O-C 3.56Å; V440-K443 WeakPolarHBondContact O-CA 3.45Å; V440-K443 WeakPolarHBondContact O-CB 3.5Å; V440-K443 PolarHBondContact O-N 2.76Å; V440-V444 HydrophobicContact CG1-CG2 4.23Å; V440-V444 PolarHBondContact O-N 3.39Å; V440-L447 HydrophobicContact CB-CD1 4.33Å; V440-L447 HydrophobicContact CG1-CD1 4.14Å; V440-L447 HydrophobicContact CG2-CD1 4.16Å; V440-V457 HydrophobicContact CG1-CG2 4.11Å; V440-L472 HydrophobicContact CG1-CD2 4.3Å |
| 441 | R | 97.3 | Very high | 98.3 | Very high | 162 Ų | 162 | 50.8 Ų | 50.8 | 61% | 0.611 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 137.9 | 179.7 | -170.5 | 177.2 | -178.8 | 179.1 | -1.2 | 111.3 | I437 N438 K443 L472 | I437-R441 PolarHBondContact O-N 3.42Å; N438-R441 PolarHBondContact O-N 2.9Å; R441-K443 PolarHBondContact O-N 3.44Å; R441-L472 HydrophobicContact CB-CD2 4.45Å |
| 442 | G | 96.1 | Very high | 98.3 | Very high | 62 Ų | 62 | 47.9 Ų | 47.9 | 64% | 0.639 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78 | -6.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E475 | G442-E475 VanDerWaalsContact CA-OE1 3.23Å; G442-E475 WeakPolarHBondContact CA-OE1 3.35Å; G442-E475 WeakPolarHBondContact CA-OE2 3.25Å; G442-E475 VanDerWaalsContact N-CD 3.27Å; G442-E475 PolarHBondContact N-OE1 2.86Å; G442-E475 PolarHBondContact N-OE2 3.22Å |
| 443 | K | 97.6 | Very high | 98.3 | Very high | 72 Ų | 72 | 47.5 Ų | 47.5 | 31% | 0.313 | 25% | 0.247 | S | C | . | . | trans | -123.5 | 9.4 | -175.5 | -53.6 | 177.3 | -167.3 | 169.6 | 0 | 112.4 | E409 V440 R441 L445 V446 L447 E475 | E409-K443 IonicContact OE1-NZ 3.62Å; E409-K443 PolarHBondContact OE1-NZ 3.28Å; E409-K443 IonicContact OE2-NZ 2.67Å; E409-K443 PolarHBondContact OE2-NZ 3.45Å; V440-K443 CarbonylContact O-C 3.56Å; V440-K443 WeakPolarHBondContact O-CA 3.45Å; V440-K443 WeakPolarHBondContact O-CB 3.5Å; V440-K443 PolarHBondContact O-N 2.76Å; R441-K443 PolarHBondContact O-N 3.44Å; K443-L445 VanDerWaalsContact C-N 3.34Å; K443-L445 PolarHBondContact O-N 3.31Å; K443-V446 PolarHBondContact O-N 2.98Å; K443-L447 HydrophobicContact CB-CD1 3.82Å; K443-L447 HydrophobicContact CB-CG 4.05Å; K443-L447 WeakPolarHBondContact O-CG 3.42Å; K443-L447 PolarHBondContact O-N 3.3Å; K443-E475 PolarHBondContact N-OE1 2.85Å; K443-E475 VanDerWaalsContact N-OE1 3.17Å | ||
| 444 | V | 98.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.4 | -44.7 | -170.8 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | V440 V446 S448 V457 L472 E475 V476 M500 | V440-V444 HydrophobicContact CG1-CG2 4.23Å; V440-V444 PolarHBondContact O-N 3.39Å; V444-V446 PolarHBondContact O-N 2.92Å; V444-S448 WeakPolarHBondContact O-CB 3.49Å; V444-S448 PolarHBondContact O-N 3.49Å; V444-S448 PolarHBondContact O-OG 3.3Å; V444-V457 HydrophobicContact CG1-CG1 4.14Å; V444-L472 HydrophobicContact CG2-CB 4.49Å; V444-L472 HydrophobicContact CG2-CD2 3.79Å; V444-E475 WeakPolarHBondContact CB-OE1 3.33Å; V444-E475 HydrophobicContact CG2-CG 4.5Å; V444-E475 WeakPolarHBondContact CG2-OE1 3.32Å; V444-E475 PolarHBondContact N-OE1 2.76Å; V444-V476 HydrophobicContact CB-CG1 4Å; V444-V476 HydrophobicContact CG1-CG1 3.53Å; V444-M500 HydrophobicContact CG1-CE 3.81Å |
| 445 | L | 97.3 | Very high | 98.3 | Very high | 33 Ų | 33 | 48 Ų | 48 | 17% | 0.173 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 179.8 | 173.5 | 60.6 | 0 | 0 | 0 | 112.6 | K443 Q449 A483 V486 M487 | K443-L445 VanDerWaalsContact C-N 3.34Å; K443-L445 PolarHBondContact O-N 3.31Å; L445-Q449 PolarHBondContact O-NE2 3.1Å; L445-A483 HydrophobicContact CB-CB 4.46Å; L445-A483 HydrophobicContact CD1-CB 4.08Å; L445-A483 HydrophobicContact CD2-CB 3.92Å; L445-A483 HydrophobicContact CG-CB 4.38Å; L445-V486 HydrophobicContact CD1-CB 4.29Å; L445-V486 HydrophobicContact CD1-CG1 4.16Å; L445-M487 HydrophobicContact CD1-CG 3.52Å; L445-M487 HydrophobicContact CD1-SD 4.11Å |
| 446 | V | 97.9 | Very high | 98.3 | Very high | 104 Ų | 104 | 44.5 Ų | 44.5 | 63% | 0.63 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -72.7 | -48.6 | -175.8 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | K443 V444 S448 Q449 | K443-V446 PolarHBondContact O-N 2.98Å; V444-V446 PolarHBondContact O-N 2.92Å; V446-S448 VanDerWaalsContact C-N 3.28Å; V446-S448 PolarHBondContact O-N 2.85Å; V446-Q449 PolarHBondContact O-N 2.98Å; V446-Q449 VanDerWaalsContact O-N 3.14Å |
| 447 | L | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 5% | 0.047 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.1 | -32.5 | -179.3 | -65.5 | 176.3 | 0 | 0 | 0 | 112.4 | I412 Q413 V440 K443 Q449 H450 A453 S454 V457 | I412-L447 HydrophobicContact CG2-CD1 4.37Å; I412-L447 HydrophobicContact CG2-CD2 4.15Å; Q413-L447 HydrophobicContact CG-CD2 4Å; V440-L447 HydrophobicContact CB-CD1 4.33Å; V440-L447 HydrophobicContact CG1-CD1 4.14Å; V440-L447 HydrophobicContact CG2-CD1 4.16Å; K443-L447 HydrophobicContact CB-CD1 3.82Å; K443-L447 HydrophobicContact CB-CG 4.05Å; K443-L447 WeakPolarHBondContact O-CG 3.42Å; K443-L447 PolarHBondContact O-N 3.3Å; L447-Q449 PolarHBondContact O-N 3.22Å; L447-H450 WeakPolarHBondContact O-CB 3.32Å; L447-H450 PolarHBondContact O-N 3.41Å; L447-H450 VanDerWaalsContact O-N 3.13Å; L447-A453 HydrophobicContact CB-CB 4.08Å; L447-A453 HydrophobicContact CD2-CB 3.88Å; L447-A453 CarbonylContact O-C 3.11Å; L447-S454 PolarHBondContact O-N 3.07Å; L447-V457 HydrophobicContact CB-CG2 3.74Å |
| 448 | S | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -26.6 | 176.4 | -61.9 | 0 | 0 | 0 | 0 | 113.4 | V444 V446 H450 S454 M487 Y492 A493 | V444-S448 WeakPolarHBondContact O-CB 3.49Å; V444-S448 PolarHBondContact O-N 3.49Å; V444-S448 PolarHBondContact O-OG 3.3Å; V446-S448 VanDerWaalsContact C-N 3.28Å; V446-S448 PolarHBondContact O-N 2.85Å; S448-H450 VanDerWaalsContact C-N 3.3Å; S448-S454 WeakPolarHBondContact O-CB 3.47Å; S448-M487 WeakPolarHBondContact OG-CE 3.15Å; S448-Y492 CarbonylContact O-C 3.51Å; S448-A493 WeakPolarHBondContact O-CA 3.27Å; S448-A493 VanDerWaalsContact O-CB 3.29Å; S448-A493 WeakPolarHBondContact O-CB 3.42Å; S448-A493 PolarHBondContact O-N 3.39Å |
| 449 | Q | 98.6 | Very high | 98.3 | Very high | 71 Ų | 71 | 44 Ų | 44 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -1 | 177.9 | -68.1 | 172 | 82.9 | 0 | 0 | 112.7 | L445 V446 L447 D490 Y492 A493 | L445-Q449 PolarHBondContact O-NE2 3.1Å; V446-Q449 PolarHBondContact O-N 2.98Å; V446-Q449 VanDerWaalsContact O-N 3.14Å; L447-Q449 PolarHBondContact O-N 3.22Å; Q449-D490 WeakPolarHBondContact CA-OD1 3.35Å; Q449-D490 HydrophobicContact CG-CB 4.14Å; Q449-Y492 VanDerWaalsContact O-CD2 3.3Å; Q449-Y492 WeakPolarHBondContact O-CD2 3.48Å; Q449-A493 HydrophobicContact CG-CB 4.09Å |
| 450 | H | 98.8 | Very high | 98.4 | Very high | 64 Ų | 64 | 42.8 Ų | 42.8 | 30% | 0.296 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -96.5 | 133.3 | -179.5 | -171.5 | -99.2 | 0 | 0 | 0 | 110.9 | Q413 L447 S448 F452 A453 S454 | Q413-H450 PolarHBondContact O-CE1 2.74Å; Q413-H450 VanDerWaalsContact O-CE1 3.25Å; L447-H450 WeakPolarHBondContact O-CB 3.32Å; L447-H450 PolarHBondContact O-N 3.41Å; L447-H450 VanDerWaalsContact O-N 3.13Å; S448-H450 VanDerWaalsContact C-N 3.3Å; H450-F452 VanDerWaalsContact C-N 3.26Å; H450-F452 AromaticContact CE1-CD2 3.75Å; H450-F452 PolarHBondContact ND1-N 3.23Å; H450-F452 PolarHBondContact O-N 3.48Å; H450-F452 VanDerWaalsContact O-N 3.11Å; H450-A453 HydrophobicContact CB-CB 3.99Å; H450-A453 PolarHBondContact ND1-N 3.24Å; H450-A453 PolarHBondContact O-N 2.97Å; H450-S454 VanDerWaalsContact O-CB 3.25Å; H450-S454 WeakPolarHBondContact O-CB 3.36Å; H450-S454 PolarHBondContact O-N 3.13Å; H450-S454 PolarHBondContact O-OG 3.34Å |
| 451 | K | 98.6 | Very high | 98.4 | Very high | 110 Ų | 110 | 42.7 Ų | 42.7 | 48% | 0.478 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -40.4 | -174 | -178 | -177.3 | 178.5 | 74 | 0 | 114.3 | N455 Y492 | K451-N455 PolarHBondContact O-ND2 3.23Å; K451-N455 VanDerWaalsContact O-ND2 3.17Å; K451-Y492 HydrophobicContact CB-CD2 4.46Å; K451-Y492 HydrophobicContact CB-CE1 3.94Å; K451-Y492 HydrophobicContact CB-CE2 3.86Å; K451-Y492 HydrophobicContact CG-CE1 3.8Å |
| 452 | F | 98.8 | Very high | 98.4 | Very high | 54 Ų | 54 | 37.4 Ų | 37.4 | 24% | 0.237 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -44.5 | -176.2 | -55.8 | -56.9 | 0 | 0 | 0 | 111.8 | Q413 Q415 N418 H450 S454 N455 | Q413-F452 WeakPolarHBondContact O-CD2 3.45Å; Q415-F452 HydrophobicContact CB-CD1 4.48Å; Q415-F452 HydrophobicContact CB-CD2 4.2Å; Q415-F452 HydrophobicContact CB-CE1 3.94Å; Q415-F452 HydrophobicContact CB-CE2 3.63Å; Q415-F452 HydrophobicContact CB-CZ 3.48Å; Q415-F452 VanDerWaalsContact CB-CZ 3.48Å; N418-F452 HydrophobicContact CB-CB 4.2Å; H450-F452 VanDerWaalsContact C-N 3.26Å; H450-F452 AromaticContact CE1-CD2 3.75Å; H450-F452 PolarHBondContact ND1-N 3.23Å; H450-F452 PolarHBondContact O-N 3.48Å; H450-F452 VanDerWaalsContact O-N 3.11Å; F452-S454 VanDerWaalsContact C-N 3.29Å; F452-S454 PolarHBondContact O-N 3.33Å; F452-N455 PolarHBondContact O-N 2.88Å; F452-N455 PolarHBondContact O-ND2 2.78Å |
| 453 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.8 | -23.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I412 Q413 L447 H450 N455 V456 V457 | I412-A453 HydrophobicContact CG2-CB 3.5Å; I412-A453 VanDerWaalsContact CG2-CB 3.5Å; I412-A453 WeakPolarHBondContact O-CA 3.49Å; I412-A453 WeakPolarHBondContact O-CB 3.26Å; Q413-A453 HydrophobicContact CG-CB 4.15Å; L447-A453 HydrophobicContact CB-CB 4.08Å; L447-A453 HydrophobicContact CD2-CB 3.88Å; L447-A453 CarbonylContact O-C 3.11Å; H450-A453 HydrophobicContact CB-CB 3.99Å; H450-A453 PolarHBondContact ND1-N 3.24Å; H450-A453 PolarHBondContact O-N 2.97Å; A453-N455 PolarHBondContact O-N 3.31Å; A453-V456 WeakPolarHBondContact O-CA 3.33Å; A453-V456 WeakPolarHBondContact O-CB 3.47Å; A453-V456 PolarHBondContact O-N 2.98Å; A453-V457 WeakPolarHBondContact O-CG2 3.37Å; A453-V457 PolarHBondContact O-N 3.24Å |
| 454 | S | 98.9 | Very high | 98.6 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 4% | 0.035 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.1 | -38.3 | 174.1 | 64.8 | 0 | 0 | 0 | 0 | 111.8 | L447 S448 H450 F452 V456 V457 E458 | L447-S454 PolarHBondContact O-N 3.07Å; S448-S454 WeakPolarHBondContact O-CB 3.47Å; H450-S454 VanDerWaalsContact O-CB 3.25Å; H450-S454 WeakPolarHBondContact O-CB 3.36Å; H450-S454 PolarHBondContact O-N 3.13Å; H450-S454 PolarHBondContact O-OG 3.34Å; F452-S454 VanDerWaalsContact C-N 3.29Å; F452-S454 PolarHBondContact O-N 3.33Å; S454-V456 VanDerWaalsContact C-N 3.34Å; S454-V457 PolarHBondContact O-N 3.04Å; S454-E458 WeakPolarHBondContact O-CG 3.24Å; S454-E458 PolarHBondContact O-N 3.47Å |
| 455 | N | 98.9 | Very high | 98.6 | Very high | 59 Ų | 59 | 36.9 Ų | 36.9 | 32% | 0.316 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.1 | -38.6 | 176.5 | -52 | -74.3 | 0 | 0 | 0 | 111.3 | K451 F452 A453 E458 K459 | K451-N455 PolarHBondContact O-ND2 3.23Å; K451-N455 VanDerWaalsContact O-ND2 3.17Å; F452-N455 PolarHBondContact O-N 2.88Å; F452-N455 PolarHBondContact O-ND2 2.78Å; A453-N455 PolarHBondContact O-N 3.31Å; N455-E458 WeakPolarHBondContact O-CB 3.34Å; N455-E458 PolarHBondContact O-N 3.47Å; N455-K459 PolarHBondContact O-N 3.37Å |
| 456 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 174.3 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | I412 N418 I421 Q422 L425 A453 S454 E458 K459 C460 | I412-V456 HydrophobicContact CG1-CG1 4.15Å; I412-V456 HydrophobicContact CG2-CB 4.22Å; I412-V456 HydrophobicContact CG2-CG1 4.34Å; I412-V456 HydrophobicContact CG2-CG2 4.23Å; N418-V456 HydrophobicContact CB-CG2 3.96Å; I421-V456 HydrophobicContact CG2-CG1 3.72Å; I421-V456 HydrophobicContact CG2-CG2 4.5Å; Q422-V456 HydrophobicContact CG-CG2 4.13Å; L425-V456 HydrophobicContact CD1-CG1 3.81Å; A453-V456 WeakPolarHBondContact O-CA 3.33Å; A453-V456 WeakPolarHBondContact O-CB 3.47Å; A453-V456 PolarHBondContact O-N 2.98Å; S454-V456 VanDerWaalsContact C-N 3.34Å; V456-E458 VanDerWaalsContact C-N 3.29Å; V456-E458 PolarHBondContact O-N 2.74Å; V456-K459 CarbonylContact O-C 3.58Å; V456-K459 PolarHBondContact O-N 3.44Å; V456-K459 VanDerWaalsContact O-N 3.08Å; V456-C460 PolarHBondContact O-N 3.4Å; V456-C460 PolarHBondContact O-SG 3.17Å; V456-C460 VanDerWaalsContact O-SG 3.38Å |
| 457 | V | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.2 | -40.9 | 176.3 | -178.1 | 0 | 0 | 0 | 0 | 111 | V440 V444 L447 A453 S454 K459 C460 V461 V496 | V440-V457 HydrophobicContact CG1-CG2 4.11Å; V444-V457 HydrophobicContact CG1-CG1 4.14Å; L447-V457 HydrophobicContact CB-CG2 3.74Å; A453-V457 WeakPolarHBondContact O-CG2 3.37Å; A453-V457 PolarHBondContact O-N 3.24Å; S454-V457 PolarHBondContact O-N 3.04Å; V457-K459 VanDerWaalsContact C-N 3.35Å; V457-K459 PolarHBondContact O-N 2.95Å; V457-C460 PolarHBondContact O-N 2.85Å; V457-V461 PolarHBondContact O-N 3.37Å; V457-V496 HydrophobicContact CB-CG1 4.31Å; V457-V496 HydrophobicContact CB-CG2 4.35Å; V457-V496 HydrophobicContact CG1-CG1 3.57Å; V457-V496 HydrophobicContact CG1-CG2 4.45Å |
| 458 | E | 98.9 | Very high | 98.6 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 17% | 0.173 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59 | -42.9 | 173 | -72.3 | -170.1 | -119.7 | 0 | 0 | 112.4 | S454 N455 V456 V461 T462 Y495 V496 K499 | S454-E458 WeakPolarHBondContact O-CG 3.24Å; S454-E458 PolarHBondContact O-N 3.47Å; N455-E458 WeakPolarHBondContact O-CB 3.34Å; N455-E458 PolarHBondContact O-N 3.47Å; V456-E458 VanDerWaalsContact C-N 3.29Å; V456-E458 PolarHBondContact O-N 2.74Å; E458-V461 VanDerWaalsContact O-CG2 3.29Å; E458-V461 WeakPolarHBondContact O-CG2 3.27Å; E458-T462 WeakPolarHBondContact O-CB 3.47Å; E458-T462 PolarHBondContact O-N 3.19Å; E458-T462 VanDerWaalsContact O-N 3.11Å; E458-T462 PolarHBondContact O-OG1 2.86Å; E458-Y495 WeakPolarHBondContact OE1-CB 3.39Å; E458-V496 HydrophobicContact CG-CG2 4.08Å; E458-K499 HydrophobicContact CB-CB 4.45Å; E458-K499 HydrophobicContact CB-CG 4.12Å; E458-K499 HydrophobicContact CG-CB 3.93Å; E458-K499 HydrophobicContact CG-CG 4.16Å; E458-K499 VanDerWaalsContact OE2-CE 3.3Å; E458-K499 WeakPolarHBondContact OE2-CE 3.44Å |
| 459 | K | 98.8 | Very high | 98.5 | Very high | 54 Ų | 54 | 43.8 Ų | 43.8 | 24% | 0.235 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.9 | -41.2 | 175.2 | -65 | -50.8 | 177.6 | 177.3 | 0 | 112.2 | Q422 L425 E426 N455 V456 V457 V461 T462 H463 | Q422-K459 HydrophobicContact CB-CG 4.02Å; Q422-K459 HydrophobicContact CG-CB 4.39Å; Q422-K459 HydrophobicContact CG-CG 3.63Å; L425-K459 HydrophobicContact CB-CB 4.08Å; L425-K459 HydrophobicContact CD1-CB 3.71Å; E426-K459 HydrophobicContact CG-CD 4.21Å; E426-K459 WeakPolarHBondContact OE1-CD 3.32Å; E426-K459 WeakPolarHBondContact OE1-CE 3.28Å; E426-K459 IonicContact OE1-NZ 2.88Å; E426-K459 PolarHBondContact OE1-NZ 3.41Å; N455-K459 PolarHBondContact O-N 3.37Å; V456-K459 CarbonylContact O-C 3.58Å; V456-K459 PolarHBondContact O-N 3.44Å; V456-K459 VanDerWaalsContact O-N 3.08Å; V457-K459 VanDerWaalsContact C-N 3.35Å; V457-K459 PolarHBondContact O-N 2.95Å; K459-V461 PolarHBondContact O-N 3.1Å; K459-T462 PolarHBondContact O-N 2.64Å; K459-T462 VanDerWaalsContact O-N 3.11Å; K459-H463 PolarHBondContact O-CD2 2.75Å; K459-H463 PolarHBondContact O-N 3.47Å |
| 460 | C | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.9 | -53.1 | 175.3 | -71.1 | 0 | 0 | 0 | 0 | 110.9 | I437 V456 V457 T462 H463 A464 L472 | I437-C460 HydrophobicContact CG1-CB 4.18Å; V456-C460 PolarHBondContact O-N 3.4Å; V456-C460 PolarHBondContact O-SG 3.17Å; V456-C460 VanDerWaalsContact O-SG 3.38Å; V457-C460 PolarHBondContact O-N 2.85Å; C460-T462 PolarHBondContact O-N 2.81Å; C460-H463 PolarHBondContact O-N 2.95Å; C460-A464 WeakPolarHBondContact O-CA 3.45Å; C460-A464 WeakPolarHBondContact O-CB 3.43Å; C460-A464 PolarHBondContact O-N 2.83Å; C460-L472 HydrophobicContact CB-CD1 3.9Å |
| 461 | V | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.4 | -22.8 | -179.9 | -59.9 | 0 | 0 | 0 | 0 | 113 | V457 E458 K459 R469 L472 K499 M500 V503 | V457-V461 PolarHBondContact O-N 3.37Å; E458-V461 VanDerWaalsContact O-CG2 3.29Å; E458-V461 WeakPolarHBondContact O-CG2 3.27Å; K459-V461 PolarHBondContact O-N 3.1Å; V461-R469 VanDerWaalsContact O-CD 3.25Å; V461-R469 WeakPolarHBondContact O-CD 3.25Å; V461-L472 HydrophobicContact CG1-CB 4.18Å; V461-L472 HydrophobicContact CG1-CD1 4.09Å; V461-K499 HydrophobicContact CG2-CB 4.43Å; V461-K499 HydrophobicContact CG2-CG 3.67Å; V461-M500 HydrophobicContact CG1-CE 4.07Å; V461-M500 HydrophobicContact CG1-CG 4.28Å; V461-M500 HydrophobicContact CG2-CG 4.5Å; V461-V503 HydrophobicContact CB-CG2 4.11Å; V461-V503 HydrophobicContact CG2-CG2 4.11Å; V461-V503 WeakPolarHBondContact O-CG2 3.37Å |
| 462 | T | 98.7 | Very high | 98.2 | Very high | 51 Ų | 51 | 35.2 Ų | 35.2 | 31% | 0.313 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -79.8 | -44 | 177.9 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | E458 K459 C460 | E458-T462 WeakPolarHBondContact O-CB 3.47Å; E458-T462 PolarHBondContact O-N 3.19Å; E458-T462 VanDerWaalsContact O-N 3.11Å; E458-T462 PolarHBondContact O-OG1 2.86Å; K459-T462 PolarHBondContact O-N 2.64Å; K459-T462 VanDerWaalsContact O-N 3.11Å; C460-T462 PolarHBondContact O-N 2.81Å |
| 463 | H | 98.5 | Very high | 98.1 | Very high | 57 Ų | 57 | 32.7 Ų | 32.7 | 26% | 0.264 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -106.4 | -1.8 | -170.2 | -61.7 | -77.1 | 0 | 0 | 0 | 114.4 | L425 K459 C460 | L425-H463 WeakPolarHBondContact O-CB 3.35Å; K459-H463 PolarHBondContact O-CD2 2.75Å; K459-H463 PolarHBondContact O-N 3.47Å; C460-H463 PolarHBondContact O-N 2.95Å |
| 464 | A | 98.2 | Very high | 97.8 | Very high | 8 Ų | 8 | 34 Ų | 34 | 7% | 0.066 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -62.9 | 153.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I437 C460 E468 R469 | I437-A464 HydrophobicContact CD1-CB 3.65Å; C460-A464 WeakPolarHBondContact O-CA 3.45Å; C460-A464 WeakPolarHBondContact O-CB 3.43Å; C460-A464 PolarHBondContact O-N 2.83Å; A464-E468 HydrophobicContact CB-CB 3.75Å; A464-R469 HydrophobicContact CB-CB 4.02Å; A464-R469 PolarHBondContact O-NH1 3.23Å |
| 465 | T | 98.4 | Very high | 97.6 | Very high | 57 Ų | 57 | 35.3 Ų | 35.3 | 35% | 0.35 | 19% | 0.192 | S | C | . | . | trans | -59.2 | 165.1 | 162.9 | 65 | 0 | 0 | 0 | 0 | 111 | Q430 G467 E468 R469 | Q430-T465 HydrophobicContact CG-CG2 4.35Å; Q430-T465 VanDerWaalsContact NE2-CG2 3.34Å; T465-G467 VanDerWaalsContact C-N 3.26Å; T465-G467 PolarHBondContact O-N 2.86Å; T465-E468 WeakPolarHBondContact CB-OE2 3.26Å; T465-E468 WeakPolarHBondContact CG2-OE2 3.44Å; T465-E468 PolarHBondContact N-OE2 2.77Å; T465-E468 PolarHBondContact O-N 3.27Å; T465-E468 WeakPolarHBondContact OG1-CB 3.17Å; T465-E468 VanDerWaalsContact OG1-CD 3.23Å; T465-E468 VanDerWaalsContact OG1-CG 3.32Å; T465-E468 WeakPolarHBondContact OG1-CG 3.36Å; T465-E468 PolarHBondContact OG1-N 3.02Å; T465-E468 PolarHBondContact OG1-OE2 2.84Å; T465-R469 VanDerWaalsContact O-CB 3.32Å; T465-R469 WeakPolarHBondContact O-CB 3.13Å; T465-R469 PolarHBondContact O-N 3.37Å | ||
| 466 | R | 97.5 | Very high | 97.3 | Very high | 165 Ų | 165 | 32.6 Ų | 32.6 | 62% | 0.623 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -56.5 | -40.6 | 178.4 | -62.9 | 180 | 66.5 | -156.5 | -1.8 | 112.6 | T470 E505 | R466-T470 WeakPolarHBondContact O-CB 3.45Å; R466-T470 PolarHBondContact O-N 3.14Å; R466-T470 VanDerWaalsContact O-N 3.08Å; R466-T470 PolarHBondContact O-OG1 3.12Å; R466-E505 WeakPolarHBondContact CG-OE1 2.93Å; R466-E505 IonicContact CZ-OE1 2.78Å; R466-E505 IonicContact CZ-OE2 3.32Å; R466-E505 IonicContact NE-OE1 2.73Å; R466-E505 PolarHBondContact NE-OE1 2.73Å; R466-E505 IonicContact NE-OE2 2.67Å; R466-E505 PolarHBondContact NE-OE2 3.12Å; R466-E505 IonicContact NH2-OE1 2.84Å; R466-E505 IonicContact NH2-OE2 3.14Å; R466-E505 PolarHBondContact NH2-OE2 2.83Å |
| 467 | G | 97.7 | Very high | 96.7 | Very high | 54 Ų | 54 | 32.8 Ų | 32.8 | 56% | 0.557 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -69.3 | -49.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T465 T470 G471 | T465-G467 VanDerWaalsContact C-N 3.26Å; T465-G467 PolarHBondContact O-N 2.86Å; G467-T470 WeakPolarHBondContact O-CB 3.14Å; G467-T470 PolarHBondContact O-N 2.99Å; G467-G471 PolarHBondContact O-N 3.45Å |
| 468 | E | 98.3 | Very high | 95.7 | Very high | 37 Ų | 37 | 36.1 Ų | 36.1 | 17% | 0.173 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.7 | -47.5 | 176.7 | -74.3 | 164.1 | 152.8 | 0 | 0 | 112 | S434 I437 A464 T465 T470 G471 L472 | S434-E468 WeakPolarHBondContact CA-OE1 3.33Å; S434-E468 WeakPolarHBondContact CB-OE1 2.98Å; S434-E468 PolarHBondContact OG-OE1 3.13Å; I437-E468 HydrophobicContact CD1-CB 4.45Å; I437-E468 HydrophobicContact CG2-CB 4.15Å; I437-E468 HydrophobicContact CG2-CG 4.23Å; A464-E468 HydrophobicContact CB-CB 3.75Å; T465-E468 WeakPolarHBondContact CB-OE2 3.26Å; T465-E468 WeakPolarHBondContact CG2-OE2 3.44Å; T465-E468 PolarHBondContact N-OE2 2.77Å; T465-E468 PolarHBondContact O-N 3.27Å; T465-E468 WeakPolarHBondContact OG1-CB 3.17Å; T465-E468 VanDerWaalsContact OG1-CD 3.23Å; T465-E468 VanDerWaalsContact OG1-CG 3.32Å; T465-E468 WeakPolarHBondContact OG1-CG 3.36Å; T465-E468 PolarHBondContact OG1-N 3.02Å; T465-E468 PolarHBondContact OG1-OE2 2.84Å; E468-T470 VanDerWaalsContact C-N 3.29Å; E468-T470 PolarHBondContact O-N 3.14Å; E468-G471 PolarHBondContact O-N 3.01Å; E468-G471 VanDerWaalsContact O-N 3.1Å; E468-L472 WeakPolarHBondContact O-CG 3.5Å; E468-L472 PolarHBondContact O-N 3.32Å |
| 469 | R | 98.1 | Very high | 94.2 | Very high | 36 Ų | 36 | 42.4 Ų | 42.4 | 14% | 0.136 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.8 | -44 | 176.1 | 175.6 | 173.8 | 50 | -101.3 | 0.8 | 111.3 | V461 A464 T465 G471 L472 I473 V503 E505 | V461-R469 VanDerWaalsContact O-CD 3.25Å; V461-R469 WeakPolarHBondContact O-CD 3.25Å; A464-R469 HydrophobicContact CB-CB 4.02Å; A464-R469 PolarHBondContact O-NH1 3.23Å; T465-R469 VanDerWaalsContact O-CB 3.32Å; T465-R469 WeakPolarHBondContact O-CB 3.13Å; T465-R469 PolarHBondContact O-N 3.37Å; R469-G471 VanDerWaalsContact C-N 3.33Å; R469-G471 PolarHBondContact O-N 3.11Å; R469-L472 PolarHBondContact O-N 3.35Å; R469-I473 HydrophobicContact CG-CD1 3.71Å; R469-I473 WeakPolarHBondContact O-CG1 3.47Å; R469-I473 PolarHBondContact O-N 2.76Å; R469-I473 VanDerWaalsContact O-N 3.1Å; R469-V503 WeakPolarHBondContact CD-O 3.31Å; R469-V503 PolarHBondContact NE-O 3.25Å; R469-E505 IonicContact NH2-OE1 3.66Å |
| 470 | T | 96.4 | Very high | 92.7 | Very high | 33 Ų | 33 | 43.2 Ų | 43.2 | 20% | 0.202 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 176.1 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | R466 G467 E468 L472 I473 D474 Q508 | R466-T470 WeakPolarHBondContact O-CB 3.45Å; R466-T470 PolarHBondContact O-N 3.14Å; R466-T470 VanDerWaalsContact O-N 3.08Å; R466-T470 PolarHBondContact O-OG1 3.12Å; G467-T470 WeakPolarHBondContact O-CB 3.14Å; G467-T470 PolarHBondContact O-N 2.99Å; E468-T470 VanDerWaalsContact C-N 3.29Å; E468-T470 PolarHBondContact O-N 3.14Å; T470-L472 PolarHBondContact O-N 2.96Å; T470-I473 PolarHBondContact O-N 2.87Å; T470-D474 VanDerWaalsContact O-CB 3.31Å; T470-D474 WeakPolarHBondContact O-CB 3.25Å; T470-D474 PolarHBondContact O-N 2.76Å; T470-Q508 HydrophobicContact CG2-CG 4.17Å; T470-Q508 VanDerWaalsContact CG2-NE2 3.31Å; T470-Q508 PolarHBondContact OG1-NE2 3.34Å; T470-Q508 VanDerWaalsContact OG1-NE2 3.08Å |
| 471 | G | 95.9 | Very high | 91.2 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 29% | 0.289 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.9 | -47.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G467 E468 R469 I473 D474 E475 | G467-G471 PolarHBondContact O-N 3.45Å; E468-G471 PolarHBondContact O-N 3.01Å; E468-G471 VanDerWaalsContact O-N 3.1Å; R469-G471 VanDerWaalsContact C-N 3.33Å; R469-G471 PolarHBondContact O-N 3.11Å; G471-I473 PolarHBondContact O-N 3.45Å; G471-D474 PolarHBondContact O-N 3Å; G471-E475 PolarHBondContact O-N 3.45Å |
| 472 | L | 96.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 179.8 | -64.8 | 174.3 | 0 | 0 | 0 | 112.8 | I437 V440 R441 V444 C460 V461 E468 R469 T470 E475 | I437-L472 HydrophobicContact CG2-CD1 4.09Å; I437-L472 HydrophobicContact CG2-CD2 4.42Å; I437-L472 HydrophobicContact CG2-CG 4.43Å; V440-L472 HydrophobicContact CG1-CD2 4.3Å; R441-L472 HydrophobicContact CB-CD2 4.45Å; V444-L472 HydrophobicContact CG2-CB 4.49Å; V444-L472 HydrophobicContact CG2-CD2 3.79Å; C460-L472 HydrophobicContact CB-CD1 3.9Å; V461-L472 HydrophobicContact CG1-CB 4.18Å; V461-L472 HydrophobicContact CG1-CD1 4.09Å; E468-L472 WeakPolarHBondContact O-CG 3.5Å; E468-L472 PolarHBondContact O-N 3.32Å; R469-L472 PolarHBondContact O-N 3.35Å; T470-L472 PolarHBondContact O-N 2.96Å; L472-E475 WeakPolarHBondContact O-CB 3.41Å |
| 473 | I | 95.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.8 | -40.4 | 178.5 | -65.2 | 167.9 | 0 | 0 | 0 | 110.9 | R469 T470 G471 E475 V476 C477 M500 S504 Q508 L512 | R469-I473 HydrophobicContact CG-CD1 3.71Å; R469-I473 WeakPolarHBondContact O-CG1 3.47Å; R469-I473 PolarHBondContact O-N 2.76Å; R469-I473 VanDerWaalsContact O-N 3.1Å; T470-I473 PolarHBondContact O-N 2.87Å; G471-I473 PolarHBondContact O-N 3.45Å; I473-E475 VanDerWaalsContact C-N 3.26Å; I473-E475 PolarHBondContact O-N 2.77Å; I473-V476 VanDerWaalsContact O-CG2 3.26Å; I473-V476 WeakPolarHBondContact O-CG2 3.45Å; I473-V476 PolarHBondContact O-N 3.4Å; I473-C477 PolarHBondContact O-N 3.3Å; I473-C477 PolarHBondContact O-SG 3.04Å; I473-M500 HydrophobicContact CG1-CB 4.34Å; I473-M500 HydrophobicContact CG1-CE 4.48Å; I473-M500 HydrophobicContact CG1-CG 4.02Å; I473-M500 HydrophobicContact CG1-SD 4.29Å; I473-S504 WeakPolarHBondContact CD1-OG 3.44Å; I473-Q508 HydrophobicContact CG2-CB 4.29Å; I473-L512 HydrophobicContact CG2-CD1 3.93Å; I473-L512 HydrophobicContact CG2-CD2 4.4Å; I473-L512 HydrophobicContact CG2-CG 4.06Å |
| 474 | D | 93.6 | Very high | 90.1 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 15% | 0.15 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.4 | -29.3 | 178.9 | -82.9 | -12 | 0 | 0 | 0 | 111.9 | T470 G471 V476 C477 T478 K511 | T470-D474 VanDerWaalsContact O-CB 3.31Å; T470-D474 WeakPolarHBondContact O-CB 3.25Å; T470-D474 PolarHBondContact O-N 2.76Å; G471-D474 PolarHBondContact O-N 3Å; D474-V476 VanDerWaalsContact C-N 3.32Å; D474-V476 PolarHBondContact O-N 3.45Å; D474-C477 PolarHBondContact O-N 3.24Å; D474-T478 VanDerWaalsContact O-CB 3.25Å; D474-T478 WeakPolarHBondContact O-CB 3.2Å; D474-T478 PolarHBondContact O-N 3.18Å; D474-T478 PolarHBondContact O-OG1 3Å; D474-K511 WeakPolarHBondContact OD1-CD 3.39Å; D474-K511 IonicContact OD1-NZ 2.69Å; D474-K511 PolarHBondContact OD1-NZ 2.85Å; D474-K511 IonicContact OD2-NZ 2.73Å; D474-K511 PolarHBondContact OD2-NZ 2.95Å |
| 475 | E | 94.4 | Very high | 89.9 | Confident | 33 Ų | 33 | 49.9 Ų | 49.9 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -52.7 | -46.3 | 173.8 | -171.5 | 174.9 | 133.7 | 0 | 0 | 112.5 | G442 K443 V444 G471 L472 I473 | G442-E475 VanDerWaalsContact CA-OE1 3.23Å; G442-E475 WeakPolarHBondContact CA-OE1 3.35Å; G442-E475 WeakPolarHBondContact CA-OE2 3.25Å; G442-E475 VanDerWaalsContact N-CD 3.27Å; G442-E475 PolarHBondContact N-OE1 2.86Å; G442-E475 PolarHBondContact N-OE2 3.22Å; K443-E475 PolarHBondContact N-OE1 2.85Å; K443-E475 VanDerWaalsContact N-OE1 3.17Å; V444-E475 WeakPolarHBondContact CB-OE1 3.33Å; V444-E475 HydrophobicContact CG2-CG 4.5Å; V444-E475 WeakPolarHBondContact CG2-OE1 3.32Å; V444-E475 PolarHBondContact N-OE1 2.76Å; G471-E475 PolarHBondContact O-N 3.45Å; L472-E475 WeakPolarHBondContact O-CB 3.41Å; I473-E475 VanDerWaalsContact C-N 3.26Å; I473-E475 PolarHBondContact O-N 2.77Å |
| 476 | V | 92.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -88.1 | -14.8 | -177.5 | -60.1 | 0 | 0 | 0 | 0 | 113.6 | V444 I473 D474 A483 L484 M487 M500 | V444-V476 HydrophobicContact CB-CG1 4Å; V444-V476 HydrophobicContact CG1-CG1 3.53Å; I473-V476 VanDerWaalsContact O-CG2 3.26Å; I473-V476 WeakPolarHBondContact O-CG2 3.45Å; I473-V476 PolarHBondContact O-N 3.4Å; D474-V476 VanDerWaalsContact C-N 3.32Å; D474-V476 PolarHBondContact O-N 3.45Å; V476-A483 HydrophobicContact CB-CB 4.44Å; V476-L484 HydrophobicContact CG2-CD1 4.28Å; V476-M487 HydrophobicContact CB-SD 3.97Å; V476-M487 HydrophobicContact CG1-CE 4.29Å; V476-M487 HydrophobicContact CG1-SD 3.58Å; V476-M487 VanDerWaalsContact CG1-SD 3.58Å; V476-M500 HydrophobicContact CG2-CE 4.03Å; V476-M500 HydrophobicContact CG2-SD 3.83Å |
| 477 | C | 86.4 | Confident | 89.8 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.027 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -99.9 | -28.1 | -178.6 | -64.5 | 0 | 0 | 0 | 0 | 114.2 | I473 D474 L512 K515 | I473-C477 PolarHBondContact O-N 3.3Å; I473-C477 PolarHBondContact O-SG 3.04Å; D474-C477 PolarHBondContact O-N 3.24Å; C477-L512 WeakPolarHBondContact SG-CD2 3.41Å; C477-K515 WeakPolarHBondContact O-CE 3.22Å |
| 478 | T | 78.6 | Confident | 89.8 | Confident | 70 Ų | 70 | 39 Ų | 39 | 43% | 0.429 | 21% | 0.207 | S | C | . | . | I | π-helix | trans | -115.6 | -42.7 | -165.5 | -48.3 | 0 | 0 | 0 | 0 | 112.6 | D474 | D474-T478 VanDerWaalsContact O-CB 3.25Å; D474-T478 WeakPolarHBondContact O-CB 3.2Å; D474-T478 PolarHBondContact O-N 3.18Å; D474-T478 PolarHBondContact O-OG1 3Å |
| 479 | F | 67.3 | Low | 89.7 | Confident | 170 Ų | 170 | 40 Ų | 40 | 75% | 0.746 | 21% | 0.21 | S | C | * | . | I | π-helix | trans | -93.5 | -23.8 | -168.9 | -63.6 | -80.8 | 0 | 0 | 0 | 113.6 | ||
| 480 | N | 66.8 | Low | 89.7 | Confident | 71 Ų | 71 | 39.5 Ų | 39.5 | 38% | 0.38 | 21% | 0.211 | S | C | . | . | trans | -131.9 | 92 | -178.2 | -163.4 | -8.3 | 0 | 0 | 0 | 109.8 | N482 A483 | N480-N482 PolarHBondContact O-N 2.96Å; N480-N482 PolarHBondContact OD1-OD1 3.37Å; N480-A483 HydrophobicContact CB-CB 3.77Å; N480-A483 VanDerWaalsContact O-CB 3.32Å; N480-A483 WeakPolarHBondContact O-CB 3.26Å; N480-A483 PolarHBondContact O-N 2.8Å | ||
| 481 | D | 67.1 | Low | 89.8 | Confident | 117 Ų | 117 | 42 Ų | 42 | 63% | 0.626 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -22.9 | -168.4 | -84 | -29.5 | 0 | 0 | 0 | 114.4 | K515 | D481-K515 IonicContact OD1-NZ 3.9Å; D481-K515 PolarHBondContact OD1-NZ 3.19Å |
| 482 | N | 85.6 | Confident | 89.9 | Confident | 90 Ų | 90 | 43.2 Ų | 43.2 | 48% | 0.481 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -11.4 | 177.4 | 74.9 | 7.4 | 0 | 0 | 0 | 114.1 | N480 L484 H485 V486 | N480-N482 PolarHBondContact O-N 2.96Å; N480-N482 PolarHBondContact OD1-OD1 3.37Å; N482-L484 PolarHBondContact O-N 3.41Å; N482-H485 PolarHBondContact O-N 3.19Å; N482-H485 VanDerWaalsContact O-N 3.12Å; N482-V486 WeakPolarHBondContact O-CG2 3.21Å; N482-V486 PolarHBondContact O-N 3.08Å |
| 483 | A | 93.3 | Very high | 90 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.4 | -51 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L445 V476 N480 H485 V486 M487 | L445-A483 HydrophobicContact CB-CB 4.46Å; L445-A483 HydrophobicContact CD1-CB 4.08Å; L445-A483 HydrophobicContact CD2-CB 3.92Å; L445-A483 HydrophobicContact CG-CB 4.38Å; V476-A483 HydrophobicContact CB-CB 4.44Å; N480-A483 HydrophobicContact CB-CB 3.77Å; N480-A483 VanDerWaalsContact O-CB 3.32Å; N480-A483 WeakPolarHBondContact O-CB 3.26Å; N480-A483 PolarHBondContact O-N 2.8Å; A483-H485 VanDerWaalsContact C-N 3.27Å; A483-H485 PolarHBondContact O-N 3.15Å; A483-V486 WeakPolarHBondContact O-CB 3.41Å; A483-V486 PolarHBondContact O-N 3.36Å; A483-V486 VanDerWaalsContact O-N 3.15Å; A483-M487 VanDerWaalsContact O-CG 3.26Å; A483-M487 WeakPolarHBondContact O-CG 3.4Å; A483-M487 PolarHBondContact O-N 2.69Å |
| 484 | L | 93.7 | Very high | 90.1 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.7 | -38.9 | 177.8 | -166.6 | 67.5 | 0 | 0 | 0 | 112.1 | V476 N482 M487 M488 V497 L512 K515 I516 | V476-L484 HydrophobicContact CG2-CD1 4.28Å; N482-L484 PolarHBondContact O-N 3.41Å; L484-M487 PolarHBondContact O-N 2.86Å; L484-M488 VanDerWaalsContact O-CG 3.26Å; L484-M488 WeakPolarHBondContact O-CG 3.48Å; L484-M488 PolarHBondContact O-N 3.33Å; L484-V497 HydrophobicContact CD1-CG1 4.08Å; L484-V497 HydrophobicContact CD1-CG2 3.87Å; L484-L512 HydrophobicContact CD1-CD2 3.76Å; L484-L512 HydrophobicContact CD2-CD2 3.91Å; L484-K515 HydrophobicContact CD2-CB 3.63Å; L484-I516 HydrophobicContact CD2-CD1 4.45Å; L484-I516 HydrophobicContact CD2-CG1 3.79Å |
| 485 | H | 93.4 | Very high | 90.4 | Very high | 42 Ų | 42 | 47.7 Ų | 47.7 | 19% | 0.194 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67 | -39.9 | 177.3 | -179.9 | -158.9 | 0 | 0 | 0 | 112.1 | N482 A483 M488 K489 H519 | N482-H485 PolarHBondContact O-N 3.19Å; N482-H485 VanDerWaalsContact O-N 3.12Å; A483-H485 VanDerWaalsContact C-N 3.27Å; A483-H485 PolarHBondContact O-N 3.15Å; H485-M488 HydrophobicContact CB-CE 4.41Å; H485-K489 PolarHBondContact NE2-NZ 3.3Å; H485-K489 VanDerWaalsContact O-CE 3.25Å; H485-K489 WeakPolarHBondContact O-CE 3.23Å; H485-H519 AromaticContact CE1-CE1 3.91Å; H485-H519 AromaticContact CE1-ND1 3.81Å; H485-H519 AromaticContact CG-CE1 3.95Å; H485-H519 AromaticContact CG-NE2 3.94Å; H485-H519 AromaticContact ND1-CE1 3.61Å; H485-H519 AromaticContact ND1-ND1 3.9Å; H485-H519 AromaticContact ND1-NE2 3.98Å; H485-H519 AromaticContact NE2-ND1 3.99Å |
| 486 | V | 95.9 | Very high | 90.6 | Very high | 46 Ų | 46 | 46.1 Ų | 46.1 | 28% | 0.279 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.6 | -50.7 | 172.3 | 172.1 | 0 | 0 | 0 | 0 | 110 | L445 N482 A483 M488 K489 D490 | L445-V486 HydrophobicContact CD1-CB 4.29Å; L445-V486 HydrophobicContact CD1-CG1 4.16Å; N482-V486 WeakPolarHBondContact O-CG2 3.21Å; N482-V486 PolarHBondContact O-N 3.08Å; A483-V486 WeakPolarHBondContact O-CB 3.41Å; A483-V486 PolarHBondContact O-N 3.36Å; A483-V486 VanDerWaalsContact O-N 3.15Å; V486-M488 PolarHBondContact O-N 3.14Å; V486-K489 PolarHBondContact O-N 3.36Å; V486-K489 VanDerWaalsContact O-N 3.08Å; V486-D490 PolarHBondContact O-N 3.39Å |
| 487 | M | 97.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.1 | -41.9 | -176.8 | -68.4 | 170.7 | 67 | 0 | 0 | 112.9 | L445 S448 V476 A483 L484 K489 D490 A493 N494 V496 V497 | L445-M487 HydrophobicContact CD1-CG 3.52Å; L445-M487 HydrophobicContact CD1-SD 4.11Å; S448-M487 WeakPolarHBondContact OG-CE 3.15Å; V476-M487 HydrophobicContact CB-SD 3.97Å; V476-M487 HydrophobicContact CG1-CE 4.29Å; V476-M487 HydrophobicContact CG1-SD 3.58Å; V476-M487 VanDerWaalsContact CG1-SD 3.58Å; A483-M487 VanDerWaalsContact O-CG 3.26Å; A483-M487 WeakPolarHBondContact O-CG 3.4Å; A483-M487 PolarHBondContact O-N 2.69Å; L484-M487 PolarHBondContact O-N 2.86Å; M487-K489 PolarHBondContact O-N 2.73Å; M487-K489 VanDerWaalsContact O-N 3.14Å; M487-D490 PolarHBondContact O-N 2.96Å; M487-A493 HydrophobicContact CB-CB 3.67Å; M487-A493 HydrophobicContact CE-CB 4.45Å; M487-A493 HydrophobicContact CG-CB 3.84Å; M487-A493 CarbonylContact O-C 3.58Å; M487-N494 WeakPolarHBondContact O-CA 3.39Å; M487-N494 PolarHBondContact O-N 3.45Å; M487-V496 HydrophobicContact CE-CB 4.22Å; M487-V496 HydrophobicContact CE-CG1 3.99Å; M487-V497 HydrophobicContact CB-CG2 3.65Å; M487-V497 HydrophobicContact CE-CG2 4Å |
| 488 | M | 97.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.3 | -24.9 | 178.7 | -75.2 | -171 | -68.2 | 0 | 0 | 113.7 | L484 H485 V486 V497 I516 H519 L523 G529 I532 | L484-M488 VanDerWaalsContact O-CG 3.26Å; L484-M488 WeakPolarHBondContact O-CG 3.48Å; L484-M488 PolarHBondContact O-N 3.33Å; H485-M488 HydrophobicContact CB-CE 4.41Å; V486-M488 PolarHBondContact O-N 3.14Å; M488-V497 HydrophobicContact CG-CG1 4.03Å; M488-V497 HydrophobicContact CG-CG2 4.24Å; M488-I516 HydrophobicContact CE-CG1 4.3Å; M488-I516 HydrophobicContact CE-CG2 4.43Å; M488-I516 HydrophobicContact SD-CB 4.16Å; M488-I516 HydrophobicContact SD-CD1 4.42Å; M488-I516 HydrophobicContact SD-CG1 3.7Å; M488-I516 HydrophobicContact SD-CG2 3.68Å; M488-H519 HydrophobicContact CE-CB 4.25Å; M488-L523 HydrophobicContact CB-CD2 3.83Å; M488-L523 HydrophobicContact CE-CD1 4.08Å; M488-L523 HydrophobicContact CE-CD2 4.47Å; M488-L523 HydrophobicContact SD-CD1 3.62Å; M488-L523 HydrophobicContact SD-CD2 4.38Å; M488-G529 WeakPolarHBondContact O-CA 3.38Å; M488-G529 PolarHBondContact O-N 2.86Å; M488-I532 HydrophobicContact CB-CG1 4.01Å; M488-I532 HydrophobicContact CG-CD1 4.43Å; M488-I532 HydrophobicContact CG-CG1 3.93Å; M488-I532 HydrophobicContact CG-CG2 4.37Å; M488-I532 HydrophobicContact SD-CG1 4.45Å; M488-I532 HydrophobicContact SD-CG2 3.92Å |
| 489 | K | 96.8 | Very high | 92.3 | Very high | 58 Ų | 58 | 47 Ų | 47 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -98 | -12.5 | -177.5 | -62.8 | 179.7 | -61.2 | -169.4 | 0 | 113.3 | H485 V486 M487 L523 Y526 Y528 | H485-K489 PolarHBondContact NE2-NZ 3.3Å; H485-K489 VanDerWaalsContact O-CE 3.25Å; H485-K489 WeakPolarHBondContact O-CE 3.23Å; V486-K489 PolarHBondContact O-N 3.36Å; V486-K489 VanDerWaalsContact O-N 3.08Å; M487-K489 PolarHBondContact O-N 2.73Å; M487-K489 VanDerWaalsContact O-N 3.14Å; K489-L523 HydrophobicContact CG-CD2 4.2Å; K489-Y526 HydrophobicContact CB-CD1 4.4Å; K489-Y526 HydrophobicContact CD-CD1 3.73Å; K489-Y526 HydrophobicContact CD-CD2 3.89Å; K489-Y526 HydrophobicContact CD-CE1 3.52Å; K489-Y526 HydrophobicContact CD-CE2 3.67Å; K489-Y526 HydrophobicContact CD-CG 3.9Å; K489-Y526 VanDerWaalsContact CD-CZ 3.47Å; K489-Y526 HydrophobicContact CG-CD1 4.05Å; K489-Y526 HydrophobicContact CG-CD2 4.09Å; K489-Y526 HydrophobicContact CG-CE1 4.35Å; K489-Y526 HydrophobicContact CG-CE2 4.37Å; K489-Y526 HydrophobicContact CG-CG 3.9Å; K489-Y528 WeakPolarHBondContact O-CD2 3.29Å |
| 490 | D | 98.4 | Very high | 93.8 | Very high | 27 Ų | 27 | 38.9 Ų | 38.9 | 14% | 0.144 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -79.9 | 153 | -177.6 | 177.1 | -104.2 | 0 | 0 | 0 | 112 | Q449 V486 M487 Y492 A493 N494 Y528 | Q449-D490 WeakPolarHBondContact CA-OD1 3.35Å; Q449-D490 HydrophobicContact CG-CB 4.14Å; V486-D490 PolarHBondContact O-N 3.39Å; M487-D490 PolarHBondContact O-N 2.96Å; D490-Y492 VanDerWaalsContact C-N 3.29Å; D490-Y492 PolarHBondContact O-N 3.42Å; D490-Y492 PolarHBondContact OD1-N 3.11Å; D490-A493 HydrophobicContact CB-CB 3.96Å; D490-A493 PolarHBondContact OD1-N 3.38Å; D490-N494 WeakPolarHBondContact O-CB 3.47Å; D490-N494 PolarHBondContact O-ND2 3.43Å; D490-Y528 WeakPolarHBondContact O-CB 3.02Å |
| 491 | Q | 98.1 | Very high | 95.1 | Very high | 84 Ų | 84 | 35.6 Ų | 35.6 | 39% | 0.393 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -23.7 | -176.2 | 73.2 | -167.5 | -73.4 | 0 | 0 | 114.1 | N494 Y495 Y528 | Q491-N494 VanDerWaalsContact C-ND2 3.32Å; Q491-N494 PolarHBondContact O-ND2 2.81Å; Q491-N494 VanDerWaalsContact O-ND2 3.08Å; Q491-Y495 WeakPolarHBondContact O-CE2 3.35Å; Q491-Y528 HydrophobicContact CB-CD1 4.17Å; Q491-Y528 HydrophobicContact CB-CD2 4.04Å; Q491-Y528 HydrophobicContact CB-CE1 3.66Å; Q491-Y528 HydrophobicContact CB-CE2 3.53Å; Q491-Y528 HydrophobicContact CB-CG 4.33Å |
| 492 | Y | 98.6 | Very high | 96.5 | Very high | 55 Ų | 55 | 34.3 Ų | 34.3 | 22% | 0.216 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -46.4 | 179.3 | -54.1 | -62.4 | 0 | 0 | 0 | 111.7 | S448 Q449 K451 D490 N494 Y495 | S448-Y492 CarbonylContact O-C 3.51Å; Q449-Y492 VanDerWaalsContact O-CD2 3.3Å; Q449-Y492 WeakPolarHBondContact O-CD2 3.48Å; K451-Y492 HydrophobicContact CB-CD2 4.46Å; K451-Y492 HydrophobicContact CB-CE1 3.94Å; K451-Y492 HydrophobicContact CB-CE2 3.86Å; K451-Y492 HydrophobicContact CG-CE1 3.8Å; D490-Y492 VanDerWaalsContact C-N 3.29Å; D490-Y492 PolarHBondContact O-N 3.42Å; D490-Y492 PolarHBondContact OD1-N 3.11Å; Y492-N494 PolarHBondContact O-N 3.49Å; Y492-N494 VanDerWaalsContact O-N 3.08Å; Y492-Y495 WeakPolarHBondContact O-CB 3.23Å; Y492-Y495 WeakPolarHBondContact O-CD2 3.46Å; Y492-Y495 PolarHBondContact O-N 3.18Å |
| 493 | A | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.3 | -20.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S448 Q449 M487 D490 Y495 V496 V497 | S448-A493 WeakPolarHBondContact O-CA 3.27Å; S448-A493 VanDerWaalsContact O-CB 3.29Å; S448-A493 WeakPolarHBondContact O-CB 3.42Å; S448-A493 PolarHBondContact O-N 3.39Å; Q449-A493 HydrophobicContact CG-CB 4.09Å; M487-A493 HydrophobicContact CB-CB 3.67Å; M487-A493 HydrophobicContact CE-CB 4.45Å; M487-A493 HydrophobicContact CG-CB 3.84Å; M487-A493 CarbonylContact O-C 3.58Å; D490-A493 HydrophobicContact CB-CB 3.96Å; D490-A493 PolarHBondContact OD1-N 3.38Å; A493-Y495 PolarHBondContact O-N 3.08Å; A493-V496 WeakPolarHBondContact O-CB 3.12Å; A493-V496 PolarHBondContact O-N 3.39Å; A493-V496 VanDerWaalsContact O-N 3.13Å; A493-V497 WeakPolarHBondContact O-CG2 3.45Å; A493-V497 PolarHBondContact O-N 2.93Å |
| 494 | N | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.4 | -32.7 | 172.9 | 78.7 | 89.7 | 0 | 0 | 0 | 111.6 | M487 D490 Q491 Y492 Q498 I532 | M487-N494 WeakPolarHBondContact O-CA 3.39Å; M487-N494 PolarHBondContact O-N 3.45Å; D490-N494 WeakPolarHBondContact O-CB 3.47Å; D490-N494 PolarHBondContact O-ND2 3.43Å; Q491-N494 VanDerWaalsContact C-ND2 3.32Å; Q491-N494 PolarHBondContact O-ND2 2.81Å; Q491-N494 VanDerWaalsContact O-ND2 3.08Å; Y492-N494 PolarHBondContact O-N 3.49Å; Y492-N494 VanDerWaalsContact O-N 3.08Å; N494-Q498 WeakPolarHBondContact O-CB 3.2Å; N494-Q498 WeakPolarHBondContact O-CG 3.48Å; N494-Q498 PolarHBondContact O-N 3.44Å; N494-Q498 PolarHBondContact O-NE2 3.26Å; N494-Q498 PolarHBondContact OD1-NE2 3.39Å; N494-Q498 VanDerWaalsContact OD1-NE2 3.07Å; N494-I532 HydrophobicContact CB-CD1 4.09Å; N494-I532 WeakPolarHBondContact O-CD1 3.3Å |
| 495 | Y | 98.6 | Very high | 97.2 | Very high | 125 Ų | 125 | 34.6 Ų | 34.6 | 49% | 0.49 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -69 | -39.7 | 174.8 | -65 | -79.5 | 0 | 0 | 0 | 111.4 | E458 Q491 Y492 A493 V497 Q498 K499 | E458-Y495 WeakPolarHBondContact OE1-CB 3.39Å; Q491-Y495 WeakPolarHBondContact O-CE2 3.35Å; Y492-Y495 WeakPolarHBondContact O-CB 3.23Å; Y492-Y495 WeakPolarHBondContact O-CD2 3.46Å; Y492-Y495 PolarHBondContact O-N 3.18Å; A493-Y495 PolarHBondContact O-N 3.08Å; Y495-V497 PolarHBondContact O-N 3.41Å; Y495-Q498 WeakPolarHBondContact O-CB 3.42Å; Y495-Q498 PolarHBondContact O-N 2.99Å; Y495-K499 PolarHBondContact O-N 3.42Å |
| 496 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.7 | -46.1 | 173.7 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | V457 E458 M487 A493 Q498 K499 M500 | V457-V496 HydrophobicContact CB-CG1 4.31Å; V457-V496 HydrophobicContact CB-CG2 4.35Å; V457-V496 HydrophobicContact CG1-CG1 3.57Å; V457-V496 HydrophobicContact CG1-CG2 4.45Å; E458-V496 HydrophobicContact CG-CG2 4.08Å; M487-V496 HydrophobicContact CE-CB 4.22Å; M487-V496 HydrophobicContact CE-CG1 3.99Å; A493-V496 WeakPolarHBondContact O-CB 3.12Å; A493-V496 PolarHBondContact O-N 3.39Å; A493-V496 VanDerWaalsContact O-N 3.13Å; V496-Q498 VanDerWaalsContact C-N 3.31Å; V496-Q498 PolarHBondContact O-N 3.43Å; V496-K499 WeakPolarHBondContact O-CB 3.45Å; V496-K499 PolarHBondContact O-N 3.44Å; V496-K499 VanDerWaalsContact O-N 3.11Å; V496-M500 HydrophobicContact CG1-CE 3.95Å; V496-M500 HydrophobicContact CG1-CG 4.47Å; V496-M500 HydrophobicContact CG1-SD 4.41Å; V496-M500 WeakPolarHBondContact O-CG 3.22Å; V496-M500 PolarHBondContact O-N 3.34Å |
| 497 | V | 98 | Very high | 97 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -44 | 176.2 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | L484 M487 M488 A493 Y495 K499 M500 I501 I516 I532 | L484-V497 HydrophobicContact CD1-CG1 4.08Å; L484-V497 HydrophobicContact CD1-CG2 3.87Å; M487-V497 HydrophobicContact CB-CG2 3.65Å; M487-V497 HydrophobicContact CE-CG2 4Å; M488-V497 HydrophobicContact CG-CG1 4.03Å; M488-V497 HydrophobicContact CG-CG2 4.24Å; A493-V497 WeakPolarHBondContact O-CG2 3.45Å; A493-V497 PolarHBondContact O-N 2.93Å; Y495-V497 PolarHBondContact O-N 3.41Å; V497-K499 VanDerWaalsContact C-N 3.29Å; V497-K499 PolarHBondContact O-N 3.23Å; V497-M500 PolarHBondContact O-N 2.94Å; V497-I501 HydrophobicContact CG1-CD1 4.2Å; V497-I501 WeakPolarHBondContact O-CG1 3.45Å; V497-I501 PolarHBondContact O-N 3.31Å; V497-I516 HydrophobicContact CG1-CD1 4.45Å; V497-I532 HydrophobicContact CB-CD1 4.19Å; V497-I532 HydrophobicContact CG1-CD1 4.17Å |
| 498 | Q | 97.9 | Very high | 96.7 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 16% | 0.164 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.6 | -40.9 | 175.2 | -72.5 | 179.3 | 76 | 0 | 0 | 111.6 | N494 Y495 V496 I501 D502 I532 K535 | N494-Q498 WeakPolarHBondContact O-CB 3.2Å; N494-Q498 WeakPolarHBondContact O-CG 3.48Å; N494-Q498 PolarHBondContact O-N 3.44Å; N494-Q498 PolarHBondContact O-NE2 3.26Å; N494-Q498 PolarHBondContact OD1-NE2 3.39Å; N494-Q498 VanDerWaalsContact OD1-NE2 3.07Å; Y495-Q498 WeakPolarHBondContact O-CB 3.42Å; Y495-Q498 PolarHBondContact O-N 2.99Å; V496-Q498 VanDerWaalsContact C-N 3.31Å; V496-Q498 PolarHBondContact O-N 3.43Å; Q498-I501 PolarHBondContact O-N 2.89Å; Q498-D502 PolarHBondContact O-N 3.48Å; Q498-I532 HydrophobicContact CG-CD1 3.67Å; Q498-K535 HydrophobicContact CB-CD 3.52Å; Q498-K535 HydrophobicContact CG-CB 4.48Å; Q498-K535 HydrophobicContact CG-CD 3.46Å; Q498-K535 VanDerWaalsContact CG-CD 3.46Å; Q498-K535 VanDerWaalsContact O-CE 3.28Å; Q498-K535 WeakPolarHBondContact O-CE 3.33Å; Q498-K535 PolarHBondContact O-NZ 2.88Å |
| 499 | K | 98.3 | Very high | 96.5 | Very high | 60 Ų | 60 | 41.7 Ų | 41.7 | 26% | 0.261 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.8 | -45.4 | 176.7 | -175.7 | 59.6 | 60.5 | -179 | 0 | 111.5 | E458 V461 Y495 V496 V497 I501 D502 V503 | E458-K499 HydrophobicContact CB-CB 4.45Å; E458-K499 HydrophobicContact CB-CG 4.12Å; E458-K499 HydrophobicContact CG-CB 3.93Å; E458-K499 HydrophobicContact CG-CG 4.16Å; E458-K499 VanDerWaalsContact OE2-CE 3.3Å; E458-K499 WeakPolarHBondContact OE2-CE 3.44Å; V461-K499 HydrophobicContact CG2-CB 4.43Å; V461-K499 HydrophobicContact CG2-CG 3.67Å; Y495-K499 PolarHBondContact O-N 3.42Å; V496-K499 WeakPolarHBondContact O-CB 3.45Å; V496-K499 PolarHBondContact O-N 3.44Å; V496-K499 VanDerWaalsContact O-N 3.11Å; V497-K499 VanDerWaalsContact C-N 3.29Å; V497-K499 PolarHBondContact O-N 3.23Å; K499-I501 PolarHBondContact O-N 3.25Å; K499-D502 WeakPolarHBondContact O-CB 3.37Å; K499-D502 PolarHBondContact O-N 3.18Å; K499-V503 HydrophobicContact CD-CG1 4.04Å; K499-V503 WeakPolarHBondContact O-CG2 3.38Å; K499-V503 PolarHBondContact O-N 3.36Å; K499-V503 VanDerWaalsContact O-N 3.08Å |
| 500 | M | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.5 | -40.8 | 175.6 | -71.9 | 178.2 | 169.9 | 0 | 0 | 111.5 | V444 V461 I473 V476 V496 V497 D502 V503 S504 L512 | V444-M500 HydrophobicContact CG1-CE 3.81Å; V461-M500 HydrophobicContact CG1-CE 4.07Å; V461-M500 HydrophobicContact CG1-CG 4.28Å; V461-M500 HydrophobicContact CG2-CG 4.5Å; I473-M500 HydrophobicContact CG1-CB 4.34Å; I473-M500 HydrophobicContact CG1-CE 4.48Å; I473-M500 HydrophobicContact CG1-CG 4.02Å; I473-M500 HydrophobicContact CG1-SD 4.29Å; V476-M500 HydrophobicContact CG2-CE 4.03Å; V476-M500 HydrophobicContact CG2-SD 3.83Å; V496-M500 HydrophobicContact CG1-CE 3.95Å; V496-M500 HydrophobicContact CG1-CG 4.47Å; V496-M500 HydrophobicContact CG1-SD 4.41Å; V496-M500 WeakPolarHBondContact O-CG 3.22Å; V496-M500 PolarHBondContact O-N 3.34Å; V497-M500 PolarHBondContact O-N 2.94Å; M500-D502 VanDerWaalsContact C-N 3.33Å; M500-D502 PolarHBondContact O-N 2.85Å; M500-V503 PolarHBondContact O-N 3.31Å; M500-S504 WeakPolarHBondContact O-CB 3.01Å; M500-S504 PolarHBondContact O-N 3.08Å; M500-S504 PolarHBondContact O-OG 2.96Å; M500-L512 HydrophobicContact CB-CD1 4.15Å |
| 501 | I | 96 | Very high | 95.9 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.8 | -40.4 | 174.6 | -67.3 | 164.8 | 0 | 0 | 0 | 111.7 | V497 Q498 K499 L509 M513 I516 L536 | V497-I501 HydrophobicContact CG1-CD1 4.2Å; V497-I501 WeakPolarHBondContact O-CG1 3.45Å; V497-I501 PolarHBondContact O-N 3.31Å; Q498-I501 PolarHBondContact O-N 2.89Å; K499-I501 PolarHBondContact O-N 3.25Å; I501-L509 HydrophobicContact CG2-CD1 4.04Å; I501-M513 HydrophobicContact CB-CE 4.46Å; I501-M513 HydrophobicContact CD1-CE 4.13Å; I501-M513 HydrophobicContact CG1-CE 3.81Å; I501-M513 HydrophobicContact CG2-CE 3.91Å; I501-I516 HydrophobicContact CD1-CD1 4.06Å; I501-L536 HydrophobicContact CD1-CD2 3.95Å |
| 502 | D | 95.9 | Very high | 95.7 | Very high | 90 Ų | 90 | 44.7 Ų | 44.7 | 48% | 0.481 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -69.7 | -38.1 | -178.5 | -65.7 | -25.2 | 0 | 0 | 0 | 112.8 | Q498 K499 M500 K535 | Q498-D502 PolarHBondContact O-N 3.48Å; K499-D502 WeakPolarHBondContact O-CB 3.37Å; K499-D502 PolarHBondContact O-N 3.18Å; M500-D502 VanDerWaalsContact C-N 3.33Å; M500-D502 PolarHBondContact O-N 2.85Å; D502-K535 WeakPolarHBondContact OD1-CE 3.49Å; D502-K535 IonicContact OD1-NZ 3.57Å; D502-K535 PolarHBondContact OD1-NZ 3.48Å; D502-K535 IonicContact OD2-NZ 3.52Å; D502-K535 PolarHBondContact OD2-NZ 3.37Å |
| 503 | V | 96.5 | Very high | 95.3 | Very high | 35 Ų | 35 | 42.6 Ų | 42.6 | 21% | 0.212 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -98.6 | -5.5 | -172.4 | -54.9 | 0 | 0 | 0 | 0 | 113.5 | V461 R469 K499 M500 | V461-V503 HydrophobicContact CB-CG2 4.11Å; V461-V503 HydrophobicContact CG2-CG2 4.11Å; V461-V503 WeakPolarHBondContact O-CG2 3.37Å; R469-V503 WeakPolarHBondContact CD-O 3.31Å; R469-V503 PolarHBondContact NE-O 3.25Å; K499-V503 HydrophobicContact CD-CG1 4.04Å; K499-V503 WeakPolarHBondContact O-CG2 3.38Å; K499-V503 PolarHBondContact O-N 3.36Å; K499-V503 VanDerWaalsContact O-N 3.08Å; M500-V503 PolarHBondContact O-N 3.31Å |
| 504 | S | 96.1 | Very high | 95 | Very high | 18 Ų | 18 | 46.3 Ų | 46.3 | 13% | 0.126 | 24% | 0.237 | C | C | . | . | trans | -68.7 | 133.9 | 179.8 | -75.8 | 0 | 0 | 0 | 0 | 112 | I473 M500 L512 | I473-S504 WeakPolarHBondContact CD1-OG 3.44Å; M500-S504 WeakPolarHBondContact O-CB 3.01Å; M500-S504 PolarHBondContact O-N 3.08Å; M500-S504 PolarHBondContact O-OG 2.96Å; S504-L512 WeakPolarHBondContact OG-CD1 3.47Å | ||
| 505 | E | 93.6 | Very high | 94.7 | Very high | 48 Ų | 48 | 49.9 Ų | 49.9 | 22% | 0.224 | 25% | 0.252 | C | S | . | . | trans | -70.3 | 160.8 | 164 | -69.9 | 176.6 | -152.7 | 0 | 0 | 110.6 | R466 R469 T507 Q508 L509 | R466-E505 WeakPolarHBondContact CG-OE1 2.93Å; R466-E505 IonicContact CZ-OE1 2.78Å; R466-E505 IonicContact CZ-OE2 3.32Å; R466-E505 IonicContact NE-OE1 2.73Å; R466-E505 PolarHBondContact NE-OE1 2.73Å; R466-E505 IonicContact NE-OE2 2.67Å; R466-E505 PolarHBondContact NE-OE2 3.12Å; R466-E505 IonicContact NH2-OE1 2.84Å; R466-E505 IonicContact NH2-OE2 3.14Å; R466-E505 PolarHBondContact NH2-OE2 2.83Å; R469-E505 IonicContact NH2-OE1 3.66Å; E505-T507 PolarHBondContact O-N 3.21Å; E505-Q508 PolarHBondContact O-N 3.21Å; E505-Q508 VanDerWaalsContact O-N 3.11Å; E505-Q508 PolarHBondContact O-OE1 2.99Å; E505-L509 WeakPolarHBondContact O-CB 3.47Å; E505-L509 PolarHBondContact O-N 3.31Å | ||
| 506 | P | 93.1 | Very high | 94.4 | Very high | 106 Ų | 106 | 44 Ų | 44 | 69% | 0.688 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -53.4 | -36 | -170.6 | -30 | 36.3 | 0 | 0 | 0 | 115 | K510 | P506-K510 WeakPolarHBondContact O-CB 3.34Å; P506-K510 PolarHBondContact O-N 2.92Å |
| 507 | T | 92.1 | Very high | 94.1 | Very high | 95 Ų | 95 | 50.5 Ų | 50.5 | 58% | 0.583 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -66.7 | -49.2 | 179.5 | -56 | 0 | 0 | 0 | 0 | 111.8 | E505 K510 K511 | E505-T507 PolarHBondContact O-N 3.21Å; T507-K510 PolarHBondContact O-N 2.92Å; T507-K511 PolarHBondContact O-N 3.34Å |
| 508 | Q | 91.7 | Very high | 93.8 | Very high | 20 Ų | 20 | 55.2 Ų | 55.2 | 9% | 0.093 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.6 | -40 | 179.8 | -68.7 | 73.3 | 11.6 | 0 | 0 | 110.4 | T470 I473 E505 K510 K511 L512 | T470-Q508 HydrophobicContact CG2-CG 4.17Å; T470-Q508 VanDerWaalsContact CG2-NE2 3.31Å; T470-Q508 PolarHBondContact OG1-NE2 3.34Å; T470-Q508 VanDerWaalsContact OG1-NE2 3.08Å; I473-Q508 HydrophobicContact CG2-CB 4.29Å; E505-Q508 PolarHBondContact O-N 3.21Å; E505-Q508 VanDerWaalsContact O-N 3.11Å; E505-Q508 PolarHBondContact O-OE1 2.99Å; Q508-K510 VanDerWaalsContact C-N 3.32Å; Q508-K510 PolarHBondContact O-N 3.4Å; Q508-K511 WeakPolarHBondContact O-CB 3.36Å; Q508-K511 PolarHBondContact O-N 2.86Å; Q508-K511 VanDerWaalsContact O-N 3.11Å; Q508-L512 PolarHBondContact O-N 2.81Å |
| 509 | L | 93.2 | Very high | 93.5 | Very high | 17 Ų | 17 | 56 Ų | 56 | 9% | 0.089 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 175.6 | -176 | 71.9 | 0 | 0 | 0 | 111.4 | I501 E505 K511 L512 M513 Y539 | I501-L509 HydrophobicContact CG2-CD1 4.04Å; E505-L509 WeakPolarHBondContact O-CB 3.47Å; E505-L509 PolarHBondContact O-N 3.31Å; L509-K511 VanDerWaalsContact C-N 3.27Å; L509-K511 PolarHBondContact O-N 3.28Å; L509-L512 WeakPolarHBondContact O-CB 3.41Å; L509-L512 PolarHBondContact O-N 2.96Å; L509-M513 HydrophobicContact CD1-CE 3.44Å; L509-M513 VanDerWaalsContact CD1-CE 3.44Å; L509-M513 HydrophobicContact CG-CE 4.23Å; L509-M513 HydrophobicContact CG-CG 4.36Å; L509-M513 VanDerWaalsContact O-CG 3.29Å; L509-M513 WeakPolarHBondContact O-CG 3.31Å; L509-M513 PolarHBondContact O-N 3.18Å; L509-Y539 HydrophobicContact CD2-CE1 3.73Å; L509-Y539 VanDerWaalsContact CD2-CZ 3.49Å; L509-Y539 WeakPolarHBondContact CD2-OH 3.17Å |
| 510 | K | 92.1 | Very high | 93.2 | Very high | 156 Ų | 156 | 55.5 Ų | 55.5 | 68% | 0.678 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59 | -39.2 | 175.7 | -173.9 | 177.2 | 179.5 | 179.5 | 0 | 111.7 | P506 T507 Q508 T514 | P506-K510 WeakPolarHBondContact O-CB 3.34Å; P506-K510 PolarHBondContact O-N 2.92Å; T507-K510 PolarHBondContact O-N 2.92Å; Q508-K510 VanDerWaalsContact C-N 3.32Å; Q508-K510 PolarHBondContact O-N 3.4Å; K510-T514 WeakPolarHBondContact O-CB 3.4Å; K510-T514 PolarHBondContact O-N 3.43Å; K510-T514 PolarHBondContact O-OG1 2.98Å |
| 511 | K | 91.2 | Very high | 92.9 | Very high | 76 Ų | 76 | 58.5 Ų | 58.5 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.6 | -51.6 | 173.9 | -65.2 | -177 | -175.2 | -179.5 | 0 | 111.4 | D474 T507 Q508 L509 M513 T514 K515 | D474-K511 WeakPolarHBondContact OD1-CD 3.39Å; D474-K511 IonicContact OD1-NZ 2.69Å; D474-K511 PolarHBondContact OD1-NZ 2.85Å; D474-K511 IonicContact OD2-NZ 2.73Å; D474-K511 PolarHBondContact OD2-NZ 2.95Å; T507-K511 PolarHBondContact O-N 3.34Å; Q508-K511 WeakPolarHBondContact O-CB 3.36Å; Q508-K511 PolarHBondContact O-N 2.86Å; Q508-K511 VanDerWaalsContact O-N 3.11Å; L509-K511 VanDerWaalsContact C-N 3.27Å; L509-K511 PolarHBondContact O-N 3.28Å; K511-M513 PolarHBondContact O-N 3.32Å; K511-T514 PolarHBondContact O-N 2.84Å; K511-T514 VanDerWaalsContact O-N 3.15Å; K511-K515 PolarHBondContact O-N 3.04Å; K511-K515 VanDerWaalsContact O-N 3.15Å |
| 512 | L | 92.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -52.7 | -52.4 | 175.8 | -81.1 | 165.1 | 0 | 0 | 0 | 111 | I473 C477 L484 M500 S504 Q508 L509 T514 K515 I516 | I473-L512 HydrophobicContact CG2-CD1 3.93Å; I473-L512 HydrophobicContact CG2-CD2 4.4Å; I473-L512 HydrophobicContact CG2-CG 4.06Å; C477-L512 WeakPolarHBondContact SG-CD2 3.41Å; L484-L512 HydrophobicContact CD1-CD2 3.76Å; L484-L512 HydrophobicContact CD2-CD2 3.91Å; M500-L512 HydrophobicContact CB-CD1 4.15Å; S504-L512 WeakPolarHBondContact OG-CD1 3.47Å; Q508-L512 PolarHBondContact O-N 2.81Å; L509-L512 WeakPolarHBondContact O-CB 3.41Å; L509-L512 PolarHBondContact O-N 2.96Å; L512-T514 VanDerWaalsContact C-N 3.27Å; L512-T514 PolarHBondContact O-N 3.39Å; L512-K515 PolarHBondContact O-N 3.36Å; L512-K515 VanDerWaalsContact O-N 3.1Å; L512-I516 HydrophobicContact CB-CD1 4.42Å; L512-I516 VanDerWaalsContact O-CG1 3.23Å; L512-I516 WeakPolarHBondContact O-CG1 3.47Å; L512-I516 PolarHBondContact O-N 2.95Å |
| 513 | M | 91.8 | Very high | 92.6 | Very high | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.059 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.8 | -36.7 | -179.1 | -66.8 | -52.9 | 135.6 | 0 | 0 | 112.8 | I501 L509 K511 K515 I516 R517 L536 | I501-M513 HydrophobicContact CB-CE 4.46Å; I501-M513 HydrophobicContact CD1-CE 4.13Å; I501-M513 HydrophobicContact CG1-CE 3.81Å; I501-M513 HydrophobicContact CG2-CE 3.91Å; L509-M513 HydrophobicContact CD1-CE 3.44Å; L509-M513 VanDerWaalsContact CD1-CE 3.44Å; L509-M513 HydrophobicContact CG-CE 4.23Å; L509-M513 HydrophobicContact CG-CG 4.36Å; L509-M513 VanDerWaalsContact O-CG 3.29Å; L509-M513 WeakPolarHBondContact O-CG 3.31Å; L509-M513 PolarHBondContact O-N 3.18Å; K511-M513 PolarHBondContact O-N 3.32Å; M513-K515 VanDerWaalsContact C-N 3.31Å; M513-K515 PolarHBondContact O-N 3.07Å; M513-I516 HydrophobicContact CE-CD1 4.41Å; M513-I516 PolarHBondContact O-N 2.9Å; M513-R517 VanDerWaalsContact O-CB 3.31Å; M513-R517 WeakPolarHBondContact O-CB 3.3Å; M513-R517 PolarHBondContact O-N 3.45Å; M513-L536 HydrophobicContact CE-CD2 3.46Å; M513-L536 VanDerWaalsContact CE-CD2 3.46Å; M513-L536 HydrophobicContact SD-CD1 4.33Å; M513-L536 HydrophobicContact SD-CD2 3.45Å; M513-L536 WeakPolarHBondContact SD-CD2 3.49Å |
| 514 | T | 91.8 | Very high | 92.5 | Very high | 78 Ų | 78 | 62.6 Ų | 62.6 | 48% | 0.479 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.4 | -36.2 | 178.1 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | K510 K511 L512 P518 | K510-T514 WeakPolarHBondContact O-CB 3.4Å; K510-T514 PolarHBondContact O-N 3.43Å; K510-T514 PolarHBondContact O-OG1 2.98Å; K511-T514 PolarHBondContact O-N 2.84Å; K511-T514 VanDerWaalsContact O-N 3.15Å; L512-T514 VanDerWaalsContact C-N 3.27Å; L512-T514 PolarHBondContact O-N 3.39Å; T514-P518 VanDerWaalsContact O-CD 3.31Å; T514-P518 WeakPolarHBondContact O-CD 3.29Å |
| 515 | K | 91.4 | Very high | 92.4 | Very high | 75 Ų | 75 | 70.8 Ų | 70.8 | 33% | 0.326 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -79.3 | -29.7 | 175.6 | -69 | -69 | -171 | 170.4 | 0 | 113.4 | C477 D481 L484 K511 L512 M513 H519 | C477-K515 WeakPolarHBondContact O-CE 3.22Å; D481-K515 IonicContact OD1-NZ 3.9Å; D481-K515 PolarHBondContact OD1-NZ 3.19Å; L484-K515 HydrophobicContact CD2-CB 3.63Å; K511-K515 PolarHBondContact O-N 3.04Å; K511-K515 VanDerWaalsContact O-N 3.15Å; L512-K515 PolarHBondContact O-N 3.36Å; L512-K515 VanDerWaalsContact O-N 3.1Å; M513-K515 VanDerWaalsContact C-N 3.31Å; M513-K515 PolarHBondContact O-N 3.07Å; K515-H519 PolarHBondContact O-CD2 3.13Å |
| 516 | I | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -78.2 | -38.6 | 179.6 | -61.2 | 165.3 | 0 | 0 | 0 | 111.9 | L484 M488 V497 I501 L512 M513 P518 H519 M520 L523 I532 L536 | L484-I516 HydrophobicContact CD2-CD1 4.45Å; L484-I516 HydrophobicContact CD2-CG1 3.79Å; M488-I516 HydrophobicContact CE-CG1 4.3Å; M488-I516 HydrophobicContact CE-CG2 4.43Å; M488-I516 HydrophobicContact SD-CB 4.16Å; M488-I516 HydrophobicContact SD-CD1 4.42Å; M488-I516 HydrophobicContact SD-CG1 3.7Å; M488-I516 HydrophobicContact SD-CG2 3.68Å; V497-I516 HydrophobicContact CG1-CD1 4.45Å; I501-I516 HydrophobicContact CD1-CD1 4.06Å; L512-I516 HydrophobicContact CB-CD1 4.42Å; L512-I516 VanDerWaalsContact O-CG1 3.23Å; L512-I516 WeakPolarHBondContact O-CG1 3.47Å; L512-I516 PolarHBondContact O-N 2.95Å; M513-I516 HydrophobicContact CE-CD1 4.41Å; M513-I516 PolarHBondContact O-N 2.9Å; I516-P518 VanDerWaalsContact C-CD 3.47Å; I516-H519 PolarHBondContact O-N 3.35Å; I516-M520 HydrophobicContact CG2-CG 4.33Å; I516-M520 PolarHBondContact O-N 2.88Å; I516-L523 HydrophobicContact CG2-CD1 4.25Å; I516-I532 HydrophobicContact CG2-CG2 4.2Å; I516-L536 HydrophobicContact CG2-CD1 3.64Å |
| 517 | R | 91.7 | Very high | 92.6 | Very high | 138 Ų | 138 | 72.6 Ų | 72.6 | 52% | 0.521 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -50.8 | -45.4 | -172.3 | -172.5 | -178.8 | -66.4 | 113.3 | -1.8 | 114.5 | M513 H519 M520 | M513-R517 VanDerWaalsContact O-CB 3.31Å; M513-R517 WeakPolarHBondContact O-CB 3.3Å; M513-R517 PolarHBondContact O-N 3.45Å; R517-H519 PolarHBondContact O-N 2.97Å; R517-H519 VanDerWaalsContact O-N 3.17Å; R517-M520 PolarHBondContact O-N 2.72Å |
| 518 | P | 92.8 | Very high | 92.8 | Very high | 99 Ų | 99 | 72.3 Ų | 72.3 | 64% | 0.643 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -61.6 | -24.3 | 179.2 | -23.5 | 35.3 | 0 | 0 | 0 | 114 | T514 I516 | T514-P518 VanDerWaalsContact O-CD 3.31Å; T514-P518 WeakPolarHBondContact O-CD 3.29Å; I516-P518 VanDerWaalsContact C-CD 3.47Å |
| 519 | H | 91.9 | Very high | 93 | Very high | 52 Ų | 52 | 71.3 Ų | 71.3 | 24% | 0.241 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -96.6 | -8.8 | -175.2 | -58.6 | -58.6 | 0 | 0 | 0 | 113.6 | H485 M488 K515 I516 R517 A521 A522 L523 | H485-H519 AromaticContact CE1-CE1 3.91Å; H485-H519 AromaticContact CE1-ND1 3.81Å; H485-H519 AromaticContact CG-CE1 3.95Å; H485-H519 AromaticContact CG-NE2 3.94Å; H485-H519 AromaticContact ND1-CE1 3.61Å; H485-H519 AromaticContact ND1-ND1 3.9Å; H485-H519 AromaticContact ND1-NE2 3.98Å; H485-H519 AromaticContact NE2-ND1 3.99Å; M488-H519 HydrophobicContact CE-CB 4.25Å; K515-H519 PolarHBondContact O-CD2 3.13Å; I516-H519 PolarHBondContact O-N 3.35Å; R517-H519 PolarHBondContact O-N 2.97Å; R517-H519 VanDerWaalsContact O-N 3.17Å; H519-A521 VanDerWaalsContact C-N 3.32Å; H519-A521 PolarHBondContact O-N 3.44Å; H519-A522 PolarHBondContact O-N 2.99Å; H519-L523 HydrophobicContact CB-CD1 4.19Å; H519-L523 HydrophobicContact CB-CG 4.18Å; H519-L523 WeakPolarHBondContact O-CG 3.47Å; H519-L523 PolarHBondContact O-N 3.31Å |
| 520 | M | 90.9 | Very high | 93.1 | Very high | 48 Ų | 48 | 75.3 Ų | 75.3 | 24% | 0.236 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -54.6 | -42.7 | -173.1 | -74.4 | -161.9 | 75.9 | 0 | 0 | 113.9 | I516 R517 A522 L523 N533 L536 | I516-M520 HydrophobicContact CG2-CG 4.33Å; I516-M520 PolarHBondContact O-N 2.88Å; R517-M520 PolarHBondContact O-N 2.72Å; M520-A522 VanDerWaalsContact C-N 3.33Å; M520-A522 PolarHBondContact O-N 3.38Å; M520-L523 PolarHBondContact O-N 3.47Å; M520-N533 HydrophobicContact CE-CB 4.4Å; M520-N533 PolarHBondContact O-ND2 3.26Å; M520-L536 HydrophobicContact CE-CB 4.29Å; M520-L536 HydrophobicContact CE-CD1 3.98Å; M520-L536 HydrophobicContact SD-CD1 4.11Å |
| 521 | A | 91.8 | Very high | 93.2 | Very high | 63 Ų | 63 | 71.7 Ų | 71.7 | 52% | 0.521 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H519 | H519-A521 VanDerWaalsContact C-N 3.32Å; H519-A521 PolarHBondContact O-N 3.44Å |
| 522 | A | 92.1 | Very high | 93.4 | Very high | 40 Ų | 40 | 68 Ų | 68 | 33% | 0.331 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -74.4 | -36.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | H519 M520 R524 K525 Y526 | H519-A522 PolarHBondContact O-N 2.99Å; M520-A522 VanDerWaalsContact C-N 3.33Å; M520-A522 PolarHBondContact O-N 3.38Å; A522-R524 PolarHBondContact O-N 2.6Å; A522-R524 VanDerWaalsContact O-N 3.14Å; A522-K525 WeakPolarHBondContact O-CB 3.35Å; A522-K525 PolarHBondContact O-N 3.29Å; A522-Y526 HydrophobicContact CB-CE2 4.43Å; A522-Y526 VanDerWaalsContact O-CD2 3.31Å; A522-Y526 WeakPolarHBondContact O-CD2 3.38Å |
| 523 | L | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.3 | -31.1 | -179.1 | -76.3 | 171.9 | 0 | 0 | 0 | 113.2 | M488 K489 I516 H519 M520 K525 Y526 G529 K530 I532 | M488-L523 HydrophobicContact CB-CD2 3.83Å; M488-L523 HydrophobicContact CE-CD1 4.08Å; M488-L523 HydrophobicContact CE-CD2 4.47Å; M488-L523 HydrophobicContact SD-CD1 3.62Å; M488-L523 HydrophobicContact SD-CD2 4.38Å; K489-L523 HydrophobicContact CG-CD2 4.2Å; I516-L523 HydrophobicContact CG2-CD1 4.25Å; H519-L523 HydrophobicContact CB-CD1 4.19Å; H519-L523 HydrophobicContact CB-CG 4.18Å; H519-L523 WeakPolarHBondContact O-CG 3.47Å; H519-L523 PolarHBondContact O-N 3.31Å; M520-L523 PolarHBondContact O-N 3.47Å; L523-K525 PolarHBondContact O-N 3.4Å; L523-K525 VanDerWaalsContact O-N 3.15Å; L523-Y526 PolarHBondContact O-N 3.23Å; L523-Y526 VanDerWaalsContact O-N 3.09Å; L523-G529 CarbonylContact O-C 3.58Å; L523-G529 VanDerWaalsContact O-C 3.27Å; L523-K530 PolarHBondContact O-N 3.18Å; L523-I532 HydrophobicContact CD1-CB 4.46Å; L523-I532 HydrophobicContact CD1-CG2 4.46Å |
| 524 | R | 93.6 | Very high | 93.4 | Very high | 174 Ų | 174 | 69.8 Ų | 69.8 | 66% | 0.657 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -26.7 | 174.8 | -66.3 | -171.3 | -78.7 | -161.8 | -3 | 113.8 | A522 N533 | A522-R524 PolarHBondContact O-N 2.6Å; A522-R524 VanDerWaalsContact O-N 3.14Å; R524-N533 WeakPolarHBondContact CG-ND2 3.46Å |
| 525 | K | 94.3 | Very high | 93.5 | Very high | 190 Ų | 190 | 67.8 Ų | 67.8 | 83% | 0.826 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -15 | -178.4 | -57.9 | -176.4 | 179.6 | -175.5 | 0 | 113 | A522 L523 | A522-K525 WeakPolarHBondContact O-CB 3.35Å; A522-K525 PolarHBondContact O-N 3.29Å; L523-K525 PolarHBondContact O-N 3.4Å; L523-K525 VanDerWaalsContact O-N 3.15Å |
| 526 | Y | 94.9 | Very high | 93.4 | Very high | 97 Ų | 97 | 64.3 Ų | 64.3 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -91.9 | 138.1 | -179.6 | -69.3 | -81.5 | 0 | 0 | 0 | 111 | K489 A522 L523 Y528 G529 K530 | K489-Y526 HydrophobicContact CB-CD1 4.4Å; K489-Y526 HydrophobicContact CD-CD1 3.73Å; K489-Y526 HydrophobicContact CD-CD2 3.89Å; K489-Y526 HydrophobicContact CD-CE1 3.52Å; K489-Y526 HydrophobicContact CD-CE2 3.67Å; K489-Y526 HydrophobicContact CD-CG 3.9Å; K489-Y526 VanDerWaalsContact CD-CZ 3.47Å; K489-Y526 HydrophobicContact CG-CD1 4.05Å; K489-Y526 HydrophobicContact CG-CD2 4.09Å; K489-Y526 HydrophobicContact CG-CE1 4.35Å; K489-Y526 HydrophobicContact CG-CE2 4.37Å; K489-Y526 HydrophobicContact CG-CG 3.9Å; A522-Y526 HydrophobicContact CB-CE2 4.43Å; A522-Y526 VanDerWaalsContact O-CD2 3.31Å; A522-Y526 WeakPolarHBondContact O-CD2 3.38Å; L523-Y526 PolarHBondContact O-N 3.23Å; L523-Y526 VanDerWaalsContact O-N 3.09Å; Y526-Y528 VanDerWaalsContact C-N 3.27Å; Y526-Y528 PolarHBondContact O-N 3.3Å; Y526-G529 PolarHBondContact O-N 3Å; Y526-K530 PolarHBondContact O-N 3.08Å |
| 527 | T | 96.3 | Very high | 93.2 | Very high | 95 Ų | 95 | 69.9 Ų | 69.9 | 58% | 0.583 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -46.3 | -179.1 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | K530 | T527-K530 WeakPolarHBondContact O-CD 3.37Å; T527-K530 WeakPolarHBondContact O-CE 3.29Å |
| 528 | Y | 96.7 | Very high | 92.9 | Very high | 88 Ų | 88 | 70.5 Ų | 70.5 | 35% | 0.345 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -34.3 | -178.8 | -52.1 | -72.6 | 0 | 0 | 0 | 112.8 | K489 D490 Q491 Y526 K530 H531 | K489-Y528 WeakPolarHBondContact O-CD2 3.29Å; D490-Y528 WeakPolarHBondContact O-CB 3.02Å; Q491-Y528 HydrophobicContact CB-CD1 4.17Å; Q491-Y528 HydrophobicContact CB-CD2 4.04Å; Q491-Y528 HydrophobicContact CB-CE1 3.66Å; Q491-Y528 HydrophobicContact CB-CE2 3.53Å; Q491-Y528 HydrophobicContact CB-CG 4.33Å; Y526-Y528 VanDerWaalsContact C-N 3.27Å; Y526-Y528 PolarHBondContact O-N 3.3Å; Y528-K530 PolarHBondContact O-N 2.97Å; Y528-K530 VanDerWaalsContact O-N 3.16Å; Y528-H531 WeakPolarHBondContact O-CB 3.33Å; Y528-H531 PolarHBondContact O-CD2 3.43Å; Y528-H531 PolarHBondContact O-N 3.38Å |
| 529 | G | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.9 | -31.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | M488 L523 Y526 H531 I532 | M488-G529 WeakPolarHBondContact O-CA 3.38Å; M488-G529 PolarHBondContact O-N 2.86Å; L523-G529 CarbonylContact O-C 3.58Å; L523-G529 VanDerWaalsContact O-C 3.27Å; Y526-G529 PolarHBondContact O-N 3Å; G529-H531 PolarHBondContact O-N 3.49Å; G529-H531 VanDerWaalsContact O-N 3.16Å; G529-I532 WeakPolarHBondContact O-CB 3.33Å; G529-I532 PolarHBondContact O-N 3.02Å; G529-I532 VanDerWaalsContact O-N 3.08Å |
| 530 | K | 94.4 | Very high | 91.8 | Very high | 101 Ų | 101 | 70.7 Ų | 70.7 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59 | -27.3 | 176.5 | 71.4 | -169.3 | -175.3 | -170 | 0 | 113.3 | L523 Y526 T527 Y528 I532 N533 A534 | L523-K530 PolarHBondContact O-N 3.18Å; Y526-K530 PolarHBondContact O-N 3.08Å; T527-K530 WeakPolarHBondContact O-CD 3.37Å; T527-K530 WeakPolarHBondContact O-CE 3.29Å; Y528-K530 PolarHBondContact O-N 2.97Å; Y528-K530 VanDerWaalsContact O-N 3.16Å; K530-I532 VanDerWaalsContact C-N 3.34Å; K530-N533 PolarHBondContact O-N 3.19Å; K530-A534 PolarHBondContact O-N 2.93Å; K530-A534 VanDerWaalsContact O-N 3.15Å |
| 531 | H | 95.4 | Very high | 91 | Very high | 79 Ų | 79 | 74.4 Ų | 74.4 | 37% | 0.366 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.7 | -30.6 | 178.5 | -60.8 | -58.2 | 0 | 0 | 0 | 112.5 | Y528 G529 A534 K535 | Y528-H531 WeakPolarHBondContact O-CB 3.33Å; Y528-H531 PolarHBondContact O-CD2 3.43Å; Y528-H531 PolarHBondContact O-N 3.38Å; G529-H531 PolarHBondContact O-N 3.49Å; G529-H531 VanDerWaalsContact O-N 3.16Å; H531-A534 PolarHBondContact O-N 3.32Å; H531-K535 PolarHBondContact O-N 2.81Å |
| 532 | I | 95.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 173.4 | -54.4 | -57.3 | 0 | 0 | 0 | 110.2 | M488 N494 V497 Q498 I516 L523 G529 K530 A534 K535 L536 | M488-I532 HydrophobicContact CB-CG1 4.01Å; M488-I532 HydrophobicContact CG-CD1 4.43Å; M488-I532 HydrophobicContact CG-CG1 3.93Å; M488-I532 HydrophobicContact CG-CG2 4.37Å; M488-I532 HydrophobicContact SD-CG1 4.45Å; M488-I532 HydrophobicContact SD-CG2 3.92Å; N494-I532 HydrophobicContact CB-CD1 4.09Å; N494-I532 WeakPolarHBondContact O-CD1 3.3Å; V497-I532 HydrophobicContact CB-CD1 4.19Å; V497-I532 HydrophobicContact CG1-CD1 4.17Å; Q498-I532 HydrophobicContact CG-CD1 3.67Å; I516-I532 HydrophobicContact CG2-CG2 4.2Å; L523-I532 HydrophobicContact CD1-CB 4.46Å; L523-I532 HydrophobicContact CD1-CG2 4.46Å; G529-I532 WeakPolarHBondContact O-CB 3.33Å; G529-I532 PolarHBondContact O-N 3.02Å; G529-I532 VanDerWaalsContact O-N 3.08Å; K530-I532 VanDerWaalsContact C-N 3.34Å; I532-A534 PolarHBondContact O-N 3.38Å; I532-K535 WeakPolarHBondContact O-CB 3.12Å; I532-K535 PolarHBondContact O-N 3.28Å; I532-K535 VanDerWaalsContact O-N 3.15Å; I532-L536 HydrophobicContact CG2-CD1 4.38Å; I532-L536 HydrophobicContact CG2-CG 4.47Å; I532-L536 WeakPolarHBondContact O-CG 3.28Å; I532-L536 PolarHBondContact O-N 3.36Å |
| 533 | N | 92 | Very high | 89 | Confident | 6 Ų | 6 | 81.6 Ų | 81.6 | 3% | 0.032 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 177.2 | -73.3 | -5.1 | 0 | 0 | 0 | 112 | M520 R524 K530 K535 L536 E537 | M520-N533 HydrophobicContact CE-CB 4.4Å; M520-N533 PolarHBondContact O-ND2 3.26Å; R524-N533 WeakPolarHBondContact CG-ND2 3.46Å; K530-N533 PolarHBondContact O-N 3.19Å; N533-K535 PolarHBondContact O-N 2.94Å; N533-L536 PolarHBondContact O-N 3.04Å; N533-L536 VanDerWaalsContact O-N 3.1Å; N533-E537 WeakPolarHBondContact O-CG 3.37Å; N533-E537 PolarHBondContact O-N 2.94Å |
| 534 | A | 92.9 | Very high | 87.3 | Confident | 42 Ų | 42 | 86.5 Ų | 86.5 | 35% | 0.347 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.7 | -34.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K530 H531 I532 K538 | K530-A534 PolarHBondContact O-N 2.93Å; K530-A534 VanDerWaalsContact O-N 3.15Å; H531-A534 PolarHBondContact O-N 3.32Å; I532-A534 PolarHBondContact O-N 3.38Å; A534-K538 WeakPolarHBondContact O-CG 3.42Å; A534-K538 PolarHBondContact O-N 3.43Å |
| 535 | K | 92.8 | Very high | 85.4 | Confident | 37 Ų | 37 | 83.2 Ų | 83.2 | 16% | 0.161 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.8 | -44.1 | 173.5 | -175.3 | 168.1 | -170.8 | 149.2 | 0 | 112 | Q498 D502 H531 I532 N533 K538 Y539 | Q498-K535 HydrophobicContact CB-CD 3.52Å; Q498-K535 HydrophobicContact CG-CB 4.48Å; Q498-K535 HydrophobicContact CG-CD 3.46Å; Q498-K535 VanDerWaalsContact CG-CD 3.46Å; Q498-K535 VanDerWaalsContact O-CE 3.28Å; Q498-K535 WeakPolarHBondContact O-CE 3.33Å; Q498-K535 PolarHBondContact O-NZ 2.88Å; D502-K535 WeakPolarHBondContact OD1-CE 3.49Å; D502-K535 IonicContact OD1-NZ 3.57Å; D502-K535 PolarHBondContact OD1-NZ 3.48Å; D502-K535 IonicContact OD2-NZ 3.52Å; D502-K535 PolarHBondContact OD2-NZ 3.37Å; H531-K535 PolarHBondContact O-N 2.81Å; I532-K535 WeakPolarHBondContact O-CB 3.12Å; I532-K535 PolarHBondContact O-N 3.28Å; I532-K535 VanDerWaalsContact O-N 3.15Å; N533-K535 PolarHBondContact O-N 2.94Å; K535-K538 PolarHBondContact O-N 3.48Å; K535-Y539 WeakPolarHBondContact O-CB 3.44Å; K535-Y539 PolarHBondContact O-N 3.07Å |
| 536 | L | 89.4 | Confident | 83.2 | Confident | 2 Ų | 2 | 79.3 Ų | 79.3 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 178.8 | -68.1 | -175.4 | 0 | 0 | 0 | 112.5 | I501 M513 I516 M520 I532 N533 K538 Y539 Y540 | I501-L536 HydrophobicContact CD1-CD2 3.95Å; M513-L536 HydrophobicContact CE-CD2 3.46Å; M513-L536 VanDerWaalsContact CE-CD2 3.46Å; M513-L536 HydrophobicContact SD-CD1 4.33Å; M513-L536 HydrophobicContact SD-CD2 3.45Å; M513-L536 WeakPolarHBondContact SD-CD2 3.49Å; I516-L536 HydrophobicContact CG2-CD1 3.64Å; M520-L536 HydrophobicContact CE-CB 4.29Å; M520-L536 HydrophobicContact CE-CD1 3.98Å; M520-L536 HydrophobicContact SD-CD1 4.11Å; I532-L536 HydrophobicContact CG2-CD1 4.38Å; I532-L536 HydrophobicContact CG2-CG 4.47Å; I532-L536 WeakPolarHBondContact O-CG 3.28Å; I532-L536 PolarHBondContact O-N 3.36Å; N533-L536 PolarHBondContact O-N 3.04Å; N533-L536 VanDerWaalsContact O-N 3.1Å; L536-K538 VanDerWaalsContact C-N 3.32Å; L536-K538 PolarHBondContact O-N 2.85Å; L536-Y539 WeakPolarHBondContact O-CB 3.25Å; L536-Y539 PolarHBondContact O-N 3.35Å; L536-Y539 VanDerWaalsContact O-N 3.09Å; L536-Y540 HydrophobicContact CB-CD2 4.44Å; L536-Y540 HydrophobicContact CB-CE2 4.3Å; L536-Y540 WeakPolarHBondContact O-CD2 3.43Å; L536-Y540 PolarHBondContact O-N 3.31Å |
| 537 | E | 88.3 | Confident | 81 | Confident | 117 Ų | 117 | 81.1 Ų | 81.1 | 55% | 0.547 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.1 | -46.4 | 174.2 | -73.9 | 169.8 | -171.1 | 0 | 0 | 111 | N533 Y539 Y540 M541 | N533-E537 WeakPolarHBondContact O-CG 3.37Å; N533-E537 PolarHBondContact O-N 2.94Å; E537-Y539 VanDerWaalsContact C-N 3.32Å; E537-Y539 PolarHBondContact O-N 3.28Å; E537-Y540 PolarHBondContact O-N 3.47Å; E537-M541 WeakPolarHBondContact O-CB 3.37Å; E537-M541 WeakPolarHBondContact O-CG 3.37Å; E537-M541 PolarHBondContact O-N 2.93Å |
| 538 | K | 86.1 | Confident | 78.5 | Confident | 150 Ų | 150 | 83.7 Ų | 83.7 | 65% | 0.652 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.2 | -37.9 | 174 | -70.3 | 177.1 | -178.4 | -179.4 | 0 | 112.6 | A534 K535 L536 K542 | A534-K538 WeakPolarHBondContact O-CG 3.42Å; A534-K538 PolarHBondContact O-N 3.43Å; K535-K538 PolarHBondContact O-N 3.48Å; L536-K538 VanDerWaalsContact C-N 3.32Å; L536-K538 PolarHBondContact O-N 2.85Å; K538-K542 WeakPolarHBondContact O-CG 3.37Å; K538-K542 PolarHBondContact O-N 3.35Å |
| 539 | Y | 81.4 | Confident | 75.6 | Confident | 67 Ų | 67 | 85.5 Ų | 85.5 | 26% | 0.263 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.1 | -46.9 | 178.7 | -172.9 | -102.8 | 0 | 0 | 0 | 111.5 | L509 K535 L536 E537 K542 I543 | L509-Y539 HydrophobicContact CD2-CE1 3.73Å; L509-Y539 VanDerWaalsContact CD2-CZ 3.49Å; L509-Y539 WeakPolarHBondContact CD2-OH 3.17Å; K535-Y539 WeakPolarHBondContact O-CB 3.44Å; K535-Y539 PolarHBondContact O-N 3.07Å; L536-Y539 WeakPolarHBondContact O-CB 3.25Å; L536-Y539 PolarHBondContact O-N 3.35Å; L536-Y539 VanDerWaalsContact O-N 3.09Å; E537-Y539 VanDerWaalsContact C-N 3.32Å; E537-Y539 PolarHBondContact O-N 3.28Å; Y539-K542 PolarHBondContact O-N 3Å; Y539-I543 HydrophobicContact CD1-CD1 3.55Å; Y539-I543 HydrophobicContact CE1-CD1 3.01Å; Y539-I543 HydrophobicContact CE1-CG1 4.18Å; Y539-I543 HydrophobicContact CE2-CD1 4.26Å; Y539-I543 HydrophobicContact CG-CD1 4.33Å; Y539-I543 WeakPolarHBondContact O-CG1 3.34Å; Y539-I543 PolarHBondContact O-N 2.96Å |
| 540 | Y | 79.7 | Confident | 72.5 | Confident | 89 Ų | 89 | 88.8 Ų | 88.8 | 35% | 0.349 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 174.5 | -72.8 | -61 | 0 | 0 | 0 | 111.9 | L536 E537 K542 I543 T544 | L536-Y540 HydrophobicContact CB-CD2 4.44Å; L536-Y540 HydrophobicContact CB-CE2 4.3Å; L536-Y540 WeakPolarHBondContact O-CD2 3.43Å; L536-Y540 PolarHBondContact O-N 3.31Å; E537-Y540 PolarHBondContact O-N 3.47Å; Y540-K542 VanDerWaalsContact C-N 3.26Å; Y540-K542 PolarHBondContact O-N 3.24Å; Y540-I543 PolarHBondContact O-N 2.77Å; Y540-I543 VanDerWaalsContact O-N 3.12Å; Y540-T544 WeakPolarHBondContact O-CB 3.46Å; Y540-T544 PolarHBondContact O-N 3.06Å; Y540-T544 PolarHBondContact O-OG1 3.46Å |
| 541 | M | 74.8 | Confident | 69.5 | Low | 125 Ų | 125 | 91 Ų | 91 | 62% | 0.616 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.2 | -37.9 | 174.9 | -68.2 | -111.2 | 86.9 | 0 | 0 | 112.4 | E537 N545 | E537-M541 WeakPolarHBondContact O-CB 3.37Å; E537-M541 WeakPolarHBondContact O-CG 3.37Å; E537-M541 PolarHBondContact O-N 2.93Å; M541-N545 WeakPolarHBondContact O-CB 3.45Å; M541-N545 PolarHBondContact O-N 2.93Å |
| 542 | K | 73.7 | Confident | 66.6 | Low | 167 Ų | 167 | 91.2 Ų | 91.2 | 73% | 0.726 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.6 | -36 | 175.3 | -80.2 | -177.9 | 176.3 | -174.4 | 0 | 113.3 | K538 Y539 Y540 N545 | K538-K542 WeakPolarHBondContact O-CG 3.37Å; K538-K542 PolarHBondContact O-N 3.35Å; Y539-K542 PolarHBondContact O-N 3Å; Y540-K542 VanDerWaalsContact C-N 3.26Å; Y540-K542 PolarHBondContact O-N 3.24Å; K542-N545 CarbonylContact O-C 3.49Å |
| 543 | I | 68 | Low | 63.7 | Low | 88 Ų | 88 | 95.9 Ų | 95.9 | 45% | 0.451 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -77.6 | -35.9 | 177.9 | -65.9 | 164.1 | 0 | 0 | 0 | 112 | Y539 Y540 N545 P546 | Y539-I543 HydrophobicContact CD1-CD1 3.55Å; Y539-I543 HydrophobicContact CE1-CD1 3.01Å; Y539-I543 HydrophobicContact CE1-CG1 4.18Å; Y539-I543 HydrophobicContact CE2-CD1 4.26Å; Y539-I543 HydrophobicContact CG-CD1 4.33Å; Y539-I543 WeakPolarHBondContact O-CG1 3.34Å; Y539-I543 PolarHBondContact O-N 2.96Å; Y540-I543 PolarHBondContact O-N 2.77Å; Y540-I543 VanDerWaalsContact O-N 3.12Å; I543-N545 VanDerWaalsContact C-N 3.3Å; I543-P546 WeakPolarHBondContact O-CD 3.26Å |
| 544 | T | 58.5 | Low | 60.7 | Low | 102 Ų | 102 | 99.7 Ų | 99.7 | 63% | 0.626 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -76.8 | -19.3 | -179.5 | -49 | 0 | 0 | 0 | 0 | 112 | Y540 P546 | Y540-T544 WeakPolarHBondContact O-CB 3.46Å; Y540-T544 PolarHBondContact O-N 3.06Å; Y540-T544 PolarHBondContact O-OG1 3.46Å; T544-P546 VanDerWaalsContact C-CD 3.47Å; T544-P546 WeakPolarHBondContact O-CD 3.44Å |
| 545 | N | 53.7 | Low | 57.7 | Low | 106 Ų | 106 | 101.4 Ų | 101.4 | 57% | 0.567 | 62% | 0.62 | S | S | * | * | trans | -120.9 | 68.1 | 172.7 | -67.7 | -21.1 | 0 | 0 | 0 | 113 | M541 K542 I543 I547 | M541-N545 WeakPolarHBondContact O-CB 3.45Å; M541-N545 PolarHBondContact O-N 2.93Å; K542-N545 CarbonylContact O-C 3.49Å; I543-N545 VanDerWaalsContact C-N 3.3Å; N545-I547 PolarHBondContact O-N 2.75Å | ||
| 546 | P | 48.2 | Very low | 54.8 | Low | 107 Ų | 107 | 106.5 Ų | 106.5 | 70% | 0.695 | 65% | 0.654 | S | S | * | * | trans | -74.9 | 108.7 | 159.7 | 26.8 | -15.5 | 0 | 0 | 0 | 107 | I543 T544 T548 | I543-P546 WeakPolarHBondContact O-CD 3.26Å; T544-P546 VanDerWaalsContact C-CD 3.47Å; T544-P546 WeakPolarHBondContact O-CD 3.44Å; P546-T548 PolarHBondContact O-N 3.11Å | ||
| 547 | I | 47 | Very low | 52.7 | Low | 136 Ų | 136 | 112.1 Ų | 112.1 | 70% | 0.697 | 69% | 0.69 | S | S | * | * | trans | -55.3 | 131.8 | -165.8 | -54.8 | 177.7 | 0 | 0 | 0 | 112.9 | N545 V549 | N545-I547 PolarHBondContact O-N 2.75Å; I547-V549 VanDerWaalsContact C-N 3.32Å; I547-V549 HydrophobicContact CB-CG2 3.92Å; I547-V549 HydrophobicContact CG2-CG2 3.31Å; I547-V549 PolarHBondContact O-N 3.47Å | ||
| 548 | T | 44 | Very low | 49.9 | Very low | 148 Ų | 148 | 111.6 Ų | 111.6 | 91% | 0.908 | 71% | 0.706 | S | S | * | * | trans | -51.3 | 89.4 | 148.2 | 4.1 | 0 | 0 | 0 | 0 | 110.1 | P546 | P546-T548 PolarHBondContact O-N 3.11Š| ||
| 549 | V | 36 | Very low | 47.2 | Very low | 127 Ų | 127 | 108.2 Ų | 108.2 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | trans | -119.7 | 114.8 | 165.2 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | I547 | I547-V549 VanDerWaalsContact C-N 3.32Å; I547-V549 HydrophobicContact CB-CG2 3.92Å; I547-V549 HydrophobicContact CG2-CG2 3.31Å; I547-V549 PolarHBondContact O-N 3.47Å | ||
| 550 | G | 31.1 | Very low | 44.9 | Very low | 69 Ų | 69 | 110.3 Ų | 110.3 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | 109.3 | 62.1 | 143 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 551 | T | 31.5 | Very low | 42.5 | Very low | 146 Ų | 146 | 111.1 Ų | 111.1 | 90% | 0.896 | 75% | 0.749 | S | S | * | * | trans | -129 | 109.4 | 141.2 | 45 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 552 | G | 34.4 | Very low | 40.4 | Very low | 85 Ų | 85 | 110 Ų | 110 | 88% | 0.876 | 76% | 0.76 | S | S | * | * | trans | -73.7 | 128.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 553 | A | 33.9 | Very low | 38.4 | Very low | 98 Ų | 98 | 106.5 Ų | 106.5 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | trans | -159.7 | 116.3 | 149.2 | 0 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 554 | G | 29.9 | Very low | 36.6 | Very low | 85 Ų | 85 | 106.7 Ų | 106.7 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | 83.2 | 84.1 | 56 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 555 | G | 29.2 | Very low | 35.3 | Very low | 78 Ų | 78 | 108.3 Ų | 108.3 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 169.6 | 101.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 556 | V | 32.4 | Very low | 34.3 | Very low | 145 Ų | 145 | 107.6 Ų | 107.6 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -72 | 174.3 | -174 | -116.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 557 | P | 44 | Very low | 33.5 | Very low | 119 Ų | 119 | 108 Ų | 108 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -105.6 | 163.2 | -141.4 | 28.4 | -7 | 0 | 0 | 0 | 113.4 | ||||
| 558 | A | 29.6 | Very low | 32.7 | Very low | 107 Ų | 107 | 105.3 Ų | 105.3 | 88% | 0.884 | 80% | 0.801 | S | S | * | * | trans | -118.5 | 113.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 559 | A | 30.8 | Very low | 32.1 | Very low | 79 Ų | 79 | 102.4 Ų | 102.4 | 65% | 0.653 | 79% | 0.792 | S | S | * | * | trans | -82.5 | 159.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 560 | S | 31.5 | Very low | 31.9 | Very low | 111 Ų | 111 | 102.8 Ų | 102.8 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | 66.7 | 141.8 | 149.6 | 23.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 561 | S | 30.6 | Very low | 31.9 | Very low | 106 Ų | 106 | 104.3 Ų | 104.3 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | cis | -179.5 | 156.3 | 21.1 | 33.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 562 | A | 30.7 | Very low | 32 | Very low | 102 Ų | 102 | 102.2 Ų | 102.2 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | 66.5 | 147.2 | 150.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 563 | A | 30.3 | Very low | 31.9 | Very low | 93 Ų | 93 | 102.7 Ų | 102.7 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | cis | -163.7 | 173.6 | -14.4 | 0 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 564 | A | 30.8 | Very low | 31.8 | Very low | 91 Ų | 91 | 104 Ų | 104 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -34.9 | 148.8 | 167 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 565 | V | 31.4 | Very low | 31.8 | Very low | 136 Ų | 136 | 106.2 Ų | 106.2 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | -154.6 | 156 | 84 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 566 | S | 31.9 | Very low | 31.9 | Very low | 91 Ų | 91 | 106 Ų | 106 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | -55.7 | 172.2 | -175 | 56.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 567 | S | 32.8 | Very low | 31.7 | Very low | 115 Ų | 115 | 104.2 Ų | 104.2 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 82.3 | 131.7 | 133.6 | 46.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 568 | G | 29 | Very low | 31.1 | Very low | 80 Ų | 80 | 104.4 Ų | 104.4 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | 151.8 | 80.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 569 | A | 31.2 | Very low | 31.2 | Very low | 88 Ų | 88 | 105 Ų | 105 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -69.1 | 175.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 570 | T | 32.4 | Very low | 31.1 | Very low | 135 Ų | 135 | 105 Ų | 105 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | trans | 86.9 | 145.3 | 163.3 | 72 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 571 | S | 32.5 | Very low | 31.2 | Very low | 101 Ų | 101 | 105.3 Ų | 105.3 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | cis | 177.9 | 137.9 | -18.2 | -87.7 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 572 | A | 32.5 | Very low | 31.4 | Very low | 102 Ų | 102 | 105.2 Ų | 105.2 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | 61.4 | 164.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 573 | S | 32.4 | Very low | 31.5 | Very low | 94 Ų | 94 | 106.6 Ų | 106.6 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | cis | -166.6 | 139.5 | 5.7 | 113.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 574 | V | 31.5 | Very low | 31.5 | Very low | 126 Ų | 126 | 107.4 Ų | 107.4 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | 53.1 | 135.9 | 130 | -158.5 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 575 | T | 31.3 | Very low | 31.5 | Very low | 132 Ų | 132 | 108.6 Ų | 108.6 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | 133.4 | 144.6 | 140.2 | -55.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 576 | A | 31.2 | Very low | 31.4 | Very low | 74 Ų | 74 | 108 Ų | 108 | 61% | 0.612 | 75% | 0.754 | S | S | * | * | cis | -164.6 | 142.9 | -36.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 577 | C | 27.1 | Very low | 31.4 | Very low | 106 Ų | 106 | 108.4 Ų | 108.4 | 72% | 0.716 | 76% | 0.757 | S | S | * | * | trans | 47.8 | 142.3 | 138.5 | 75 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 578 | T | 31.6 | Very low | 31.4 | Very low | 124 Ų | 124 | 108.8 Ų | 108.8 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | trans | 83.9 | 114.9 | 144.7 | 61.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 579 | S | 32.4 | Very low | 31.7 | Very low | 119 Ų | 119 | 110.5 Ų | 110.5 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | 159.9 | 139.7 | 99 | -70.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 580 | G | 28.6 | Very low | 31.8 | Very low | 79 Ų | 79 | 113.9 Ų | 113.9 | 81% | 0.814 | 76% | 0.755 | S | S | * | * | trans | 104.6 | 100 | 135.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 581 | S | 33.9 | Very low | 31.9 | Very low | 118 Ų | 118 | 112 Ų | 112 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | -81.2 | 151.4 | 147.6 | -61.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 582 | S | 34 | Very low | 31.8 | Very low | 104 Ų | 104 | 115.3 Ų | 115.3 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | 172.3 | 165.2 | 78.3 | -51.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 583 | T | 32.3 | Very low | 31.7 | Very low | 131 Ų | 131 | 114.7 Ų | 114.7 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | 78.8 | 140.2 | 152 | 18.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 584 | T | 30.1 | Very low | 31.6 | Very low | 109 Ų | 109 | 115.7 Ų | 115.7 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | cis | -167.2 | 154.5 | 6.1 | -30.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 585 | T | 30.5 | Very low | 32.4 | Very low | 117 Ų | 117 | 115.9 Ų | 115.9 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | trans | 32.7 | 146.6 | 144.5 | 50.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 586 | T | 29.3 | Very low | 32.4 | Very low | 124 Ų | 124 | 115.6 Ų | 115.6 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | -178.4 | 146.5 | 64 | -18.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 587 | S | 33.8 | Very low | 32.4 | Very low | 98 Ų | 98 | 119.1 Ų | 119.1 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | 8.8 | 149.2 | 149.3 | -37.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 588 | T | 31.7 | Very low | 32.3 | Very low | 123 Ų | 123 | 119.4 Ų | 119.4 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | -178.6 | 142 | 67.7 | 17 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 589 | T | 35.6 | Very low | 32.3 | Very low | 117 Ų | 117 | 118.9 Ų | 118.9 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | trans | 47.8 | 133.4 | 138.8 | 64.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 590 | N | 32.8 | Very low | 32 | Very low | 159 Ų | 159 | 118.5 Ų | 118.5 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | -163.4 | 163.4 | 70.1 | -107.4 | -20.4 | 0 | 0 | 0 | 114.1 | |||||
| 591 | S | 34.2 | Very low | 32 | Very low | 96 Ų | 96 | 122.2 Ų | 122.2 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | -117.1 | 177.3 | -155.3 | 36.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 592 | L | 30.8 | Very low | 31.8 | Very low | 170 Ų | 170 | 123.2 Ų | 123.2 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | trans | 109.4 | 140.2 | 157 | -61.8 | 155 | 0 | 0 | 0 | 115.3 | ||||
| 593 | A | 30.7 | Very low | 31.6 | Very low | 89 Ų | 89 | 124.9 Ų | 124.9 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | cis | -176.3 | 147.7 | -25 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 594 | S | 31.3 | Very low | 31.4 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | -79.9 | 176.1 | 168.7 | -50.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 595 | P | 46.8 | Very low | 31.4 | Very low | 131 Ų | 131 | 122.2 Ų | 122.2 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | -155.3 | -158.1 | 79 | 40.1 | -16.4 | 0 | 0 | 0 | 116.1 | |||||
| 596 | T | 31.4 | Very low | 31.4 | Very low | 125 Ų | 125 | 120.8 Ų | 120.8 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | trans | -119.5 | 167 | -145.8 | -41.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 597 | I | 31.1 | Very low | 31.4 | Very low | 148 Ų | 148 | 122.5 Ų | 122.5 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | 100.3 | 118.4 | 147.3 | -55.4 | -169.7 | 0 | 0 | 0 | 121.7 | ||||
| 598 | C | 26.5 | Very low | 31.2 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | 26.2 | 155.8 | 141.1 | -61.9 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 599 | S | 29.6 | Very low | 31.1 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | 99.2 | 144.9 | 152.4 | 68.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 600 | V | 27.3 | Very low | 31.1 | Very low | 110 Ų | 110 | 127 Ų | 127 | 67% | 0.667 | 76% | 0.759 | S | S | * | * | cis | -180 | 155.5 | -16.1 | 150.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 601 | Q | 28 | Very low | 31.7 | Very low | 158 Ų | 158 | 124.4 Ų | 124.4 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | 67.6 | 151.7 | 159.5 | -81.2 | 166.5 | -75.3 | 0 | 0 | 118.9 | ||||
| 602 | E | 29.3 | Very low | 31.6 | Very low | 139 Ų | 139 | 124.6 Ų | 124.6 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | cis | -166.2 | 158.4 | 12.8 | -135.6 | 171.5 | -159.3 | 0 | 0 | 113.8 | ||||
| 603 | N | 30.7 | Very low | 31.9 | Very low | 138 Ų | 138 | 122.2 Ų | 122.2 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | 79 | 117.6 | 137.2 | -85.1 | -20.2 | 0 | 0 | 0 | 126.1 | ||||
| 604 | G | 28.6 | Very low | 32.8 | Very low | 69 Ų | 69 | 123.4 Ų | 123.4 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | 105.1 | 138.9 | 115.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 605 | S | 30.1 | Very low | 32.7 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | cis | -175.2 | 162.2 | 1.1 | -84.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 606 | A | 29.2 | Very low | 32 | Very low | 87 Ų | 87 | 123.1 Ų | 123.1 | 72% | 0.719 | 74% | 0.744 | S | S | * | * | trans | 74.5 | 140.9 | 149.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 607 | M | 29.4 | Very low | 32.1 | Very low | 160 Ų | 160 | 122.2 Ų | 122.2 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | cis | -170.6 | 143.7 | 5.6 | -106.9 | -172.8 | -154.7 | 0 | 0 | 109.5 | ||||
| 608 | I | 29.6 | Very low | 32.1 | Very low | 138 Ų | 138 | 123.5 Ų | 123.5 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | trans | 50.6 | 128.2 | 130 | -36.1 | 167.2 | 0 | 0 | 0 | 117.5 | ||||
| 609 | V | 30.2 | Very low | 32.4 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | 177 | 127.4 | 85.2 | 166.6 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 610 | E | 35.1 | Very low | 32.6 | Very low | 173 Ų | 173 | 122.6 Ų | 122.6 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | trans | -78.3 | 150.2 | 150.1 | -120.7 | -170.4 | 174.3 | 0 | 0 | 109.1 | ||||
| 611 | P | 45 | Very low | 32.9 | Very low | 105 Ų | 105 | 122.7 Ų | 122.7 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | -146.3 | 141 | 110.2 | 25 | -3.5 | 0 | 0 | 0 | 113.2 | |||||
| 612 | S | 32.9 | Very low | 33.2 | Very low | 99 Ų | 99 | 120.2 Ų | 120.2 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | 59.7 | 117.2 | 87.2 | -35.1 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 613 | S | 37.8 | Very low | 33.4 | Very low | 120 Ų | 120 | 119.4 Ų | 119.4 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | trans | -59.5 | 155.3 | 154 | -50.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 614 | P | 48.5 | Very low | 33.6 | Very low | 115 Ų | 115 | 119.2 Ų | 119.2 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | -152.9 | 160.4 | 105.2 | 37.9 | -19.2 | 0 | 0 | 0 | 116.8 | |||||
| 615 | D | 30.6 | Very low | 34 | Very low | 158 Ų | 158 | 121.1 Ų | 121.1 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | 49.6 | 126.1 | 140.1 | -85.9 | -26.5 | 0 | 0 | 0 | 126.1 | ||||
| 616 | A | 31.8 | Very low | 34.1 | Very low | 80 Ų | 80 | 118.9 Ų | 118.9 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | 86.4 | 137.5 | 116.2 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 617 | S | 32.1 | Very low | 34.4 | Very low | 107 Ų | 107 | 119 Ų | 119 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | 77.8 | 141.1 | 147.8 | 75.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 618 | E | 31.4 | Very low | 34.8 | Very low | 174 Ų | 174 | 117.7 Ų | 117.7 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | cis | -172.4 | 154.2 | 4.3 | -123 | 176.7 | -176.7 | 0 | 0 | 109.7 | ||||
| 619 | S | 32.9 | Very low | 35.1 | Very low | 108 Ų | 108 | 118.8 Ų | 118.8 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | 77.1 | 136.4 | 145 | 85.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 620 | S | 34 | Very low | 35.5 | Very low | 99 Ų | 99 | 118.1 Ų | 118.1 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | cis | -161.7 | 145.7 | 18.4 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 621 | S | 34.3 | Very low | 35.5 | Very low | 112 Ų | 112 | 113.1 Ų | 113.1 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | trans | 52.6 | 134.5 | 140.5 | 62.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 622 | S | 33.7 | Very low | 35.1 | Very low | 106 Ų | 106 | 116.9 Ų | 116.9 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | cis | -159.4 | 124.6 | 33.4 | 47.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 623 | V | 33.4 | Very low | 35.2 | Very low | 123 Ų | 123 | 115.6 Ų | 115.6 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | 53.9 | 106.9 | 97.5 | -170.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 624 | V | 36 | Very low | 36.3 | Very low | 133 Ų | 133 | 115.8 Ų | 115.8 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | -164.8 | 101.1 | 108.3 | -178.8 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 625 | S | 36.7 | Very low | 35.9 | Very low | 110 Ų | 110 | 118.7 Ų | 118.7 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | 50 | 128.3 | 97.4 | -56 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 626 | G | 31.5 | Very low | 36.1 | Very low | 69 Ų | 69 | 114.2 Ų | 114.2 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | cis | -162.8 | 147.6 | 3.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 627 | A | 36.4 | Very low | 37.4 | Very low | 89 Ų | 89 | 116.3 Ų | 116.3 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | 90.2 | 90.3 | 101.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 628 | V | 36 | Very low | 38.2 | Very low | 133 Ų | 133 | 116.7 Ų | 116.7 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | 67.7 | 117.7 | 96.7 | -69 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 629 | N | 36.3 | Very low | 38.6 | Very low | 160 Ų | 160 | 113.9 Ų | 113.9 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | -163.5 | 142.2 | 94 | -142 | 2.5 | 0 | 0 | 0 | 112.2 | |||||
| 630 | S | 38.5 | Very low | 38.7 | Very low | 107 Ų | 107 | 116.4 Ų | 116.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -92.2 | 142.2 | -174.9 | -46.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 631 | G | 35.4 | Very low | 38.7 | Very low | 68 Ų | 68 | 114.9 Ų | 114.9 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | 59.5 | 122.1 | 133.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 632 | L | 36.9 | Very low | 39 | Very low | 185 Ų | 185 | 117 Ų | 117 | 97% | 0.969 | 78% | 0.779 | S | S | * | * | 162.7 | 130.4 | 118.1 | -83.7 | 159.4 | 0 | 0 | 0 | 108.6 | |||||
| 633 | G | 35.7 | Very low | 39.3 | Very low | 72 Ų | 72 | 117.9 Ų | 117.9 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | -77.6 | -139.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 634 | P | 61 | Low | 39.8 | Very low | 124 Ų | 124 | 118 Ų | 118 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | -123.8 | 142.1 | -58.1 | 35 | -23.1 | 0 | 0 | 0 | 110.5 | |||||
| 635 | I | 38.5 | Very low | 40.3 | Very low | 176 Ų | 176 | 122.9 Ų | 122.9 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | trans | -143.7 | 130.1 | 164.7 | -56.1 | -177.9 | 0 | 0 | 0 | 109.7 | ||||
| 636 | G | 36.4 | Very low | 40.5 | Very low | 64 Ų | 64 | 123.5 Ų | 123.5 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | trans | -73.8 | -168.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 637 | P | 57.2 | Low | 41 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -96.3 | 178.8 | -141.7 | 40.2 | -37.8 | 0 | 0 | 0 | 113.4 | ||||
| 638 | P | 50.2 | Low | 41.2 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | -149.8 | 142.8 | 98.9 | 37.3 | -18.8 | 0 | 0 | 0 | 116.7 | |||||
| 639 | T | 39.4 | Very low | 41.5 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 71% | 0.712 | 81% | 0.81 | S | S | * | * | trans | 39.6 | 146.2 | 133.1 | 64 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 640 | N | 35.3 | Very low | 41.9 | Very low | 160 Ų | 160 | 126.2 Ų | 126.2 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | 84.5 | 124.8 | 159.2 | -60.1 | -12.7 | 0 | 0 | 0 | 114.8 | ||||
| 641 | G | 34.2 | Very low | 42.1 | Very low | 68 Ų | 68 | 127.5 Ų | 127.5 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | cis | 114 | 92.7 | 27.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 642 | N | 39.7 | Very low | 42.6 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | trans | 178.4 | 111.7 | 157.1 | -99.4 | -6.8 | 0 | 0 | 0 | 106 | ||||
| 643 | V | 40.3 | Very low | 43 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 75% | 0.745 | 81% | 0.808 | S | S | * | * | 71.9 | 123.5 | 56.7 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 644 | V | 44.3 | Very low | 43.6 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 76% | 0.758 | 81% | 0.813 | S | S | * | * | trans | 70.8 | 127.3 | 170.9 | -125.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 645 | L | 46.7 | Very low | 42 | Very low | 236 Ų | 236 | 133 Ų | 133 | 100% | 1.236 | 81% | 0.814 | S | S | * | * | cis | -134.2 | 0 | 23.1 | -90.7 | 160.5 | 0 | 0 | 0 | 112.1 |
Retrieved 645 of 645 residues in 371.2 ms
(Link to these results)