| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.9 | Very low | 34.6 | Very low | 227 Ų | 227 | 179.8 Ų | 179.8 | 100% | 1.118 | 90% | 0.9 | S | S | * | * | 0 | 161.1 | 0 | -77.3 | -175.8 | 177.3 | 0 | 0 | 109 | |||||
| 2 | F | 34.3 | Very low | 34.2 | Very low | 218 Ų | 218 | 171 Ų | 171 | 96% | 0.956 | 89% | 0.888 | S | S | * | * | trans | 68.1 | 128.2 | -168.7 | -49.9 | -77 | 0 | 0 | 0 | 114 | ||||
| 3 | G | 32.5 | Very low | 33.8 | Very low | 77 Ų | 77 | 163.5 Ų | 163.5 | 79% | 0.794 | 88% | 0.878 | S | S | * | * | cis | 149.9 | 67.5 | -3.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 4 | A | 33.2 | Very low | 33.8 | Very low | 104 Ų | 104 | 163.9 Ų | 163.9 | 86% | 0.86 | 88% | 0.877 | S | S | * | * | trans | -87 | 126 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 5 | T | 37.4 | Very low | 33.6 | Very low | 143 Ų | 143 | 164.5 Ų | 164.5 | 88% | 0.877 | 87% | 0.873 | S | S | * | * | trans | -96.2 | 96.2 | 173.6 | 36.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 6 | R | 34.6 | Very low | 33.4 | Very low | 244 Ų | 244 | 161.4 Ų | 161.4 | 92% | 0.921 | 87% | 0.868 | S | S | * | * | trans | -75.1 | 132 | 162.2 | -92.6 | -178.5 | 173.2 | 168.5 | -1.2 | 109.8 | ||||
| 7 | K | 36.5 | Very low | 33.2 | Very low | 194 Ų | 194 | 160.9 Ų | 160.9 | 84% | 0.843 | 86% | 0.859 | S | S | * | * | trans | -119.6 | 111.9 | 154.5 | -82.9 | -173.7 | 173.8 | -179.6 | 0 | 109.3 | ||||
| 8 | K | 34.4 | Very low | 33.2 | Very low | 197 Ų | 197 | 163.2 Ų | 163.2 | 86% | 0.857 | 86% | 0.855 | S | S | * | * | trans | -81.9 | 147.1 | 150.8 | -77.1 | -175 | 171 | -172.2 | 0 | 107.1 | ||||
| 9 | F | 28.8 | Very low | 33.2 | Very low | 199 Ų | 199 | 159.6 Ų | 159.6 | 87% | 0.873 | 85% | 0.852 | S | S | * | * | trans | -124 | 154 | 156.1 | -116.1 | -89.9 | 0 | 0 | 0 | 109.9 | ||||
| 10 | M | 31.7 | Very low | 33.1 | Very low | 181 Ų | 181 | 157.1 Ų | 157.1 | 89% | 0.892 | 85% | 0.847 | S | S | * | * | trans | -99.4 | 149.4 | -156.3 | -161.1 | 142.7 | 67.7 | 0 | 0 | 111.9 | ||||
| 11 | E | 30.8 | Very low | 33.2 | Very low | 194 Ų | 194 | 157.3 Ų | 157.3 | 91% | 0.907 | 85% | 0.848 | S | S | * | * | trans | -82.2 | 142.6 | 179.3 | -173 | 169.9 | -174.9 | 0 | 0 | 111.2 | ||||
| 12 | G | 30.2 | Very low | 32.6 | Very low | 74 Ų | 74 | 153.5 Ų | 153.5 | 76% | 0.763 | 83% | 0.833 | S | S | * | * | trans | -177.6 | 136.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 13 | G | 28.5 | Very low | 32.5 | Very low | 73 Ų | 73 | 147.8 Ų | 147.8 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | cis | 138.2 | 85.3 | 13.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 14 | I | 34.1 | Very low | 32.5 | Very low | 170 Ų | 170 | 149.2 Ų | 149.2 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | -136.6 | 127.6 | 179.8 | -60.7 | -179 | 0 | 0 | 0 | 107.4 | ||||
| 15 | E | 30.7 | Very low | 32.5 | Very low | 173 Ų | 173 | 151.3 Ų | 151.3 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | trans | -94.6 | 155.1 | -178.4 | -62.3 | 179.6 | 122.9 | 0 | 0 | 112.2 | ||||
| 16 | S | 31.3 | Very low | 32.3 | Very low | 114 Ų | 114 | 154.6 Ų | 154.6 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | 67.6 | 150.1 | 149.5 | 77 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 17 | E | 29.7 | Very low | 32.3 | Very low | 153 Ų | 153 | 153.1 Ų | 153.1 | 72% | 0.715 | 81% | 0.807 | S | S | * | * | cis | -157.7 | 176.5 | 5.1 | -155.3 | -175.3 | 158.2 | 0 | 0 | 109.6 | ||||
| 18 | Y | 33 | Very low | 31.9 | Very low | 202 Ų | 202 | 151.3 Ų | 151.3 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | 99.5 | 126.9 | 162.3 | -78.8 | -84.7 | 0 | 0 | 0 | 122.6 | ||||
| 19 | A | 33.4 | Very low | 31.8 | Very low | 95 Ų | 95 | 149.8 Ų | 149.8 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | 81 | 99.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 20 | S | 31.8 | Very low | 32 | Very low | 109 Ų | 109 | 146.7 Ų | 146.7 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -78.1 | 139.6 | 156.4 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 21 | D | 34.7 | Very low | 32.2 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | 174.8 | 147 | 151.1 | -91.5 | -13.9 | 0 | 0 | 0 | 106.5 | ||||
| 22 | D | 32.5 | Very low | 32.6 | Very low | 148 Ų | 148 | 142 Ų | 142 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | cis | -149.5 | 178.3 | -22.1 | -175.8 | 17.8 | 0 | 0 | 0 | 106.6 | ||||
| 23 | S | 32.8 | Very low | 32.7 | Very low | 97 Ų | 97 | 147.7 Ų | 147.7 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | -80.6 | 175.4 | -165.7 | -55.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 24 | S | 31.9 | Very low | 33.3 | Very low | 107 Ų | 107 | 148.9 Ų | 148.9 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 84.9 | 141.8 | 164.3 | 92.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 25 | L | 34.6 | Very low | 33.9 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | cis | -143.7 | 153.8 | 6.7 | -73.2 | 168.6 | 0 | 0 | 0 | 112.5 | ||||
| 26 | Y | 33.2 | Very low | 34.1 | Very low | 213 Ų | 213 | 148 Ų | 148 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 18.8 | 128.2 | 147.5 | -75.9 | -95.1 | 0 | 0 | 0 | 123 | ||||
| 27 | Y | 34 | Very low | 34.3 | Very low | 212 Ų | 212 | 153.7 Ų | 153.7 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -6.2 | 132.1 | 148.9 | -85.9 | -94.2 | 0 | 0 | 0 | 119 | ||||
| 28 | N | 28.6 | Very low | 34.7 | Very low | 157 Ų | 157 | 150.4 Ų | 150.4 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | -153.8 | 156 | 109.7 | -138.5 | -30.4 | 0 | 0 | 0 | 114.6 | |||||
| 29 | H | 32.2 | Very low | 34.8 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -82.3 | 143 | 179.2 | -125.5 | -96.4 | 0 | 0 | 0 | 111.1 | ||||
| 30 | T | 33 | Very low | 34.9 | Very low | 134 Ų | 134 | 152.8 Ų | 152.8 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -122.6 | 116 | 166.7 | -40.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 31 | S | 35.6 | Very low | 35 | Very low | 92 Ų | 92 | 154 Ų | 154 | 64% | 0.643 | 80% | 0.803 | S | S | * | * | trans | -76.4 | 137.7 | 178.5 | -179 | 0 | 0 | 0 | 0 | 111.6 | F33 | S31-F33 PolarHBondContact O-N 3.36Š| ||
| 32 | M | 37.8 | Very low | 35.1 | Very low | 186 Ų | 186 | 153.7 Ų | 153.7 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -89.7 | 85.1 | 171.2 | -69.7 | -152.3 | -150.8 | 0 | 0 | 111.7 | ||||
| 33 | F | 32.7 | Very low | 35.2 | Very low | 193 Ų | 193 | 153.7 Ų | 153.7 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -142.9 | 128.2 | 158.7 | -81.4 | -76.8 | 0 | 0 | 0 | 110.1 | S31 | S31-F33 PolarHBondContact O-N 3.36Š| ||
| 34 | A | 41.3 | Very low | 35.1 | Very low | 97 Ų | 97 | 153.9 Ų | 153.9 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 139 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 35 | P | 47.3 | Very low | 35 | Very low | 127 Ų | 127 | 153.7 Ų | 153.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 150.9 | -177.1 | 32.8 | -34.8 | 0 | 0 | 0 | 113.2 | ||
| 36 | H | 34.8 | Very low | 34.8 | Very low | 198 Ų | 198 | 151.7 Ų | 151.7 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 149.9 | 169.8 | -79.3 | -89 | 0 | 0 | 0 | 112.3 | ||
| 37 | R | 34.8 | Very low | 34.7 | Very low | 233 Ų | 233 | 146.7 Ų | 146.7 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -125.9 | 130.7 | 161.6 | -162.6 | 173.6 | -171.3 | 152 | 2.8 | 109.2 | ||||
| 38 | A | 37.9 | Very low | 34.5 | Very low | 85 Ų | 85 | 141.7 Ų | 141.7 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | trans | -109.3 | 148 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 39 | D | 35.5 | Very low | 34.8 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -164.1 | 158.9 | 145.7 | -90.4 | -38.5 | 0 | 0 | 0 | 108.7 | ||||
| 40 | K | 35.6 | Very low | 34.9 | Very low | 187 Ų | 187 | 137.4 Ų | 137.4 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -143.6 | 149.9 | -162.3 | -169.8 | -169.7 | -177 | -168.1 | 0 | 109.1 | ||||
| 41 | D | 33.9 | Very low | 34.9 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | 134.7 | 105.2 | 160.9 | -70.5 | -12.6 | 0 | 0 | 0 | 110.4 | ||||
| 42 | M | 36.6 | Very low | 34.8 | Very low | 156 Ų | 156 | 141 Ų | 141 | 77% | 0.768 | 79% | 0.785 | S | S | * | * | 89.4 | 112.7 | 79.5 | -83 | -144.4 | 68.7 | 0 | 0 | 113.3 | |||||
| 43 | L | 34 | Very low | 34.5 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | 176.5 | 137.9 | 115.2 | -93.1 | 169 | 0 | 0 | 0 | 113.2 | |||||
| 44 | S | 31.2 | Very low | 34.6 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 31.1 | 143.2 | 147.7 | 54 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 45 | S | 30.7 | Very low | 34.1 | Very low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | cis | -169.6 | 158.8 | 15.8 | 41.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 46 | S | 29.7 | Very low | 33.2 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | 59.5 | 146.6 | 146.6 | 57.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 47 | S | 31 | Very low | 33.1 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | cis | 179.9 | 135.3 | -15.6 | 49 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 48 | S | 30.9 | Very low | 33 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | -178.8 | 124.4 | 98.3 | 46.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 49 | S | 33.8 | Very low | 32.7 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | 43.4 | 121.6 | 100.6 | 68.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 50 | T | 34 | Very low | 32.6 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | -151 | 135.6 | 63.9 | 35.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 51 | Q | 34.4 | Very low | 32.3 | Very low | 170 Ų | 170 | 127 Ų | 127 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | 59.6 | 139.4 | 102.7 | -64.9 | -156 | -16.9 | 0 | 0 | 116.8 | |||||
| 52 | L | 33 | Very low | 33.4 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | cis | -158.6 | 155.5 | 3.9 | -150.6 | 76.9 | 0 | 0 | 0 | 111.2 | ||||
| 53 | S | 31.6 | Very low | 33.2 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | trans | 35.1 | 150.7 | 138.8 | -77.1 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 54 | Q | 33.4 | Very low | 33.1 | Very low | 157 Ų | 157 | 125.3 Ų | 125.3 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | -177.4 | 164.4 | -14.2 | -150.3 | 166.9 | -14.9 | 0 | 0 | 108.8 | ||||
| 55 | L | 32.3 | Very low | 33.1 | Very low | 164 Ų | 164 | 124.4 Ų | 124.4 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | 67.7 | 149.2 | 167.1 | -53.3 | 165.4 | 0 | 0 | 0 | 115.5 | ||||
| 56 | G | 28.6 | Very low | 33.1 | Very low | 67 Ų | 67 | 128.1 Ų | 128.1 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | cis | 143.2 | 143.5 | -3.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 57 | A | 31.6 | Very low | 33.1 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | trans | 79.2 | 141.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 58 | S | 33.7 | Very low | 33.1 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -78.3 | 167.9 | 172.7 | -41.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 59 | L | 31.4 | Very low | 34 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 89% | 0.885 | 78% | 0.783 | S | S | * | * | -167.9 | 171.1 | 115 | -124.1 | 85.6 | 0 | 0 | 0 | 114.7 | |||||
| 60 | Y | 33.3 | Very low | 34.1 | Very low | 217 Ų | 217 | 135.2 Ų | 135.2 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -55.8 | 143.5 | -178.5 | -96.1 | -118.3 | 0 | 0 | 0 | 118.4 | ||||
| 61 | A | 30.1 | Very low | 34 | Very low | 89 Ų | 89 | 140.7 Ų | 140.7 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | 73.2 | 158.4 | 124.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 62 | P | 56.8 | Low | 33.7 | Very low | 118 Ų | 118 | 136 Ų | 136 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -109.9 | 165.4 | -159.8 | 41.2 | -33.1 | 0 | 0 | 0 | 114.5 | ||||
| 63 | Q | 32.1 | Very low | 33.9 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -146.5 | 162.7 | 153.6 | -97.9 | -54.1 | -13.4 | 0 | 0 | 113 | ||||
| 64 | S | 30.7 | Very low | 33.9 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -103.9 | 175.5 | -166.5 | -54.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 65 | A | 31.4 | Very low | 33.8 | Very low | 83 Ų | 83 | 137.5 Ų | 137.5 | 69% | 0.686 | 81% | 0.807 | S | S | * | * | trans | 97.2 | 118.4 | 139 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 66 | L | 31.7 | Very low | 33.9 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 94% | 0.937 | 81% | 0.807 | S | S | * | * | trans | 77 | 133.9 | 139.1 | -61 | 164.6 | 0 | 0 | 0 | 121.3 | ||||
| 67 | G | 28.6 | Very low | 34.1 | Very low | 75 Ų | 75 | 137.3 Ų | 137.3 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | 137.6 | 91.4 | 152 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 68 | F | 32.4 | Very low | 34.1 | Very low | 211 Ų | 211 | 136.7 Ų | 136.7 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -78.9 | -174.2 | 162.9 | -65.2 | -84.8 | 0 | 0 | 0 | 111.5 | ||||
| 69 | P | 49.9 | Very low | 34.7 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | cis | -132.9 | 168.3 | -19 | 30 | -10.7 | 0 | 0 | 0 | 115.1 | ||||
| 70 | I | 34.7 | Very low | 34.5 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 90% | 0.903 | 81% | 0.809 | S | S | * | * | trans | -138.2 | 147.8 | 150.3 | -70.2 | -167.8 | 0 | 0 | 0 | 111.6 | ||||
| 71 | R | 32.6 | Very low | 34.3 | Very low | 241 Ų | 241 | 135.4 Ų | 135.4 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -77.3 | 150.1 | -174.8 | -87.5 | 171.8 | 160 | 163.2 | -7 | 116.3 | ||||
| 72 | G | 28.5 | Very low | 34.2 | Very low | 72 Ų | 72 | 136.9 Ų | 136.9 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | 86.5 | 143.8 | 133 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 73 | I | 36 | Very low | 32.9 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | cis | -153.3 | 154 | 33.1 | -76.3 | 161.1 | 0 | 0 | 0 | 111.2 | ||||
| 74 | N | 31.8 | Very low | 32.7 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | trans | -16.5 | 158.3 | 157.8 | -93.3 | -0.5 | 0 | 0 | 0 | 119.6 | ||||
| 75 | S | 32.6 | Very low | 32.5 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 65% | 0.65 | 82% | 0.822 | S | S | * | * | cis | -166.5 | 150.6 | 8.5 | -94.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 76 | S | 33.3 | Very low | 32.4 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | -179.4 | 134.3 | 129 | 34.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 77 | A | 33.4 | Very low | 32.3 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | 16.8 | 118.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 78 | A | 32 | Very low | 32.6 | Very low | 95 Ų | 95 | 146.8 Ų | 146.8 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | trans | -92.3 | -177.5 | 154.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 79 | P | 45.5 | Very low | 33.1 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | cis | -138.2 | 159.3 | 18.6 | 39.7 | -19.9 | 0 | 0 | 0 | 118.8 | ||||
| 80 | Q | 28 | Very low | 32.2 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 84% | 0.836 | 83% | 0.83 | S | S | * | * | trans | -96.8 | 150.7 | 153.7 | -88.1 | -78.9 | -43.2 | 0 | 0 | 109.4 | ||||
| 81 | L | 28.9 | Very low | 32 | Very low | 168 Ų | 168 | 138 Ų | 138 | 88% | 0.88 | 83% | 0.826 | S | S | * | * | trans | -94.4 | 129.1 | 173.2 | -81.1 | 162.6 | 0 | 0 | 0 | 110.3 | ||||
| 82 | S | 28.2 | Very low | 31.8 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 84% | 0.839 | 83% | 0.826 | S | S | * | * | trans | -128.6 | 136.6 | 171.3 | -68.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 83 | R | 28.6 | Very low | 31.9 | Very low | 253 Ų | 253 | 140.6 Ų | 140.6 | 96% | 0.955 | 83% | 0.834 | S | S | * | * | trans | -86.8 | 142.1 | 177.2 | -70.1 | 173.7 | 166.4 | 177 | -4.4 | 111.2 | ||||
| 84 | S | 28.1 | Very low | 31.5 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | -163.7 | 151.1 | 149.4 | 48.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 85 | S | 25.8 | Very low | 31.3 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | trans | 64.3 | 106.5 | 154.5 | 58.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 86 | L | 29.2 | Very low | 31.4 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 83% | 0.827 | 83% | 0.832 | S | S | * | * | 58.6 | 118.5 | 108.6 | -156.4 | 81 | 0 | 0 | 0 | 120.6 | |||||
| 87 | T | 29.7 | Very low | 31.3 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | 169.9 | 154.1 | 117 | 32.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 88 | Q | 34.9 | Very low | 31.1 | Very low | 182 Ų | 182 | 140.6 Ų | 140.6 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | -78.8 | 166.1 | 170.5 | -67.8 | 179.4 | -18.8 | 0 | 0 | 111.3 | ||||
| 89 | P | 42.9 | Very low | 31.1 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 84% | 0.844 | 82% | 0.822 | S | S | * | * | -141.6 | 172.8 | 103.7 | 37 | -23.3 | 0 | 0 | 0 | 115.2 | |||||
| 90 | A | 31.5 | Very low | 31 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 88% | 0.884 | 82% | 0.821 | S | S | * | * | trans | -90.1 | 164.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 91 | G | 31.2 | Very low | 31.2 | Very low | 80 Ų | 80 | 141 Ų | 141 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -150.3 | 130.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 92 | Q | 28.3 | Very low | 31.4 | Very low | 193 Ų | 193 | 138.6 Ų | 138.6 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -88.3 | 160.2 | 176.3 | -63.2 | 171.7 | -43 | 0 | 0 | 111.2 | ||||
| 93 | L | 29.7 | Very low | 31.7 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -162.6 | 159.6 | 140.3 | -108 | 163.6 | 0 | 0 | 0 | 112 | ||||
| 94 | S | 28.2 | Very low | 32 | Very low | 96 Ų | 96 | 130.5 Ų | 130.5 | 67% | 0.671 | 81% | 0.807 | S | S | * | * | trans | -98.9 | 168.5 | -153.8 | -45.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 95 | N | 26.7 | Very low | 32.3 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -153.5 | 157.4 | 155.9 | -127.2 | -1.6 | 0 | 0 | 0 | 115.4 | ||||
| 96 | H | 35.2 | Very low | 32.7 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 75% | 0.745 | 81% | 0.812 | S | S | * | * | trans | -153.7 | 148.9 | -169.1 | -79.9 | -63.8 | 0 | 0 | 0 | 109 | ||||
| 97 | T | 30.5 | Very low | 33.2 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 68% | 0.675 | 81% | 0.806 | S | S | * | * | cis | -159.5 | -177.9 | -5.3 | -81.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 98 | S | 29.1 | Very low | 33.4 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | 105.6 | 103.5 | 155.5 | -50.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 99 | T | 32 | Very low | 33.1 | Very low | 135 Ų | 135 | 130 Ų | 130 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -104.1 | 166.1 | 161.5 | 57.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 100 | P | 45 | Very low | 32.8 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | -147.6 | -172.3 | 51.3 | 47.6 | -27.1 | 0 | 0 | 0 | 113.6 | |||||
| 101 | N | 31 | Very low | 33 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | cis | -154.1 | 142.1 | -5.6 | -150.2 | -5 | 0 | 0 | 0 | 109.5 | ||||
| 102 | S | 33.5 | Very low | 32.9 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | 154.6 | 123 | 140 | 51.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 103 | G | 34 | Very low | 33.3 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | 86.3 | 103.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 104 | P | 36.2 | Very low | 33.2 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | trans | -82.3 | 127.5 | 173.2 | 32 | -32 | 0 | 0 | 0 | 112.5 | ||||
| 105 | L | 34.6 | Very low | 33.2 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -70.6 | 141.4 | 159.7 | 177.9 | 74.3 | 0 | 0 | 0 | 109.5 | ||||
| 106 | H | 33 | Very low | 33.5 | Very low | 178 Ų | 178 | 133.3 Ų | 133.3 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -157.4 | 122.4 | 148.1 | -107.9 | -70 | 0 | 0 | 0 | 113.1 | ||||
| 107 | T | 41 | Very low | 33.3 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | trans | -70.7 | 155.1 | 155.6 | 48.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 108 | P | 33.8 | Very low | 33.6 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | -143.5 | 155.3 | 120.9 | 36.2 | -22.2 | 0 | 0 | 0 | 116.1 | |||||
| 109 | S | 27.4 | Very low | 33.7 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 11.5 | 141.4 | 146.1 | -48.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 110 | S | 36.4 | Very low | 33.5 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -53 | 152.2 | 168.8 | -39.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 111 | P | 35.8 | Very low | 32.9 | Very low | 124 Ų | 124 | 134 Ų | 134 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | trans | -133.2 | 134.7 | 140.9 | 34.9 | -22.6 | 0 | 0 | 0 | 113.9 | ||||
| 112 | N | 29.5 | Very low | 32.9 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -74.5 | 130.8 | 155.5 | -85.3 | -39.6 | 0 | 0 | 0 | 109.4 | ||||
| 113 | R | 36.2 | Very low | 32.7 | Very low | 241 Ų | 241 | 137.3 Ų | 137.3 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | 171.9 | 135.2 | 113.3 | -120.8 | -169.7 | 165.8 | -169.1 | -3.8 | 115.2 | |||||
| 114 | A | 29 | Very low | 32.5 | Very low | 85 Ų | 85 | 138.8 Ų | 138.8 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | 48.6 | 125.4 | 132 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 115 | S | 28 | Very low | 32.3 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | -106.3 | 153.1 | 120.6 | 56 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 116 | I | 33.3 | Very low | 32.1 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 82% | 0.821 | 80% | 0.796 | S | S | * | * | cis | -146.3 | 158.6 | 35.5 | -72.9 | 172.5 | 0 | 0 | 0 | 109.6 | ||||
| 117 | M | 30 | Very low | 31.9 | Very low | 145 Ų | 145 | 137.5 Ų | 137.5 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | trans | -85.3 | 171.6 | 176.6 | -58.7 | -164.3 | -74.8 | 0 | 0 | 113.4 | L119 | M117-L119 HydrophobicContact CE-CD1 3.79Å; M117-L119 HydrophobicContact SD-CD1 3.81Å; M117-L119 HydrophobicContact SD-CG 4.33Å | ||
| 118 | P | 36.8 | Very low | 31.5 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | -136.1 | 161.1 | 86.4 | 24.6 | -5.2 | 0 | 0 | 0 | 115.1 | |||||
| 119 | L | 30.6 | Very low | 31.2 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 67% | 0.665 | 79% | 0.79 | S | S | * | * | trans | -90.9 | 146.2 | 170.9 | -63.6 | 113.3 | 0 | 0 | 0 | 111.3 | M117 | M117-L119 HydrophobicContact CE-CD1 3.79Å; M117-L119 HydrophobicContact SD-CD1 3.81Å; M117-L119 HydrophobicContact SD-CG 4.33Å | ||
| 120 | T | 29.5 | Very low | 31.5 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | -154.9 | 125.6 | 121.9 | 46.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 121 | S | 31.2 | Very low | 31.2 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -67.9 | 168.7 | 172.4 | -47.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 122 | S | 30.5 | Very low | 31 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | cis | -169 | 170.7 | 32.2 | -41.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 123 | R | 29.9 | Very low | 31 | Very low | 233 Ų | 233 | 141.4 Ų | 141.4 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | 86 | 86.4 | 150.8 | -71 | -178.2 | 177.1 | -163.4 | -1.8 | 121.4 | ||||
| 124 | S | 30.9 | Very low | 30.5 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | 56.2 | 111.8 | 102.6 | -59.6 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 125 | V | 31.6 | Very low | 31.7 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | 36.2 | 134.3 | 129.3 | -66.3 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 126 | L | 30.1 | Very low | 31.7 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | -160.2 | 175.6 | 73.7 | -128.4 | 106.9 | 0 | 0 | 0 | 116.2 | |||||
| 127 | N | 29.3 | Very low | 31.6 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -106.9 | 143.2 | -172.5 | 167.4 | 31 | 0 | 0 | 0 | 111.6 | ||||
| 128 | H | 31.4 | Very low | 31.7 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 73% | 0.731 | 79% | 0.785 | S | S | * | * | trans | -175.9 | 159.6 | 133.8 | -152.5 | 55.6 | 0 | 0 | 0 | 114.9 | ||||
| 129 | N | 28.8 | Very low | 31.4 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -80.7 | 153.6 | 171.7 | -91.1 | -22.7 | 0 | 0 | 0 | 113.3 | ||||
| 130 | Q | 33 | Very low | 31.4 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | 158.2 | 131.8 | 117.5 | -87.4 | -172.2 | 83.6 | 0 | 0 | 114.1 | |||||
| 131 | Q | 30.8 | Very low | 31.5 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | 28.2 | 143.8 | 126.1 | -138.7 | 82.7 | 3.9 | 0 | 0 | 122.1 | |||||
| 132 | V | 30.7 | Very low | 31.6 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | 109.7 | 125.3 | 149.9 | -177 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 133 | G | 29 | Very low | 31.8 | Very low | 73 Ų | 73 | 130 Ų | 130 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 102.3 | 114.8 | 141.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 134 | G | 27.1 | Very low | 32.2 | Very low | 74 Ų | 74 | 129 Ų | 129 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | -97.9 | -158.3 | 148.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 135 | P | 53.5 | Low | 32.3 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | cis | -135.6 | -150.2 | -7.7 | 36.4 | -14 | 0 | 0 | 0 | 112.3 | ||||
| 136 | T | 28.5 | Very low | 32.4 | Very low | 143 Ų | 143 | 126 Ų | 126 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | 82.3 | 146.9 | 161.3 | 48.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 137 | G | 31 | Very low | 32.6 | Very low | 74 Ų | 74 | 122 Ų | 122 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | 105.6 | 81 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 138 | Q | 32.1 | Very low | 32.8 | Very low | 178 Ų | 178 | 118.4 Ų | 118.4 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | cis | 80.9 | 132.1 | 48.8 | -149.5 | -168.1 | 89.2 | 0 | 0 | 113.9 | ||||
| 139 | T | 30.9 | Very low | 33 | Very low | 139 Ų | 139 | 118.4 Ų | 118.4 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | 65.8 | 142.3 | 175.5 | 72.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 140 | G | 30.5 | Very low | 33.3 | Very low | 79 Ų | 79 | 115.1 Ų | 115.1 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | cis | 162.7 | 163.9 | -12.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 141 | G | 30.6 | Very low | 33.5 | Very low | 89 Ų | 89 | 119.1 Ų | 119.1 | 92% | 0.918 | 81% | 0.813 | S | S | * | * | trans | 106.6 | 138.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 142 | G | 32.7 | Very low | 33.7 | Very low | 70 Ų | 70 | 116.5 Ų | 116.5 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | 104.3 | 85 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 143 | E | 36.3 | Very low | 33.9 | Very low | 151 Ų | 151 | 113 Ų | 113 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | 65.2 | 136.1 | 74.9 | -60.5 | -153.9 | 130.5 | 0 | 0 | 114.1 | |||||
| 144 | R | 37.3 | Very low | 34.1 | Very low | 213 Ų | 213 | 115.7 Ų | 115.7 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | cis | -166.4 | 146.6 | 2.4 | -117 | 175.3 | -157.5 | -173.1 | 16 | 111.1 | ||||
| 145 | G | 32.8 | Very low | 34.5 | Very low | 87 Ų | 87 | 121.3 Ų | 121.3 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | trans | 70 | 151.7 | 149.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 146 | G | 34.7 | Very low | 33.5 | Very low | 81 Ų | 81 | 119.4 Ų | 119.4 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | cis | 164.1 | 141.7 | -8.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 147 | G | 33.4 | Very low | 33.7 | Very low | 87 Ų | 87 | 118.4 Ų | 118.4 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | trans | 81.6 | 144.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 148 | G | 33.5 | Very low | 34.7 | Very low | 62 Ų | 62 | 120.5 Ų | 120.5 | 64% | 0.639 | 82% | 0.816 | S | S | * | * | cis | 165.3 | 152 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 149 | T | 36.6 | Very low | 34.7 | Very low | 157 Ų | 157 | 117.1 Ų | 117.1 | 96% | 0.963 | 81% | 0.812 | S | S | * | * | trans | 65.6 | 144.5 | 168.3 | 70 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 150 | G | 35 | Very low | 34.9 | Very low | 66 Ų | 66 | 121.9 Ų | 121.9 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | cis | 160.9 | 167.9 | -8.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 151 | R | 36.2 | Very low | 35 | Very low | 253 Ų | 253 | 123.4 Ų | 123.4 | 96% | 0.955 | 81% | 0.813 | S | S | * | * | trans | 76.2 | 150.4 | 169.5 | -56.3 | 178.8 | 172.9 | -149.3 | -4.1 | 117.1 | ||||
| 152 | S | 36.5 | Very low | 35 | Very low | 115 Ų | 115 | 124 Ų | 124 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | cis | -173 | 137.3 | -19.9 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 153 | G | 33 | Very low | 35.8 | Very low | 67 Ų | 67 | 127.3 Ų | 127.3 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | trans | 83.6 | 156 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 154 | T | 33.6 | Very low | 35.6 | Very low | 129 Ų | 129 | 125 Ų | 125 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | cis | -159.8 | 135.6 | -5.5 | 35.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 155 | M | 35.9 | Very low | 35.6 | Very low | 193 Ų | 193 | 122.5 Ų | 122.5 | 95% | 0.951 | 81% | 0.813 | S | S | * | * | trans | 43.3 | 136.3 | 141 | -59.5 | -171.1 | 178.6 | 0 | 0 | 123.9 | ||||
| 156 | G | 32.4 | Very low | 35.9 | Very low | 75 Ų | 75 | 125.9 Ų | 125.9 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | 171.1 | 91 | 157.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 157 | S | 32.3 | Very low | 35.6 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -144 | 150.1 | 170.1 | -57.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 158 | P | 52 | Low | 35.7 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | -144 | 147.8 | 77.8 | 25.5 | -2.3 | 0 | 0 | 0 | 114.3 | |||||
| 159 | S | 32.7 | Very low | 36 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | 94.2 | 138 | 59.3 | 98.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 160 | R | 34.3 | Very low | 36.1 | Very low | 239 Ų | 239 | 134.2 Ų | 134.2 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | 103 | 125.8 | -178.3 | -67.1 | -179 | 170.4 | -116.7 | -0.8 | 114.4 | ||||
| 161 | S | 33.3 | Very low | 35.9 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | cis | -148.8 | 151.5 | 7 | -37.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 162 | S | 30.6 | Very low | 35.7 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -104.3 | 173.2 | 166 | -48.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 163 | P | 50.4 | Low | 35.2 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | -130.1 | 167.2 | 75.8 | 17.4 | 4.4 | 0 | 0 | 0 | 115 | |||||
| 164 | S | 31.6 | Very low | 34.9 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | -117.9 | 157.1 | -167.3 | -46.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 165 | I | 36.6 | Very low | 34.6 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | trans | 172.1 | 130.7 | 155.6 | -102.4 | 158.3 | 0 | 0 | 0 | 105.9 | ||||
| 166 | I | 39.3 | Very low | 34 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | cis | -142 | 136.1 | 0.3 | -87.9 | 153.7 | 0 | 0 | 0 | 105.1 | ||||
| 167 | G | 28.8 | Very low | 34 | Very low | 71 Ų | 71 | 148.9 Ų | 148.9 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | 132.4 | 134.3 | 88.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 168 | M | 35.5 | Very low | 33.7 | Very low | 179 Ų | 179 | 150.6 Ų | 150.6 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | -94.5 | -173.9 | -167 | -69.5 | 169.6 | 69.4 | 0 | 0 | 113.1 | ||||
| 169 | P | 39.4 | Very low | 32.7 | Very low | 109 Ų | 109 | 156.2 Ų | 156.2 | 71% | 0.708 | 82% | 0.821 | S | S | * | * | cis | -132.4 | 178.6 | -48.1 | 34.7 | -18.5 | 0 | 0 | 0 | 113.7 | ||||
| 170 | K | 38.6 | Very low | 32.6 | Very low | 203 Ų | 203 | 158.4 Ų | 158.4 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -80.5 | 140.4 | 159.4 | -79.4 | 176.3 | 171.9 | 174.3 | 0 | 111.9 | ||||
| 171 | Q | 30.7 | Very low | 32.8 | Very low | 176 Ų | 176 | 152.4 Ų | 152.4 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -161.5 | 117.7 | 142.9 | -106.3 | 169.4 | -7.2 | 0 | 0 | 107.5 | ||||
| 172 | Q | 32.5 | Very low | 32.5 | Very low | 189 Ų | 189 | 150.2 Ų | 150.2 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | 46.3 | 96.3 | 94.7 | -84.4 | -172.3 | -20.5 | 0 | 0 | 115 | |||||
| 173 | A | 25.1 | Very low | 32.4 | Very low | 96 Ų | 96 | 156 Ų | 156 | 79% | 0.793 | 82% | 0.824 | S | S | * | * | trans | -158.3 | 154.2 | 147.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 174 | R | 27.2 | Very low | 31.5 | Very low | 230 Ų | 230 | 155.6 Ų | 155.6 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | -69.6 | 151.3 | -178.7 | -61.8 | 163.5 | 165.7 | 174.3 | -7.3 | 113.4 | ||||
| 175 | F | 27.3 | Very low | 31.3 | Very low | 194 Ų | 194 | 159.6 Ų | 159.6 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | -135.3 | 121.2 | 145 | -67 | -83.7 | 0 | 0 | 0 | 105.8 | ||||
| 176 | S | 24 | Very low | 30.9 | Very low | 108 Ų | 108 | 156 Ų | 156 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | 58.6 | 89.8 | 52.4 | -69.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 177 | F | 31.5 | Very low | 30.3 | Very low | 213 Ų | 213 | 156.7 Ų | 156.7 | 93% | 0.934 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 116.3 | 162 | -76.2 | -84 | 0 | 0 | 0 | 109.4 | ||
| 178 | N | 27 | Very low | 30.4 | Very low | 157 Ų | 157 | 157.9 Ų | 157.9 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 116.1 | 176.1 | -155.3 | 39.7 | 0 | 0 | 0 | 109.6 | ||
| 179 | R | 30.9 | Very low | 30.3 | Very low | 235 Ų | 235 | 157.7 Ų | 157.7 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 145.8 | 164.6 | -81.3 | -179.2 | 170.2 | -179.7 | -3.5 | 109.1 | ||
| 180 | N | 29.4 | Very low | 29.9 | Very low | 153 Ų | 153 | 158.8 Ų | 158.8 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -126.1 | 156.9 | 158.6 | -132 | 31.2 | 0 | 0 | 0 | 108.1 | ||||
| 181 | P | 40.1 | Very low | 29.5 | Very low | 114 Ų | 114 | 154.6 Ų | 154.6 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | trans | -122 | 163.6 | -138.5 | 29.7 | -10.9 | 0 | 0 | 0 | 115.3 | ||||
| 182 | G | 25.8 | Very low | 29.5 | Very low | 65 Ų | 65 | 153.7 Ų | 153.7 | 67% | 0.67 | 82% | 0.819 | S | S | * | * | trans | 75.1 | 106.1 | 140.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 183 | F | 29.6 | Very low | 29.7 | Very low | 225 Ų | 225 | 152.6 Ų | 152.6 | 99% | 0.987 | 82% | 0.817 | S | S | * | * | -129 | 129.2 | 108.6 | -100.1 | -83.6 | 0 | 0 | 0 | 108.4 | |||||
| 184 | N | 29.6 | Very low | 29.9 | Very low | 128 Ų | 128 | 158.2 Ų | 158.2 | 68% | 0.684 | 82% | 0.824 | S | S | * | * | trans | -130.8 | 132.2 | 176.7 | -178.6 | 19.1 | 0 | 0 | 0 | 107.4 | ||||
| 185 | M | 27.7 | Very low | 30 | Very low | 188 Ų | 188 | 155.1 Ų | 155.1 | 93% | 0.926 | 83% | 0.825 | S | S | * | * | trans | -134.1 | 102.2 | 162.1 | -159 | 75.5 | 170.5 | 0 | 0 | 106.1 | ||||
| 186 | S | 29.1 | Very low | 30.1 | Very low | 84 Ų | 84 | 148.3 Ų | 148.3 | 59% | 0.587 | 81% | 0.809 | S | S | * | * | trans | -66.5 | 148.9 | -172.7 | -49.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 187 | N | 27.6 | Very low | 30.7 | Very low | 173 Ų | 173 | 150.1 Ų | 150.1 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | trans | -129.2 | 122.5 | 137.6 | -144.9 | 13.1 | 0 | 0 | 0 | 108 | ||||
| 188 | S | 30.4 | Very low | 30.7 | Very low | 96 Ų | 96 | 148 Ų | 148 | 67% | 0.671 | 81% | 0.814 | S | S | * | * | trans | -103.3 | 121.7 | -162.6 | 53 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 189 | L | 31.9 | Very low | 31.3 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -132.1 | 142.3 | 147.5 | -73.5 | 178.6 | 0 | 0 | 0 | 108.9 | ||||
| 190 | T | 32.2 | Very low | 31.4 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -100.1 | 130.4 | -158.1 | -47.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 191 | S | 30.2 | Very low | 32 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -138.7 | 66.5 | 171.4 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 192 | N | 30.3 | Very low | 31.8 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -101.3 | 81 | 163.9 | -86.1 | -18.6 | 0 | 0 | 0 | 109.9 | ||||
| 193 | I | 37.1 | Very low | 32.7 | Very low | 166 Ų | 166 | 145.4 Ų | 145.4 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -141.6 | 86.7 | 164.8 | -51.6 | 179.7 | 0 | 0 | 0 | 109.4 | ||||
| 194 | F | 29.8 | Very low | 33.4 | Very low | 213 Ų | 213 | 140.9 Ų | 140.9 | 93% | 0.934 | 81% | 0.811 | S | S | * | * | trans | -155.6 | 84.8 | 159.3 | -146.8 | -87.8 | 0 | 0 | 0 | 111.6 | ||||
| 195 | N | 28.6 | Very low | 34 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -162.2 | 138.2 | 160 | -168.7 | 36.4 | 0 | 0 | 0 | 111.1 | ||||
| 196 | G | 28.7 | Very low | 35.3 | Very low | 51 Ų | 51 | 137.1 Ų | 137.1 | 53% | 0.526 | 81% | 0.811 | S | S | . | * | trans | 80.7 | 115.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 197 | T | 36.3 | Very low | 36.6 | Very low | 145 Ų | 145 | 138 Ų | 138 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | 65.3 | 133.8 | 59.8 | 72 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 198 | D | 31.5 | Very low | 38 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | trans | 88.9 | 139.4 | -173.2 | -153.5 | 2 | 0 | 0 | 0 | 114.6 | ||||
| 199 | G | 40.8 | Very low | 39.6 | Very low | 68 Ų | 68 | 135.5 Ų | 135.5 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -98.2 | 126 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 200 | S | 32.9 | Very low | 41.1 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -145.9 | 133.9 | 158.8 | 54.4 | 0 | 0 | 0 | 0 | 110.2 | N202 | S200-N202 PolarHBondContact O-N 3.06Š| ||
| 201 | E | 40.9 | Very low | 42.8 | Very low | 191 Ų | 191 | 133.2 Ų | 133.2 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | -77.3 | 104.1 | 179.3 | -62.1 | 178.7 | 149.7 | 0 | 0 | 109.4 | ||||
| 202 | N | 37.3 | Very low | 44.3 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -157.6 | 92.6 | 160.7 | -91.2 | -48.5 | 0 | 0 | 0 | 109.4 | S200 | S200-N202 PolarHBondContact O-N 3.06Š| ||
| 203 | V | 43.3 | Very low | 45.5 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | trans | -70.1 | 129.6 | 174.1 | 176.2 | 0 | 0 | 0 | 0 | 109 | G205 | V203-G205 PolarHBondContact O-N 3.42Š| ||
| 204 | T | 45.6 | Very low | 46 | Very low | 130 Ų | 130 | 127 Ų | 127 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | trans | -62.4 | 102.6 | 171.5 | 49.4 | 0 | 0 | 0 | 0 | 109.9 | L206 | T204-L206 PolarHBondContact O-N 3.14Š| ||
| 205 | G | 42.5 | Very low | 47.2 | Very low | 73 Ų | 73 | 119.2 Ų | 119.2 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 129.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V203 | V203-G205 PolarHBondContact O-N 3.42Š|
| 206 | L | 55 | Low | 47.9 | Very low | 163 Ų | 163 | 117.9 Ų | 117.9 | 85% | 0.853 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 129 | 169.1 | -66.1 | 170.1 | 0 | 0 | 0 | 108.9 | T204 L208 | T204-L206 PolarHBondContact O-N 3.14Å; L206-L208 PolarHBondContact O-N 2.91Å |
| 207 | D | 54.9 | Low | 48.8 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 56% | 0.556 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 116.8 | 177.1 | -169 | -10 | 0 | 0 | 0 | 110.2 | S209 | D207-S209 PolarHBondContact O-N 3.35Å; D207-S209 WeakPolarHBondContact OD1-CB 3.08Å; D207-S209 PolarHBondContact OD1-N 3.38Å; D207-S209 PolarHBondContact OD1-OG 3.13Å |
| 208 | L | 58.1 | Low | 49.1 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -76.1 | -3.6 | -179.9 | -71.5 | 163.6 | 0 | 0 | 0 | 112.9 | L206 D210 F211 | L206-L208 PolarHBondContact O-N 2.91Å; L208-D210 PolarHBondContact O-N 3.25Å; L208-F211 PolarHBondContact O-N 3.04Å |
| 209 | S | 64.6 | Low | 49.7 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -63.2 | -28.6 | 173.7 | -53.4 | 0 | 0 | 0 | 0 | 113.1 | D207 F211 | D207-S209 PolarHBondContact O-N 3.35Å; D207-S209 WeakPolarHBondContact OD1-CB 3.08Å; D207-S209 PolarHBondContact OD1-N 3.38Å; D207-S209 PolarHBondContact OD1-OG 3.13Å; S209-F211 VanDerWaalsContact C-N 3.28Å; S209-F211 PolarHBondContact O-N 3.19Å |
| 210 | D | 62.8 | Low | 49.8 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 68% | 0.684 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -77 | -7.6 | -176.7 | -76.1 | -23.4 | 0 | 0 | 0 | 114.1 | L208 | L208-D210 PolarHBondContact O-N 3.25Š|
| 211 | F | 67.4 | Low | 49.8 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 58% | 0.575 | 73% | 0.732 | S | S | * | * | trans | -127.7 | 74.9 | -178.3 | -66.6 | -85.8 | 0 | 0 | 0 | 113.3 | L208 S209 A213 L214 | L208-F211 PolarHBondContact O-N 3.04Å; S209-F211 VanDerWaalsContact C-N 3.28Å; S209-F211 PolarHBondContact O-N 3.19Å; F211-A213 PolarHBondContact O-N 3.14Å; F211-L214 HydrophobicContact CB-CB 4.48Å; F211-L214 HydrophobicContact CB-CD1 4.1Å; F211-L214 HydrophobicContact CB-CG 4.38Å; F211-L214 PolarHBondContact O-N 3.04Å | ||
| 212 | P | 61.2 | Low | 49.4 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -54.6 | -31.6 | -179.1 | -26.9 | 34.8 | 0 | 0 | 0 | 114.4 | L214 A215 | P212-L214 PolarHBondContact O-N 2.8Å; P212-A215 PolarHBondContact O-N 3.1Å |
| 213 | A | 55.9 | Low | 49.4 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 78% | 0.777 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -67.6 | -13.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F211 | F211-A213 PolarHBondContact O-N 3.14Å |
| 214 | L | 48.1 | Very low | 48.9 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 59% | 0.592 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -104.2 | -27.9 | 179.1 | -64.2 | 177.9 | 0 | 0 | 0 | 113 | F211 P212 D216 | F211-L214 HydrophobicContact CB-CB 4.48Å; F211-L214 HydrophobicContact CB-CD1 4.1Å; F211-L214 HydrophobicContact CB-CG 4.38Å; F211-L214 PolarHBondContact O-N 3.04Å; P212-L214 PolarHBondContact O-N 2.8Å; L214-D216 VanDerWaalsContact C-N 3.34Å; L214-D216 PolarHBondContact O-N 2.87Å |
| 215 | A | 54.4 | Low | 48.4 | Very low | 49 Ų | 49 | 128.9 Ų | 128.9 | 41% | 0.405 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -62.6 | -37.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | P212 R217 S218 | P212-A215 PolarHBondContact O-N 3.1Å; A215-R217 VanDerWaalsContact C-N 3.27Å; A215-R217 PolarHBondContact O-N 2.93Å; A215-S218 PolarHBondContact O-N 3.45Å; A215-S218 VanDerWaalsContact O-N 3.13Å; A215-S218 PolarHBondContact O-OG 3.39Å |
| 216 | D | 43.2 | Very low | 48.4 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -70.6 | -16.6 | -169.8 | -119.6 | -2.8 | 0 | 0 | 0 | 114.7 | L214 S218 | L214-D216 VanDerWaalsContact C-N 3.34Å; L214-D216 PolarHBondContact O-N 2.87Å; D216-S218 PolarHBondContact O-N 3.38Å |
| 217 | R | 48.5 | Very low | 47.6 | Very low | 234 Ų | 234 | 128.4 Ų | 128.4 | 88% | 0.883 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -74.3 | -12.6 | 173.6 | -74.4 | -174.6 | 173.4 | -174.9 | -2.1 | 113.7 | A215 | A215-R217 VanDerWaalsContact C-N 3.27Å; A215-R217 PolarHBondContact O-N 2.93Å |
| 218 | S | 42.3 | Very low | 47.2 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -95 | -5.3 | -175.5 | 68.7 | 0 | 0 | 0 | 0 | 115.1 | A215 D216 | A215-S218 PolarHBondContact O-N 3.45Å; A215-S218 VanDerWaalsContact O-N 3.13Å; A215-S218 PolarHBondContact O-OG 3.39Å; D216-S218 PolarHBondContact O-N 3.38Å |
| 219 | R | 43.9 | Very low | 45.9 | Very low | 216 Ų | 216 | 131.9 Ų | 131.9 | 82% | 0.815 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -107.7 | 11.5 | -166.2 | -79 | -170.6 | 170 | -172.9 | -1 | 116.5 | ||
| 220 | R | 42.8 | Very low | 44.3 | Very low | 230 Ų | 230 | 135.1 Ų | 135.1 | 87% | 0.868 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -120.8 | 78.8 | 173.9 | -162.6 | -177.5 | -88.8 | -169 | -2.9 | 110.6 | ||
| 221 | D | 34.2 | Very low | 42.9 | Very low | 162 Ų | 162 | 136 Ų | 136 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 176.2 | 156.2 | 134.4 | -86.7 | -22.1 | 0 | 0 | 0 | 111.9 | ||
| 222 | G | 32 | Very low | 42.1 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | 90 | 73.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 119 | S224 | G222-S224 PolarHBondContact O-N 3.32Š| ||
| 223 | S | 35.8 | Very low | 40.7 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | trans | -74.3 | 102.2 | 155.6 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 224 | S | 33.3 | Very low | 39.5 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | 170.3 | 141 | 139.7 | 42.5 | 0 | 0 | 0 | 0 | 111.8 | G222 | G222-S224 PolarHBondContact O-N 3.32Š| ||
| 225 | N | 35.7 | Very low | 38.7 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -131.4 | 152.1 | 169.8 | -154.3 | -0.2 | 0 | 0 | 0 | 105.7 | T227 | N225-T227 PolarHBondContact OD1-N 2.87Š| ||
| 226 | P | 42.3 | Very low | 37.6 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | -150.9 | 122.8 | 85 | 36.2 | -16 | 0 | 0 | 0 | 116.8 | |||||
| 227 | T | 37.5 | Very low | 37.1 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | trans | 66.7 | 155.4 | 135.4 | 51.7 | 0 | 0 | 0 | 0 | 121.4 | N225 | N225-T227 PolarHBondContact OD1-N 2.87Š| ||
| 228 | P | 46.8 | Very low | 36.9 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | trans | -111.3 | 171.4 | -153.7 | 41.8 | -33.8 | 0 | 0 | 0 | 115.5 | ||||
| 229 | Q | 31.9 | Very low | 36.3 | Very low | 191 Ų | 191 | 144 Ų | 144 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -131.9 | 154.4 | 163.6 | -86.5 | -66 | -24.1 | 0 | 0 | 111 | ||||
| 230 | L | 30.2 | Very low | 35.7 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | -114.6 | 163.5 | -162.7 | -102.3 | 157.7 | 0 | 0 | 0 | 113.1 | ||||
| 231 | N | 33.4 | Very low | 35.2 | Very low | 146 Ų | 146 | 132 Ų | 132 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | 85.8 | 164.8 | 151.9 | -113.6 | 21.3 | 0 | 0 | 0 | 118.7 | ||||
| 232 | P | 51.6 | Low | 35.2 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | -138 | -156.5 | -111 | 42.3 | -21 | 0 | 0 | 0 | 113.8 | |||||
| 233 | L | 30.4 | Very low | 35.6 | Very low | 164 Ų | 164 | 135.7 Ų | 135.7 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | 114 | 144.3 | 150.1 | -154 | 74.3 | 0 | 0 | 0 | 117.8 | ||||
| 234 | A | 31.9 | Very low | 35.9 | Very low | 93 Ų | 93 | 135.5 Ų | 135.5 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 71.3 | 100.7 | 157 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 235 | G | 30 | Very low | 35.9 | Very low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -82.6 | 175.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 236 | R | 32.4 | Very low | 35.9 | Very low | 252 Ų | 252 | 138.7 Ų | 138.7 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | trans | -161.3 | 156.6 | 147.6 | -126.7 | -173.5 | -177.6 | -123.4 | 3.8 | 110 | ||||
| 237 | A | 33.3 | Very low | 35.3 | Very low | 83 Ų | 83 | 138.6 Ų | 138.6 | 69% | 0.686 | 80% | 0.797 | S | S | * | * | trans | -101.5 | -173.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 238 | P | 43.2 | Very low | 35.1 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | -107.5 | 164 | -75.7 | 36.4 | -27.5 | 0 | 0 | 0 | 111 | |||||
| 239 | Y | 29.8 | Very low | 34.6 | Very low | 233 Ų | 233 | 142.3 Ų | 142.3 | 91% | 0.914 | 81% | 0.809 | S | S | * | * | trans | -118.9 | 146.8 | 172.7 | -156 | -94.7 | 0 | 0 | 0 | 112.2 | ||||
| 240 | V | 31.4 | Very low | 34.7 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 76% | 0.758 | 81% | 0.807 | S | S | * | * | trans | -102.6 | 135.6 | -169.4 | -173.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 241 | G | 33.1 | Very low | 35.1 | Very low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | 67.7 | 101.6 | 150.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 242 | M | 32.6 | Very low | 35.6 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | trans | -133.4 | 127 | 137.9 | -79.5 | -141 | 74.1 | 0 | 0 | 110.1 | T244 | M242-T244 PolarHBondContact O-N 3.48Š| ||
| 243 | V | 40.6 | Very low | 34.9 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -75.9 | 110.6 | 169.8 | 171.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 244 | T | 41.7 | Very low | 35.5 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -107.9 | 126.7 | 166.1 | 49.7 | 0 | 0 | 0 | 0 | 109.7 | M242 | M242-T244 PolarHBondContact O-N 3.48Š| ||
| 245 | K | 34.4 | Very low | 36.3 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 141.7 | 177.7 | -61.8 | 166.4 | -179.8 | 173.3 | 0 | 109.5 | S247 | K245-S247 PolarHBondContact O-N 3.38Š|
| 246 | P | 35.5 | Very low | 37.6 | Very low | 130 Ų | 130 | 146.4 Ų | 146.4 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65 | 120.3 | 173.7 | 27.1 | -32.8 | 0 | 0 | 0 | 109.8 | ||
| 247 | S | 30.7 | Very low | 38.8 | Very low | 108 Ų | 108 | 141 Ų | 141 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 130.6 | 162.9 | 43.2 | 0 | 0 | 0 | 0 | 109.1 | K245 E249 | K245-S247 PolarHBondContact O-N 3.38Å; S247-E249 PolarHBondContact O-N 2.91Å; S247-E249 VanDerWaalsContact O-N 3.13Å |
| 248 | S | 33.1 | Very low | 39.7 | Very low | 118 Ų | 118 | 145 Ų | 145 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -74.8 | 97.1 | -179.9 | 53 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 249 | E | 34.7 | Very low | 40.4 | Very low | 190 Ų | 190 | 147.8 Ų | 147.8 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 120.3 | 156.5 | -76.3 | -172.2 | 133.2 | 0 | 0 | 108.7 | S247 S251 | S247-E249 PolarHBondContact O-N 2.91Å; S247-E249 VanDerWaalsContact O-N 3.13Å; E249-S251 PolarHBondContact O-N 2.77Å |
| 250 | Q | 35.1 | Very low | 41.5 | Very low | 181 Ų | 181 | 143 Ų | 143 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 119.9 | 171.1 | -77.4 | 174.4 | -45.9 | 0 | 0 | 109 | Q252 | Q250-Q252 PolarHBondContact O-N 2.99Š|
| 251 | S | 37.9 | Very low | 42.6 | Very low | 94 Ų | 94 | 145.3 Ų | 145.3 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 124.9 | 152.6 | 41.9 | 0 | 0 | 0 | 0 | 108.4 | E249 D253 | E249-S251 PolarHBondContact O-N 2.77Å; S251-D253 PolarHBondContact O-N 3.34Å |
| 252 | Q | 43.3 | Very low | 43.8 | Very low | 191 Ų | 191 | 147.9 Ų | 147.9 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | -72.5 | 80.6 | 167.9 | -76.2 | -171.1 | -17.7 | 0 | 0 | 109 | Q250 | Q250-Q252 PolarHBondContact O-N 2.99Š| ||
| 253 | D | 38.4 | Very low | 44.6 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -68.8 | 132.6 | 166.9 | -99.6 | -53.9 | 0 | 0 | 0 | 110.2 | S251 S255 | S251-D253 PolarHBondContact O-N 3.34Å; D253-S255 VanDerWaalsContact C-N 3.32Å; D253-S255 PolarHBondContact O-N 3.47Å | ||
| 254 | F | 43.5 | Very low | 44.8 | Very low | 201 Ų | 201 | 145.3 Ų | 145.3 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -72.8 | 84.8 | 174 | -94 | -93.7 | 0 | 0 | 0 | 110.3 | I256 | F254-I256 PolarHBondContact O-N 3.3Š| ||
| 255 | S | 46.9 | Very low | 44.5 | Very low | 89 Ų | 89 | 145.6 Ų | 145.6 | 62% | 0.622 | 79% | 0.788 | S | S | * | * | trans | -86 | 85.3 | 177.8 | -159.9 | 0 | 0 | 0 | 0 | 111.2 | D253 H257 | D253-S255 VanDerWaalsContact C-N 3.32Å; D253-S255 PolarHBondContact O-N 3.47Å; S255-H257 PolarHBondContact O-N 3.34Å; S255-H257 VanDerWaalsContact O-N 3.14Å; S255-H257 PolarHBondContact O-ND1 3.23Å | ||
| 256 | I | 59 | Low | 44.7 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 63% | 0.631 | 78% | 0.777 | S | S | * | * | trans | -61.7 | 114.8 | 172.6 | -62.9 | 174.1 | 0 | 0 | 0 | 108.7 | F254 | F254-I256 PolarHBondContact O-N 3.3Š| ||
| 257 | H | 56 | Low | 45 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | trans | -89.8 | 144.6 | 170.5 | -72.4 | 54 | 0 | 0 | 0 | 109.1 | S255 E259 D260 | S255-H257 PolarHBondContact O-N 3.34Å; S255-H257 VanDerWaalsContact O-N 3.14Å; S255-H257 PolarHBondContact O-ND1 3.23Å; H257-E259 PolarHBondContact O-N 2.87Å; H257-D260 PolarHBondContact O-N 3.3Å | ||
| 258 | N | 52.3 | Low | 45 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 10.5 | -166.2 | -85.1 | -2.5 | 0 | 0 | 0 | 117.5 | ||
| 259 | E | 58.4 | Low | 45.1 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.2 | -5.2 | -178.1 | -61.9 | -80.7 | 135.9 | 0 | 0 | 112.7 | H257 F261 | H257-E259 PolarHBondContact O-N 2.87Å; E259-F261 PolarHBondContact O-N 2.77Å |
| 260 | D | 53.3 | Low | 45 | Very low | 131 Ų | 131 | 146 Ų | 146 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -85.3 | 42.7 | -173.3 | -159.1 | 22.2 | 0 | 0 | 0 | 113.9 | H257 | H257-D260 PolarHBondContact O-N 3.3Š| ||
| 261 | F | 54.7 | Low | 44.8 | Very low | 174 Ų | 174 | 144 Ų | 144 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -138.4 | 113.4 | 167.9 | -88.5 | -84.7 | 0 | 0 | 0 | 109.7 | E259 A263 | E259-F261 PolarHBondContact O-N 2.77Å; F261-A263 PolarHBondContact O-N 3Å; F261-A263 VanDerWaalsContact O-N 3.16Å |
| 262 | P | 57.7 | Low | 44.4 | Very low | 122 Ų | 122 | 149 Ų | 149 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 117.8 | 175.5 | 26.7 | -32.7 | 0 | 0 | 0 | 110 | L264 | P262-L264 PolarHBondContact O-N 2.97Š|
| 263 | A | 48.5 | Very low | 43.7 | Very low | 99 Ų | 99 | 147.3 Ų | 147.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62 | 134.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | F261 | F261-A263 PolarHBondContact O-N 3Å; F261-A263 VanDerWaalsContact O-N 3.16Å |
| 264 | L | 46.3 | Very low | 43.9 | Very low | 162 Ų | 162 | 146.1 Ų | 146.1 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 148.6 | 176.4 | -68.7 | 167.8 | 0 | 0 | 0 | 111.3 | P262 G266 | P262-L264 PolarHBondContact O-N 2.97Å; L264-G266 PolarHBondContact O-N 3.23Å; L264-G266 VanDerWaalsContact O-N 3.13Å |
| 265 | P | 35.8 | Very low | 43.2 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | trans | -65.1 | 114.2 | -174.5 | -20.7 | 33 | 0 | 0 | 0 | 113 | ||||
| 266 | G | 37.2 | Very low | 42.3 | Very low | 59 Ų | 59 | 141.9 Ų | 141.9 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -78 | 151.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L264 | L264-G266 PolarHBondContact O-N 3.23Å; L264-G266 VanDerWaalsContact O-N 3.13Å |
| 267 | P | 41.6 | Very low | 41 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 132.7 | -179.7 | 28.8 | -33.8 | 0 | 0 | 0 | 112.4 | Y269 | P267-Y269 PolarHBondContact O-N 3.23Š|
| 268 | N | 30.8 | Very low | 39.8 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 124.9 | -178.8 | -75.5 | -41.9 | 0 | 0 | 0 | 113.3 | ||
| 269 | Y | 35.1 | Very low | 38.8 | Very low | 211 Ų | 211 | 141.9 Ų | 141.9 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -125.7 | 119.3 | 155 | -74.4 | -80.4 | 0 | 0 | 0 | 109.3 | P267 | P267-Y269 PolarHBondContact O-N 3.23Š| ||
| 270 | Q | 33 | Very low | 37.6 | Very low | 197 Ų | 197 | 138.9 Ų | 138.9 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -79 | 124 | 173 | -69.5 | 179.9 | -5.7 | 0 | 0 | 109.8 | ||||
| 271 | T | 30.4 | Very low | 36.4 | Very low | 140 Ų | 140 | 139 Ų | 139 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | -141.1 | 139.1 | 158.2 | -37.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 272 | K | 29.8 | Very low | 35.4 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | -88.2 | 137.5 | -178.3 | -65.3 | 173.3 | 177.1 | 175.9 | 0 | 110.8 | ||||
| 273 | D | 28.7 | Very low | 34 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -60.4 | 169.3 | 156.8 | -82.8 | -42.3 | 0 | 0 | 0 | 111.9 | ||||
| 274 | P | 43.7 | Very low | 33.2 | Very low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | cis | -140.4 | 174.8 | 19.5 | 40.3 | -21.5 | 0 | 0 | 0 | 117.6 | ||||
| 275 | S | 27.6 | Very low | 32.5 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | 144.1 | 128.3 | 114.5 | 70.8 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 276 | S | 29.5 | Very low | 32.3 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | trans | 58.7 | 124 | 144 | 60.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 277 | D | 30.4 | Very low | 32 | Very low | 155 Ų | 155 | 143 Ų | 143 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | 26.4 | 140.4 | 127.6 | -45.9 | -35.2 | 0 | 0 | 0 | 119.7 | |||||
| 278 | D | 30.2 | Very low | 31.4 | Very low | 124 Ų | 124 | 142 Ų | 142 | 66% | 0.663 | 79% | 0.794 | S | S | * | * | -173.2 | 165.2 | 50.1 | -158 | 7.5 | 0 | 0 | 0 | 113.8 | |||||
| 279 | K | 33 | Very low | 31.4 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 65% | 0.648 | 80% | 0.795 | S | S | * | * | trans | 9.2 | 128.9 | 159.3 | -78.4 | 175.4 | -147 | 84 | 0 | 126.6 | ||||
| 280 | T | 33 | Very low | 31.4 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | 70.4 | 137.1 | 123.5 | 66.6 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 281 | N | 28.3 | Very low | 31.4 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | 94.4 | 104.1 | 134.6 | -89.1 | -10 | 0 | 0 | 0 | 123.8 | ||||
| 282 | L | 33.2 | Very low | 32.1 | Very low | 151 Ų | 151 | 130.8 Ų | 130.8 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | 61.3 | 116.1 | 119.4 | -75.2 | 174.8 | 0 | 0 | 0 | 122.9 | |||||
| 283 | N | 28.6 | Very low | 32.5 | Very low | 148 Ų | 148 | 127.6 Ų | 127.6 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | 96.7 | 114 | 123.7 | -161.7 | 28.1 | 0 | 0 | 0 | 120.1 | |||||
| 284 | S | 30.8 | Very low | 33.6 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -163.1 | 153.8 | 130.8 | 60.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 285 | S | 32.9 | Very low | 33.5 | Very low | 122 Ų | 122 | 123.3 Ų | 123.3 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -99.8 | 143.6 | -172.2 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 286 | G | 31 | Very low | 34.4 | Very low | 81 Ų | 81 | 124.8 Ų | 124.8 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -154.3 | 131.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 287 | K | 30.2 | Very low | 34.9 | Very low | 209 Ų | 209 | 128.7 Ų | 128.7 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -72.5 | 142 | -166.3 | -73.5 | 171.6 | 173.7 | 173 | 0 | 115.7 | ||||
| 288 | A | 28.8 | Very low | 35.2 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | trans | 54.1 | 117.5 | 135.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 289 | S | 31.1 | Very low | 36.1 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | -163.9 | 152 | 112.2 | 45.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 290 | S | 35 | Very low | 36.7 | Very low | 115 Ų | 115 | 124.3 Ų | 124.3 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -89.2 | 124.2 | -179.3 | 51.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 291 | S | 34.2 | Very low | 37.6 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -155.9 | 131.2 | 157.5 | -82.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 292 | A | 44.8 | Very low | 38.3 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | trans | -83.9 | 119.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 293 | D | 37.3 | Very low | 38.6 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -145.2 | 138 | 160.9 | -153.4 | 3.4 | 0 | 0 | 0 | 108.5 | K296 | D293-K296 IonicContact OD2-NZ 3.33Š| ||
| 294 | G | 51.8 | Low | 38.9 | Very low | 50 Ų | 50 | 123.1 Ų | 123.1 | 52% | 0.515 | 79% | 0.793 | S | S | . | * | P | Polyproline II helix | trans | -80.8 | 172.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K296 | G294-K296 PolarHBondContact O-N 3.06Å; G294-K296 VanDerWaalsContact O-N 3.12Å |
| 295 | P | 41.9 | Very low | 39.6 | Very low | 127 Ų | 127 | 124 Ų | 124 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 117.2 | 175.2 | 26.5 | -33.1 | 0 | 0 | 0 | 110.4 | ||
| 296 | K | 46.7 | Very low | 39.9 | Very low | 134 Ų | 134 | 123.8 Ų | 123.8 | 58% | 0.583 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 119.4 | -169.1 | -155 | 160.2 | -167.3 | 148.4 | 0 | 110.9 | D293 G294 D300 | D293-K296 IonicContact OD2-NZ 3.33Å; G294-K296 PolarHBondContact O-N 3.06Å; G294-K296 VanDerWaalsContact O-N 3.12Å; K296-D300 WeakPolarHBondContact CE-OD2 3.49Å; K296-D300 IonicContact NZ-OD2 3.55Å |
| 297 | F | 40.7 | Very low | 40.4 | Very low | 179 Ų | 179 | 127.5 Ų | 127.5 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 152.5 | 178.9 | -75.6 | -91.7 | 0 | 0 | 0 | 112.1 | G299 | F297-G299 PolarHBondContact O-N 3.33Š|
| 298 | P | 35.9 | Very low | 41.1 | Very low | 139 Ų | 139 | 124.7 Ų | 124.7 | 90% | 0.903 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 101.6 | 179.6 | -21.1 | 33.9 | 0 | 0 | 0 | 112.4 | ||
| 299 | G | 49.6 | Very low | 41.7 | Very low | 72 Ų | 72 | 127.7 Ų | 127.7 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -178.6 | -29 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | F297 K301 | F297-G299 PolarHBondContact O-N 3.33Å; G299-K301 PolarHBondContact O-N 3.2Å |
| 300 | D | 44.5 | Very low | 42.9 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 67% | 0.674 | 79% | 0.792 | S | S | * | * | trans | -76.2 | 102.6 | -179 | -96.8 | -6.9 | 0 | 0 | 0 | 113 | K296 | K296-D300 WeakPolarHBondContact CE-OD2 3.49Å; K296-D300 IonicContact NZ-OD2 3.55Å | ||
| 301 | K | 52.1 | Low | 43.7 | Very low | 207 Ų | 207 | 132.7 Ų | 132.7 | 90% | 0.9 | 79% | 0.79 | S | S | * | * | trans | -136.4 | 126.1 | 155.7 | -74.9 | -168.7 | 177.5 | -178.9 | 0 | 110.6 | G299 | G299-K301 PolarHBondContact O-N 3.2Š| ||
| 302 | S | 42.3 | Very low | 44.6 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -82.9 | 143 | 179.9 | 44.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 303 | S | 40.6 | Very low | 45.5 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 52.3 | 99.8 | 152.9 | 59.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 304 | A | 34.9 | Very low | 47 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | -149.9 | 138.6 | 139 | 0 | 0 | 0 | 0 | 0 | 109.2 | S306 | A304-S306 PolarHBondContact O-N 3.37Š| ||
| 305 | P | 46.1 | Very low | 48.3 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -86.3 | 102.2 | -178.3 | 32.9 | -31.6 | 0 | 0 | 0 | 111.2 | ||||
| 306 | S | 37.8 | Very low | 49.9 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -136.7 | 134.8 | 166.3 | -77.9 | 0 | 0 | 0 | 0 | 110.2 | A304 | A304-S306 PolarHBondContact O-N 3.37Š| ||
| 307 | N | 41.2 | Very low | 51.2 | Low | 159 Ų | 159 | 127.3 Ų | 127.3 | 85% | 0.85 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -60.8 | 158.1 | -178.2 | -89.7 | -33.3 | 0 | 0 | 0 | 113 | ||
| 308 | N | 45.9 | Very low | 53 | Low | 150 Ų | 150 | 122.5 Ų | 122.5 | 80% | 0.802 | 70% | 0.7 | S | S | * | * | trans | 61.6 | 78.7 | 170.2 | -64.8 | -11.1 | 0 | 0 | 0 | 115.8 | ||||
| 309 | N | 42.1 | Very low | 54.6 | Low | 159 Ų | 159 | 122.5 Ų | 122.5 | 85% | 0.85 | 70% | 0.7 | S | S | * | * | -148.6 | 129.6 | 125.2 | -102.2 | -43.3 | 0 | 0 | 0 | 110.1 | Q311 | N309-Q311 PolarHBondContact O-N 2.67Š| |||
| 310 | Q | 55.1 | Low | 55.5 | Low | 186 Ų | 186 | 123.8 Ų | 123.8 | 87% | 0.869 | 69% | 0.69 | S | S | * | * | trans | -61.1 | 107.6 | 168.1 | -70.9 | 172 | -11.1 | 0 | 0 | 107.2 | K312 | Q310-K312 PolarHBondContact O-N 3.06Š| ||
| 311 | Q | 52.3 | Low | 56.6 | Low | 161 Ų | 161 | 119 Ų | 119 | 75% | 0.752 | 67% | 0.671 | S | S | * | * | trans | -54 | 114.6 | 162.8 | -73.8 | 179.8 | -25.9 | 0 | 0 | 106.3 | N309 K313 | N309-Q311 PolarHBondContact O-N 2.67Å; Q311-K313 PolarHBondContact O-N 2.75Å | ||
| 312 | K | 53 | Low | 57.8 | Low | 209 Ų | 209 | 117.4 Ų | 117.4 | 91% | 0.909 | 66% | 0.659 | S | S | * | * | trans | -68.2 | 69 | 168.7 | -72.3 | -176.8 | 177.9 | 179 | 0 | 108.4 | Q310 G314 | Q310-K312 PolarHBondContact O-N 3.06Å; K312-G314 PolarHBondContact O-N 3.26Å | ||
| 313 | K | 63.3 | Low | 59.6 | Low | 122 Ų | 122 | 113.2 Ų | 113.2 | 53% | 0.53 | 63% | 0.629 | S | S | . | * | trans | -52.3 | 126.8 | 155.8 | -65.9 | -173.7 | 177.7 | -175.3 | 0 | 105.2 | Q311 Q316 | Q311-K313 PolarHBondContact O-N 2.75Å; K313-Q316 HydrophobicContact CB-CG 4.43Å; K313-Q316 VanDerWaalsContact CD-OE1 3.29Å | ||
| 314 | G | 70 | Confident | 61.5 | Low | 51 Ų | 51 | 110 Ų | 110 | 53% | 0.526 | 61% | 0.605 | S | S | . | * | trans | -63.7 | -166.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K312 Q316 | K312-G314 PolarHBondContact O-N 3.26Å; G314-Q316 PolarHBondContact O-N 3.41Å | ||
| 315 | I | 78.6 | Confident | 63.8 | Low | 69 Ų | 69 | 110.2 Ų | 110.2 | 35% | 0.354 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -50.1 | 113.2 | 176 | -58.1 | 175 | 0 | 0 | 0 | 109.1 | V323 M330 L341 | I315-V323 HydrophobicContact CG2-CG1 3.25Å; I315-M330 HydrophobicContact CD1-CE 3.66Å; I315-M330 HydrophobicContact CD1-SD 3.65Å; I315-L341 HydrophobicContact CG2-CD2 4.19Å |
| 316 | Q | 75.6 | Confident | 65.5 | Low | 68 Ų | 68 | 106 Ų | 106 | 32% | 0.318 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 117.8 | -177.6 | -89.6 | 170.1 | 104.2 | 0 | 0 | 109 | K313 G314 T324 N325 | K313-Q316 HydrophobicContact CB-CG 4.43Å; K313-Q316 VanDerWaalsContact CD-OE1 3.29Å; G314-Q316 PolarHBondContact O-N 3.41Å; Q316-T324 PolarHBondContact N-O 3.46Å; Q316-T324 PolarHBondContact O-N 3.43Å; Q316-T324 PolarHBondContact O-OG1 3.5Å; Q316-T324 VanDerWaalsContact O-OG1 3.08Å; Q316-N325 PolarHBondContact NE2-ND2 2.89Å |
| 317 | V | 74.3 | Confident | 67.6 | Low | 45 Ų | 45 | 104 Ų | 104 | 27% | 0.273 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.8 | 171.8 | -165 | 0 | 0 | 0 | 0 | 108.7 | V323 L341 R345 | V317-V323 HydrophobicContact CG1-CG2 4.25Å; V317-V323 HydrophobicContact CG2-CG2 4.19Å; V317-L341 HydrophobicContact CG2-CD1 4.26Å; V317-L341 HydrophobicContact CG2-CD2 3.37Å; V317-L341 HydrophobicContact CG2-CG 3.7Å; V317-R345 HydrophobicContact CG1-CG 4.21Å |
| 318 | L | 77.4 | Confident | 69.2 | Low | 77 Ų | 77 | 103.9 Ų | 103.9 | 40% | 0.403 | 55% | 0.551 | S | S | . | * | trans | -83.2 | 157 | 174.5 | -72.2 | 152.4 | 0 | 0 | 0 | 110.2 | D320 G321 R322 T324 | L318-D320 WeakPolarHBondContact CB-OD1 3.46Å; L318-D320 PolarHBondContact O-N 3.49Å; L318-G321 PolarHBondContact O-N 3.49Å; L318-R322 WeakPolarHBondContact CB-O 3.48Å; L318-R322 HydrophobicContact CD1-CB 4.07Å; L318-R322 PolarHBondContact N-O 3.1Å; L318-T324 HydrophobicContact CD1-CG2 3.62Å | ||
| 319 | P | 68.9 | Low | 71 | Confident | 139 Ų | 139 | 100.9 Ų | 100.9 | 90% | 0.903 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -12 | 177.3 | -23.8 | 34.8 | 0 | 0 | 0 | 115.1 | G321 | P319-G321 VanDerWaalsContact C-N 3.29Š|
| 320 | D | 69.3 | Low | 72.9 | Confident | 99 Ų | 99 | 96 Ų | 96 | 53% | 0.529 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 10.1 | 174 | 71.4 | -14.7 | 0 | 0 | 0 | 113.1 | L318 R322 | L318-D320 WeakPolarHBondContact CB-OD1 3.46Å; L318-D320 PolarHBondContact O-N 3.49Å; D320-R322 PolarHBondContact O-N 2.98Å; D320-R322 VanDerWaalsContact OD1-CB 3.29Å; D320-R322 WeakPolarHBondContact OD1-CB 3.35Å; D320-R322 WeakPolarHBondContact OD1-CG 3.45Å; D320-R322 PolarHBondContact OD1-N 2.94Å; D320-R322 WeakPolarHBondContact OD2-CD 3.45Å; D320-R322 WeakPolarHBondContact OD2-CG 3.38Å; D320-R322 IonicContact OD2-NE 2.72Å; D320-R322 PolarHBondContact OD2-NE 3.44Å |
| 321 | G | 68.2 | Low | 74.4 | Confident | 27 Ų | 27 | 90.7 Ų | 90.7 | 28% | 0.278 | 51% | 0.509 | S | S | . | . | S | Bend | trans | 78.1 | -1.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L318 P319 | L318-G321 PolarHBondContact O-N 3.49Å; P319-G321 VanDerWaalsContact C-N 3.29Å |
| 322 | R | 76.4 | Confident | 76 | Confident | 173 Ų | 173 | 87.9 Ų | 87.9 | 65% | 0.653 | 50% | 0.503 | S | S | * | . | trans | -78.4 | 134.1 | 179.5 | -63.6 | -176.1 | -176.2 | -161.6 | -2.8 | 111.4 | L318 D320 | L318-R322 WeakPolarHBondContact CB-O 3.48Å; L318-R322 HydrophobicContact CD1-CB 4.07Å; L318-R322 PolarHBondContact N-O 3.1Å; D320-R322 PolarHBondContact O-N 2.98Å; D320-R322 VanDerWaalsContact OD1-CB 3.29Å; D320-R322 WeakPolarHBondContact OD1-CB 3.35Å; D320-R322 WeakPolarHBondContact OD1-CG 3.45Å; D320-R322 PolarHBondContact OD1-N 2.94Å; D320-R322 WeakPolarHBondContact OD2-CD 3.45Å; D320-R322 WeakPolarHBondContact OD2-CG 3.38Å; D320-R322 IonicContact OD2-NE 2.72Å; D320-R322 PolarHBondContact OD2-NE 3.44Å | ||
| 323 | V | 80 | Confident | 77.5 | Confident | 23 Ų | 23 | 81.7 Ų | 81.7 | 14% | 0.139 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 127.1 | 178.2 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | I315 V317 I326 I338 T342 | I315-V323 HydrophobicContact CG2-CG1 3.25Å; V317-V323 HydrophobicContact CG1-CG2 4.25Å; V317-V323 HydrophobicContact CG2-CG2 4.19Å; V323-I326 HydrophobicContact CB-CD1 4.36Å; V323-I326 HydrophobicContact CG1-CD1 4.19Å; V323-I326 HydrophobicContact CG1-CG1 4.07Å; V323-I338 HydrophobicContact CB-CG2 3.86Å; V323-I338 HydrophobicContact CG1-CG1 4.18Å; V323-I338 HydrophobicContact CG1-CG2 4.05Å; V323-I338 HydrophobicContact CG2-CG2 4.01Å; V323-T342 WeakPolarHBondContact CG2-OG1 3.44Å |
| 324 | T | 81.4 | Confident | 78.5 | Confident | 50 Ų | 50 | 83 Ų | 83 | 31% | 0.307 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 164.9 | -175.3 | 61.3 | 0 | 0 | 0 | 0 | 111.5 | Q316 L318 I326 | Q316-T324 PolarHBondContact N-O 3.46Å; Q316-T324 PolarHBondContact O-N 3.43Å; Q316-T324 PolarHBondContact O-OG1 3.5Å; Q316-T324 VanDerWaalsContact O-OG1 3.08Å; L318-T324 HydrophobicContact CD1-CG2 3.62Å; T324-I326 VanDerWaalsContact C-N 3.29Å; T324-I326 PolarHBondContact O-N 3.39Å |
| 325 | N | 82.3 | Confident | 79.5 | Confident | 94 Ų | 94 | 88.8 Ų | 88.8 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | trans | 60.6 | 39 | -176.7 | -53.7 | -84.5 | 0 | 0 | 0 | 112.6 | Q316 | Q316-N325 PolarHBondContact NE2-ND2 2.89Š| ||
| 326 | I | 81.6 | Confident | 80 | Confident | 49 Ų | 49 | 86 Ų | 86 | 25% | 0.251 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 125.5 | 174.7 | -63.6 | 162.8 | 0 | 0 | 0 | 108.9 | V323 T324 M330 T332 I338 | V323-I326 HydrophobicContact CB-CD1 4.36Å; V323-I326 HydrophobicContact CG1-CD1 4.19Å; V323-I326 HydrophobicContact CG1-CG1 4.07Å; T324-I326 VanDerWaalsContact C-N 3.29Å; T324-I326 PolarHBondContact O-N 3.39Å; I326-M330 HydrophobicContact CG2-CB 3.96Å; I326-M330 HydrophobicContact CG2-CG 4.37Å; I326-M330 HydrophobicContact CG2-SD 4.26Å; I326-T332 HydrophobicContact CD1-CG2 4.25Å; I326-T332 HydrophobicContact CG2-CG2 3.89Å; I326-I338 HydrophobicContact CB-CD1 4.17Å; I326-I338 HydrophobicContact CD1-CD1 3.77Å; I326-I338 HydrophobicContact CD1-CG1 4.2Å; I326-I338 HydrophobicContact CD1-CG2 4.19Å; I326-I338 HydrophobicContact CG1-CD1 3.67Å; I326-I338 HydrophobicContact CG1-CG1 4.13Å; I326-I338 HydrophobicContact CG2-CD1 3.45Å; I326-I338 VanDerWaalsContact CG2-CD1 3.45Å |
| 327 | P | 82.3 | Confident | 80.6 | Confident | 75 Ų | 75 | 89 Ų | 89 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 140.5 | 176.1 | -24.7 | 35.1 | 0 | 0 | 0 | 112.9 | G329 M330 | P327-G329 PolarHBondContact O-N 2.95Å; P327-M330 VanDerWaalsContact O-CB 3.28Å; P327-M330 WeakPolarHBondContact O-CB 3.44Å; P327-M330 PolarHBondContact O-N 3.19Å; P327-M330 VanDerWaalsContact O-N 3.1Å |
| 328 | V | 76 | Confident | 81.1 | Confident | 155 Ų | 155 | 87.3 Ų | 87.3 | 94% | 0.939 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 129.3 | 172.8 | -69.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 329 | G | 82.6 | Confident | 81.6 | Confident | 87 Ų | 87 | 84.3 Ų | 84.3 | 90% | 0.897 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.9 | -6.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115 | P327 | P327-G329 PolarHBondContact O-N 2.95Š|
| 330 | M | 82.2 | Confident | 82.5 | Confident | 56 Ų | 56 | 81.6 Ų | 81.6 | 28% | 0.276 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -82.7 | 141.7 | 171.4 | -169.6 | 172.4 | -177.9 | 0 | 0 | 111.4 | I315 I326 P327 T332 M337 I338 | I315-M330 HydrophobicContact CD1-CE 3.66Å; I315-M330 HydrophobicContact CD1-SD 3.65Å; I326-M330 HydrophobicContact CG2-CB 3.96Å; I326-M330 HydrophobicContact CG2-CG 4.37Å; I326-M330 HydrophobicContact CG2-SD 4.26Å; P327-M330 VanDerWaalsContact O-CB 3.28Å; P327-M330 WeakPolarHBondContact O-CB 3.44Å; P327-M330 PolarHBondContact O-N 3.19Å; P327-M330 VanDerWaalsContact O-N 3.1Å; M330-T332 PolarHBondContact O-N 2.91Å; M330-M337 HydrophobicContact CE-CB 3.67Å; M330-I338 HydrophobicContact CE-CD1 3.71Å; M330-I338 HydrophobicContact CE-CG1 3.92Å; M330-I338 HydrophobicContact CG-CD1 3.87Å; M330-I338 HydrophobicContact SD-CD1 3.61Å; M330-I338 HydrophobicContact SD-CG1 4.35Å |
| 331 | V | 87.6 | Confident | 83.3 | Confident | 76 Ų | 76 | 79.5 Ų | 79.5 | 46% | 0.461 | 45% | 0.445 | S | S | . | . | trans | -67.7 | 116.1 | 175.6 | 180 | 0 | 0 | 0 | 0 | 110 | D333 I338 | V331-D333 HydrophobicContact CG1-CB 4.48Å; V331-D333 VanDerWaalsContact CG1-CG 3.47Å; V331-D333 WeakPolarHBondContact CG1-OD1 3.27Å; V331-I338 WeakPolarHBondContact O-CD1 3.11Å | ||
| 332 | T | 84.4 | Confident | 84.1 | Confident | 102 Ų | 102 | 80.7 Ų | 80.7 | 63% | 0.626 | 45% | 0.448 | S | S | * | . | trans | -92.1 | -6.2 | -177.2 | 49.1 | 0 | 0 | 0 | 0 | 114.3 | I326 M330 | I326-T332 HydrophobicContact CD1-CG2 4.25Å; I326-T332 HydrophobicContact CG2-CG2 3.89Å; M330-T332 PolarHBondContact O-N 2.91Å | ||
| 333 | D | 85 | Confident | 84.6 | Confident | 79 Ų | 79 | 76 Ų | 76 | 42% | 0.422 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -83.9 | -178.3 | -179 | 70.1 | 34 | 0 | 0 | 0 | 113 | V331 F335 G336 | V331-D333 HydrophobicContact CG1-CB 4.48Å; V331-D333 VanDerWaalsContact CG1-CG 3.47Å; V331-D333 WeakPolarHBondContact CG1-OD1 3.27Å; D333-F335 PolarHBondContact O-N 2.89Å; D333-F335 WeakPolarHBondContact OD1-CA 3.45Å; D333-F335 WeakPolarHBondContact OD1-CB 3.18Å; D333-F335 PolarHBondContact OD1-N 3.41Å; D333-G336 PolarHBondContact O-N 3.11Å; D333-G336 PolarHBondContact OD1-N 3.34Å |
| 334 | Q | 85.3 | Confident | 85 | Confident | 149 Ų | 149 | 77.5 Ų | 77.5 | 70% | 0.696 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.2 | -179.3 | 69 | -176.8 | 23.4 | 0 | 0 | 114.7 | ||
| 335 | F | 90.4 | Very high | 85.1 | Confident | 172 Ų | 172 | 80.3 Ų | 80.3 | 75% | 0.754 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -12.5 | 179.2 | -50.4 | -73 | 0 | 0 | 0 | 112.1 | D333 | D333-F335 PolarHBondContact O-N 2.89Å; D333-F335 WeakPolarHBondContact OD1-CA 3.45Å; D333-F335 WeakPolarHBondContact OD1-CB 3.18Å; D333-F335 PolarHBondContact OD1-N 3.41Å |
| 336 | G | 89.6 | Confident | 85.1 | Confident | 10 Ų | 10 | 77.6 Ų | 77.6 | 10% | 0.103 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -78.8 | 167.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D333 I338 G339 L340 | D333-G336 PolarHBondContact O-N 3.11Å; D333-G336 PolarHBondContact OD1-N 3.34Å; G336-I338 PolarHBondContact O-N 3.49Å; G336-G339 WeakPolarHBondContact O-CA 3.21Å; G336-G339 PolarHBondContact O-N 3.13Å; G336-L340 PolarHBondContact O-N 3.26Å |
| 337 | M | 86.5 | Confident | 85.3 | Confident | 132 Ų | 132 | 75.4 Ų | 75.4 | 65% | 0.65 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59 | -21.5 | 175.6 | -68.5 | -62.4 | -63.4 | 0 | 0 | 113.6 | M330 L340 L341 | M330-M337 HydrophobicContact CE-CB 3.67Å; M337-L340 HydrophobicContact CE-CD2 4.01Å; M337-L340 HydrophobicContact SD-CD2 4.21Å; M337-L341 WeakPolarHBondContact O-CB 3.3Å; M337-L341 PolarHBondContact O-N 2.74Å; M337-L341 VanDerWaalsContact O-N 3.1Å |
| 338 | I | 86.4 | Confident | 85.4 | Confident | 10 Ų | 10 | 77.7 Ų | 77.7 | 5% | 0.051 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -71.9 | -40.9 | 172.3 | -72.3 | 140 | 0 | 0 | 0 | 111 | V323 I326 M330 V331 G336 L341 T342 | V323-I338 HydrophobicContact CB-CG2 3.86Å; V323-I338 HydrophobicContact CG1-CG1 4.18Å; V323-I338 HydrophobicContact CG1-CG2 4.05Å; V323-I338 HydrophobicContact CG2-CG2 4.01Å; I326-I338 HydrophobicContact CB-CD1 4.17Å; I326-I338 HydrophobicContact CD1-CD1 3.77Å; I326-I338 HydrophobicContact CD1-CG1 4.2Å; I326-I338 HydrophobicContact CD1-CG2 4.19Å; I326-I338 HydrophobicContact CG1-CD1 3.67Å; I326-I338 HydrophobicContact CG1-CG1 4.13Å; I326-I338 HydrophobicContact CG2-CD1 3.45Å; I326-I338 VanDerWaalsContact CG2-CD1 3.45Å; M330-I338 HydrophobicContact CE-CD1 3.71Å; M330-I338 HydrophobicContact CE-CG1 3.92Å; M330-I338 HydrophobicContact CG-CD1 3.87Å; M330-I338 HydrophobicContact SD-CD1 3.61Å; M330-I338 HydrophobicContact SD-CG1 4.35Å; V331-I338 WeakPolarHBondContact O-CD1 3.11Å; G336-I338 PolarHBondContact O-N 3.49Å; I338-L341 PolarHBondContact O-N 2.76Å; I338-T342 WeakPolarHBondContact O-CB 3.3Å; I338-T342 PolarHBondContact O-N 2.97Å; I338-T342 PolarHBondContact O-OG1 3.45Å |
| 339 | G | 87.4 | Confident | 85.7 | Confident | 14 Ų | 14 | 76 Ų | 76 | 14% | 0.144 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -57.8 | -47.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | G336 L341 T342 F343 | G336-G339 WeakPolarHBondContact O-CA 3.21Å; G336-G339 PolarHBondContact O-N 3.13Å; G339-L341 PolarHBondContact O-N 2.92Å; G339-T342 PolarHBondContact O-N 3.08Å; G339-F343 WeakPolarHBondContact O-CB 3.46Å; G339-F343 PolarHBondContact O-N 3.46Å |
| 340 | L | 88.3 | Confident | 85.7 | Confident | 81 Ų | 81 | 75.4 Ų | 75.4 | 42% | 0.424 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58 | -45.4 | 175.1 | 177.7 | 61.5 | 0 | 0 | 0 | 112.5 | G336 M337 F343 I344 | G336-L340 PolarHBondContact O-N 3.26Å; M337-L340 HydrophobicContact CE-CD2 4.01Å; M337-L340 HydrophobicContact SD-CD2 4.21Å; L340-F343 WeakPolarHBondContact O-CB 3.27Å; L340-F343 PolarHBondContact O-N 2.84Å; L340-I344 HydrophobicContact CD1-CD1 4.08Å; L340-I344 HydrophobicContact CD1-CG1 4.38Å; L340-I344 HydrophobicContact CG-CD1 4.07Å; L340-I344 WeakPolarHBondContact O-CG1 3.4Å; L340-I344 PolarHBondContact O-N 2.95Å |
| 341 | L | 86.5 | Confident | 85.4 | Confident | 55 Ų | 55 | 77.3 Ų | 77.3 | 29% | 0.288 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | -180 | -178.3 | 55.6 | 0 | 0 | 0 | 112.3 | I315 V317 M337 I338 G339 F343 R345 | I315-L341 HydrophobicContact CG2-CD2 4.19Å; V317-L341 HydrophobicContact CG2-CD1 4.26Å; V317-L341 HydrophobicContact CG2-CD2 3.37Å; V317-L341 HydrophobicContact CG2-CG 3.7Å; M337-L341 WeakPolarHBondContact O-CB 3.3Å; M337-L341 PolarHBondContact O-N 2.74Å; M337-L341 VanDerWaalsContact O-N 3.1Å; I338-L341 PolarHBondContact O-N 2.76Å; G339-L341 PolarHBondContact O-N 2.92Å; L341-F343 VanDerWaalsContact C-N 3.33Å; L341-R345 WeakPolarHBondContact O-CG 3.45Å; L341-R345 PolarHBondContact O-N 3.15Å; L341-R345 VanDerWaalsContact O-N 3.14Å |
| 342 | T | 84.8 | Confident | 85 | Confident | 53 Ų | 53 | 75.7 Ų | 75.7 | 33% | 0.325 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 172.3 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | V323 I338 G339 R345 A346 | V323-T342 WeakPolarHBondContact CG2-OG1 3.44Å; I338-T342 WeakPolarHBondContact O-CB 3.3Å; I338-T342 PolarHBondContact O-N 2.97Å; I338-T342 PolarHBondContact O-OG1 3.45Å; G339-T342 PolarHBondContact O-N 3.08Å; T342-R345 PolarHBondContact O-N 3.23Å; T342-A346 WeakPolarHBondContact O-CB 3.39Å; T342-A346 PolarHBondContact O-N 3.47Å |
| 343 | F | 86.1 | Confident | 84.8 | Confident | 74 Ų | 74 | 73.7 Ų | 73.7 | 33% | 0.325 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.6 | -44 | 178.1 | -175 | -129.3 | 0 | 0 | 0 | 112.5 | G339 L340 L341 R345 A346 A347 M353 L356 A357 | G339-F343 WeakPolarHBondContact O-CB 3.46Å; G339-F343 PolarHBondContact O-N 3.46Å; L340-F343 WeakPolarHBondContact O-CB 3.27Å; L340-F343 PolarHBondContact O-N 2.84Å; L341-F343 VanDerWaalsContact C-N 3.33Å; F343-R345 VanDerWaalsContact C-N 3.29Å; F343-R345 PolarHBondContact O-N 2.98Å; F343-A346 PolarHBondContact O-N 2.88Å; F343-A347 PolarHBondContact O-N 3.39Å; F343-A347 VanDerWaalsContact O-N 3.1Å; F343-M353 HydrophobicContact CE2-CB 4.47Å; F343-M353 HydrophobicContact CE2-SD 3.78Å; F343-L356 HydrophobicContact CE1-CB 4.48Å; F343-L356 HydrophobicContact CZ-CB 3.8Å; F343-A357 HydrophobicContact CD1-CB 3.52Å; F343-A357 HydrophobicContact CD2-CB 4.42Å; F343-A357 VanDerWaalsContact CE1-CA 3.42Å; F343-A357 HydrophobicContact CE1-CB 3.41Å; F343-A357 VanDerWaalsContact CE1-CB 3.41Å; F343-A357 HydrophobicContact CE2-CB 4.32Å; F343-A357 HydrophobicContact CG-CB 4.05Å; F343-A357 HydrophobicContact CZ-CB 3.84Å |
| 344 | I | 87.5 | Confident | 84.7 | Confident | 54 Ų | 54 | 72 Ų | 72 | 28% | 0.277 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 173.4 | -69.1 | 165.8 | 0 | 0 | 0 | 111.2 | L340 A347 E348 L358 | L340-I344 HydrophobicContact CD1-CD1 4.08Å; L340-I344 HydrophobicContact CD1-CG1 4.38Å; L340-I344 HydrophobicContact CG-CD1 4.07Å; L340-I344 WeakPolarHBondContact O-CG1 3.4Å; L340-I344 PolarHBondContact O-N 2.95Å; I344-A347 WeakPolarHBondContact O-CB 3.44Å; I344-A347 PolarHBondContact O-N 3.37Å; I344-E348 PolarHBondContact O-N 3.23Å; I344-L358 HydrophobicContact CG2-CD2 4.15Å |
| 345 | R | 83.8 | Confident | 84.5 | Confident | 110 Ų | 110 | 69.9 Ų | 69.9 | 42% | 0.415 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -71.3 | -36.6 | 175.6 | -70.6 | -65.2 | -173.7 | -173.9 | -8.4 | 113.3 | V317 L341 T342 F343 A347 E348 | V317-R345 HydrophobicContact CG1-CG 4.21Å; L341-R345 WeakPolarHBondContact O-CG 3.45Å; L341-R345 PolarHBondContact O-N 3.15Å; L341-R345 VanDerWaalsContact O-N 3.14Å; T342-R345 PolarHBondContact O-N 3.23Å; F343-R345 VanDerWaalsContact C-N 3.29Å; F343-R345 PolarHBondContact O-N 2.98Å; R345-A347 PolarHBondContact O-N 2.87Å; R345-E348 WeakPolarHBondContact CD-OE2 3.39Å; R345-E348 IonicContact CZ-OE1 3.37Å; R345-E348 IonicContact CZ-OE2 3.77Å; R345-E348 IonicContact NE-OE2 2.79Å; R345-E348 IonicContact NH1-OE1 3.67Å; R345-E348 PolarHBondContact NH1-OE1 2.92Å; R345-E348 IonicContact NH1-OE2 3.66Å; R345-E348 PolarHBondContact NH1-OE2 2.8Å; R345-E348 WeakPolarHBondContact O-CB 3.41Å; R345-E348 PolarHBondContact O-N 3.31Å |
| 346 | A | 83.7 | Confident | 84.3 | Confident | 36 Ų | 36 | 67.6 Ų | 67.6 | 30% | 0.298 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.6 | -38.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T342 F343 E348 T349 D350 | T342-A346 WeakPolarHBondContact O-CB 3.39Å; T342-A346 PolarHBondContact O-N 3.47Å; F343-A346 PolarHBondContact O-N 2.88Å; A346-E348 VanDerWaalsContact C-N 3.29Å; A346-E348 PolarHBondContact O-N 2.82Å; A346-T349 CarbonylContact O-C 3.6Å; A346-T349 WeakPolarHBondContact O-CA 3.32Å; A346-T349 PolarHBondContact O-N 2.89Å; A346-T349 PolarHBondContact O-OG1 3Å; A346-D350 PolarHBondContact O-N 2.63Å |
| 347 | A | 84.8 | Confident | 84.1 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 3% | 0.025 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.7 | -24.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F343 I344 R345 T349 M353 V354 A357 L358 | F343-A347 PolarHBondContact O-N 3.39Å; F343-A347 VanDerWaalsContact O-N 3.1Å; I344-A347 WeakPolarHBondContact O-CB 3.44Å; I344-A347 PolarHBondContact O-N 3.37Å; R345-A347 PolarHBondContact O-N 2.87Å; A347-T349 PolarHBondContact O-N 3.24Å; A347-M353 HydrophobicContact CB-CB 4.18Å; A347-V354 HydrophobicContact CB-CG2 4.33Å; A347-V354 WeakPolarHBondContact O-CG2 3.27Å; A347-A357 HydrophobicContact CB-CB 3.74Å; A347-L358 HydrophobicContact CB-CD1 4.05Å; A347-L358 HydrophobicContact CB-CG 4.33Å |
| 348 | E | 84.1 | Confident | 84.1 | Confident | 123 Ų | 123 | 67 Ų | 67 | 58% | 0.575 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -68 | -19.2 | 170.5 | -61 | 178.4 | 155.3 | 0 | 0 | 112.2 | I344 R345 A346 | I344-E348 PolarHBondContact O-N 3.23Å; R345-E348 WeakPolarHBondContact CD-OE2 3.39Å; R345-E348 IonicContact CZ-OE1 3.37Å; R345-E348 IonicContact CZ-OE2 3.77Å; R345-E348 IonicContact NE-OE2 2.79Å; R345-E348 IonicContact NH1-OE1 3.67Å; R345-E348 PolarHBondContact NH1-OE1 2.92Å; R345-E348 IonicContact NH1-OE2 3.66Å; R345-E348 PolarHBondContact NH1-OE2 2.8Å; R345-E348 WeakPolarHBondContact O-CB 3.41Å; R345-E348 PolarHBondContact O-N 3.31Å; A346-E348 VanDerWaalsContact C-N 3.29Å; A346-E348 PolarHBondContact O-N 2.82Å |
| 349 | T | 83.1 | Confident | 84.2 | Confident | 121 Ų | 121 | 68 Ų | 68 | 74% | 0.742 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -110.8 | -24 | -177.4 | 59.5 | 0 | 0 | 0 | 0 | 114.8 | A346 A347 | A346-T349 CarbonylContact O-C 3.6Å; A346-T349 WeakPolarHBondContact O-CA 3.32Å; A346-T349 PolarHBondContact O-N 2.89Å; A346-T349 PolarHBondContact O-OG1 3Å; A347-T349 PolarHBondContact O-N 3.24Å |
| 350 | D | 81.4 | Confident | 84.2 | Confident | 73 Ų | 73 | 70.2 Ų | 70.2 | 39% | 0.39 | 40% | 0.397 | S | S | . | . | trans | -122.8 | 109.2 | -179.5 | -178.1 | 3 | 0 | 0 | 0 | 111.4 | A346 G352 M353 V354 | A346-D350 PolarHBondContact O-N 2.63Å; D350-G352 PolarHBondContact O-N 3.16Å; D350-G352 VanDerWaalsContact O-N 3.15Å; D350-G352 PolarHBondContact OD1-N 3.11Å; D350-M353 HydrophobicContact CB-CB 4.31Å; D350-M353 HydrophobicContact CB-CG 4.13Å; D350-M353 PolarHBondContact O-N 2.73Å; D350-M353 WeakPolarHBondContact OD2-CG 3.5Å; D350-V354 PolarHBondContact O-N 2.72Å | ||
| 351 | P | 76.9 | Confident | 84.3 | Confident | 97 Ų | 97 | 70.9 Ų | 70.9 | 63% | 0.63 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -54.6 | -28.3 | 174.7 | -26.5 | 35.7 | 0 | 0 | 0 | 114.7 | M353 H355 | P351-M353 VanDerWaalsContact C-N 3.3Å; P351-M353 PolarHBondContact O-N 2.77Å; P351-H355 PolarHBondContact O-ND1 2.88Å; P351-H355 VanDerWaalsContact O-ND1 3.14Å |
| 352 | G | 77.9 | Confident | 84.4 | Confident | 42 Ų | 42 | 73.2 Ų | 73.2 | 43% | 0.433 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.6 | -30.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | D350 | D350-G352 PolarHBondContact O-N 3.16Å; D350-G352 VanDerWaalsContact O-N 3.15Å; D350-G352 PolarHBondContact OD1-N 3.11Å |
| 353 | M | 80.5 | Confident | 84.6 | Confident | 59 Ų | 59 | 75 Ų | 75 | 29% | 0.291 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -87.6 | -21.3 | 178.9 | -63.8 | -63.4 | 100.4 | 0 | 0 | 113.2 | F343 A347 D350 P351 H355 L356 A357 | F343-M353 HydrophobicContact CE2-CB 4.47Å; F343-M353 HydrophobicContact CE2-SD 3.78Å; A347-M353 HydrophobicContact CB-CB 4.18Å; D350-M353 HydrophobicContact CB-CB 4.31Å; D350-M353 HydrophobicContact CB-CG 4.13Å; D350-M353 PolarHBondContact O-N 2.73Å; D350-M353 WeakPolarHBondContact OD2-CG 3.5Å; P351-M353 VanDerWaalsContact C-N 3.3Å; P351-M353 PolarHBondContact O-N 2.77Å; M353-H355 VanDerWaalsContact C-N 3.31Å; M353-H355 PolarHBondContact O-N 3.48Å; M353-L356 HydrophobicContact CE-CD1 3.96Å; M353-L356 PolarHBondContact O-N 3.13Å; M353-L356 VanDerWaalsContact O-N 3.08Å; M353-L356 HydrophobicContact SD-CD1 4.47Å; M353-A357 WeakPolarHBondContact O-CB 3.33Å; M353-A357 PolarHBondContact O-N 3.17Å |
| 354 | V | 83.7 | Confident | 84.7 | Confident | 45 Ų | 45 | 76.3 Ų | 76.3 | 27% | 0.273 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -49.1 | -52.5 | 174.6 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | A347 D350 L356 A357 L358 G359 | A347-V354 HydrophobicContact CB-CG2 4.33Å; A347-V354 WeakPolarHBondContact O-CG2 3.27Å; D350-V354 PolarHBondContact O-N 2.72Å; V354-L356 PolarHBondContact O-N 3.33Å; V354-L356 VanDerWaalsContact O-N 3.15Å; V354-A357 PolarHBondContact O-N 2.87Å; V354-L358 HydrophobicContact CG1-CB 4.42Å; V354-L358 HydrophobicContact CG1-CD1 4.33Å; V354-L358 WeakPolarHBondContact O-CA 3.5Å; V354-L358 WeakPolarHBondContact O-CB 3.47Å; V354-L358 PolarHBondContact O-N 3.27Å; V354-G359 PolarHBondContact O-N 3.37Å |
| 355 | H | 81.4 | Confident | 84.6 | Confident | 103 Ų | 103 | 76.7 Ų | 76.7 | 48% | 0.477 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.6 | -24.4 | -177 | -64.6 | 83.9 | 0 | 0 | 0 | 113.8 | P351 M353 G359 S360 | P351-H355 PolarHBondContact O-ND1 2.88Å; P351-H355 VanDerWaalsContact O-ND1 3.14Å; M353-H355 VanDerWaalsContact C-N 3.31Å; M353-H355 PolarHBondContact O-N 3.48Å; H355-G359 WeakPolarHBondContact O-CA 3.44Å; H355-S360 PolarHBondContact CD2-OG 2.9Å |
| 356 | L | 86 | Confident | 84.7 | Confident | 125 Ų | 125 | 73.1 Ų | 73.1 | 65% | 0.654 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -99 | -32.5 | -178.5 | -63.3 | 174.5 | 0 | 0 | 0 | 113.1 | F343 M353 V354 | F343-L356 HydrophobicContact CE1-CB 4.48Å; F343-L356 HydrophobicContact CZ-CB 3.8Å; M353-L356 HydrophobicContact CE-CD1 3.96Å; M353-L356 PolarHBondContact O-N 3.13Å; M353-L356 VanDerWaalsContact O-N 3.08Å; M353-L356 HydrophobicContact SD-CD1 4.47Å; V354-L356 PolarHBondContact O-N 3.33Å; V354-L356 VanDerWaalsContact O-N 3.15Å |
| 357 | A | 84.4 | Confident | 84.9 | Confident | 24 Ų | 24 | 74.2 Ų | 74.2 | 20% | 0.198 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -94.8 | -42.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | F343 A347 M353 V354 | F343-A357 HydrophobicContact CD1-CB 3.52Å; F343-A357 HydrophobicContact CD2-CB 4.42Å; F343-A357 VanDerWaalsContact CE1-CA 3.42Å; F343-A357 HydrophobicContact CE1-CB 3.41Å; F343-A357 VanDerWaalsContact CE1-CB 3.41Å; F343-A357 HydrophobicContact CE2-CB 4.32Å; F343-A357 HydrophobicContact CG-CB 4.05Å; F343-A357 HydrophobicContact CZ-CB 3.84Å; A347-A357 HydrophobicContact CB-CB 3.74Å; M353-A357 WeakPolarHBondContact O-CB 3.33Å; M353-A357 PolarHBondContact O-N 3.17Å; V354-A357 PolarHBondContact O-N 2.87Å |
| 358 | L | 87.8 | Confident | 85.2 | Confident | 105 Ų | 105 | 78.6 Ų | 78.6 | 55% | 0.55 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -22.1 | -178.7 | -65.7 | 166.7 | 0 | 0 | 0 | 111.5 | I344 A347 V354 | I344-L358 HydrophobicContact CG2-CD2 4.15Å; A347-L358 HydrophobicContact CB-CD1 4.05Å; A347-L358 HydrophobicContact CB-CG 4.33Å; V354-L358 HydrophobicContact CG1-CB 4.42Å; V354-L358 HydrophobicContact CG1-CD1 4.33Å; V354-L358 WeakPolarHBondContact O-CA 3.5Å; V354-L358 WeakPolarHBondContact O-CB 3.47Å; V354-L358 PolarHBondContact O-N 3.27Å |
| 359 | G | 87.9 | Confident | 85.4 | Confident | 32 Ų | 32 | 77.1 Ų | 77.1 | 33% | 0.33 | 46% | 0.457 | S | S | . | . | trans | 80.1 | -163.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V354 H355 | V354-G359 PolarHBondContact O-N 3.37Å; H355-G359 WeakPolarHBondContact O-CA 3.44Å | ||
| 360 | S | 88.2 | Confident | 85.9 | Confident | 60 Ų | 60 | 78.3 Ų | 78.3 | 42% | 0.42 | 46% | 0.459 | S | S | . | . | trans | -142.7 | 149.5 | 177.2 | -52.1 | 0 | 0 | 0 | 0 | 109.4 | H355 L362 | H355-S360 PolarHBondContact CD2-OG 2.9Å; S360-L362 PolarHBondContact O-N 3.23Å | ||
| 361 | D | 89.8 | Confident | 86.3 | Confident | 95 Ų | 95 | 76.5 Ų | 76.5 | 51% | 0.508 | 45% | 0.452 | S | S | . | . | trans | -70.7 | 99.1 | 175.3 | -176.8 | -7.6 | 0 | 0 | 0 | 110.1 | T363 T364 | D361-T363 VanDerWaalsContact CG-OG1 3.26Å; D361-T363 PolarHBondContact O-N 3.18Å; D361-T363 VanDerWaalsContact O-N 3.11Å; D361-T363 VanDerWaalsContact OD1-CB 3.31Å; D361-T363 WeakPolarHBondContact OD1-CB 3.48Å; D361-T363 WeakPolarHBondContact OD1-CG2 3.4Å; D361-T363 PolarHBondContact OD1-N 2.97Å; D361-T363 PolarHBondContact OD1-OG1 2.88Å; D361-T363 PolarHBondContact OD2-OG1 3.42Å; D361-T364 HydrophobicContact CB-CG2 3.95Å; D361-T364 WeakPolarHBondContact O-CB 3.36Å; D361-T364 PolarHBondContact O-N 3.34Å; D361-T364 PolarHBondContact O-OG1 3.48Å | ||
| 362 | L | 88.2 | Confident | 87.1 | Confident | 104 Ų | 104 | 78.4 Ų | 78.4 | 55% | 0.545 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -62.1 | -18.2 | -178.3 | -55.6 | -177.9 | 0 | 0 | 0 | 113.1 | S360 T364 L365 L369 | S360-L362 PolarHBondContact O-N 3.23Å; L362-T364 PolarHBondContact O-N 3.47Å; L362-L365 HydrophobicContact CD2-CD1 3.89Å; L362-L365 WeakPolarHBondContact O-CB 3.18Å; L362-L365 PolarHBondContact O-N 3.2Å; L362-L369 HydrophobicContact CB-CD1 3.98Å |
| 363 | T | 89.1 | Confident | 87.9 | Confident | 89 Ų | 89 | 81.9 Ų | 81.9 | 55% | 0.546 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -71.8 | -21.1 | 175.9 | 73.8 | 0 | 0 | 0 | 0 | 112.5 | D361 L365 | D361-T363 VanDerWaalsContact CG-OG1 3.26Å; D361-T363 PolarHBondContact O-N 3.18Å; D361-T363 VanDerWaalsContact O-N 3.11Å; D361-T363 VanDerWaalsContact OD1-CB 3.31Å; D361-T363 WeakPolarHBondContact OD1-CB 3.48Å; D361-T363 WeakPolarHBondContact OD1-CG2 3.4Å; D361-T363 PolarHBondContact OD1-N 2.97Å; D361-T363 PolarHBondContact OD1-OG1 2.88Å; D361-T363 PolarHBondContact OD2-OG1 3.42Å; T363-L365 VanDerWaalsContact C-N 3.26Å; T363-L365 PolarHBondContact O-N 2.83Å |
| 364 | T | 87.7 | Confident | 88.5 | Confident | 102 Ų | 102 | 84.3 Ų | 84.3 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -77 | -10.5 | 177.4 | 67.3 | 0 | 0 | 0 | 0 | 113.6 | D361 L362 G366 | D361-T364 HydrophobicContact CB-CG2 3.95Å; D361-T364 WeakPolarHBondContact O-CB 3.36Å; D361-T364 PolarHBondContact O-N 3.34Å; D361-T364 PolarHBondContact O-OG1 3.48Å; L362-T364 PolarHBondContact O-N 3.47Å; T364-G366 PolarHBondContact O-N 3.06Å; T364-G366 VanDerWaalsContact O-N 3.14Å |
| 365 | L | 86.8 | Confident | 88.9 | Confident | 62 Ų | 62 | 85.2 Ų | 85.2 | 33% | 0.325 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -77.5 | 6.6 | -174.6 | -56.7 | -172.3 | 0 | 0 | 0 | 114.7 | L362 T363 L367 F520 | L362-L365 HydrophobicContact CD2-CD1 3.89Å; L362-L365 WeakPolarHBondContact O-CB 3.18Å; L362-L365 PolarHBondContact O-N 3.2Å; T363-L365 VanDerWaalsContact C-N 3.26Å; T363-L365 PolarHBondContact O-N 2.83Å; L365-L367 PolarHBondContact O-N 2.98Å; L365-F520 HydrophobicContact CD2-CD1 4.4Å; L365-F520 HydrophobicContact CD2-CE1 3.73Å |
| 366 | G | 85.2 | Confident | 89.4 | Confident | 35 Ų | 35 | 88.7 Ų | 88.7 | 36% | 0.361 | 50% | 0.497 | S | S | . | . | S | Bend | trans | 76.3 | 5.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | T364 S385 | T364-G366 PolarHBondContact O-N 3.06Å; T364-G366 VanDerWaalsContact O-N 3.14Å; G366-S385 WeakPolarHBondContact CA-O 3.36Å |
| 367 | L | 88.9 | Confident | 89.6 | Confident | 59 Ų | 59 | 86.1 Ų | 86.1 | 31% | 0.309 | 49% | 0.487 | S | S | . | . | trans | -93.2 | 127.2 | 172.7 | -65.1 | 178.9 | 0 | 0 | 0 | 110.3 | L365 L369 L375 F379 | L365-L367 PolarHBondContact O-N 2.98Å; L367-L369 VanDerWaalsContact C-N 3.32Å; L367-L369 HydrophobicContact CB-CD2 4.07Å; L367-L369 PolarHBondContact O-N 2.91Å; L367-L375 HydrophobicContact CB-CD1 4.4Å; L367-F379 HydrophobicContact CD2-CD2 4.38Å | ||
| 368 | N | 89.5 | Confident | 90 | Very high | 95 Ų | 95 | 89.5 Ų | 89.5 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | trans | -78.4 | 82 | 174.3 | -175.6 | 10 | 0 | 0 | 0 | 110.7 | N370 S371 | N368-N370 PolarHBondContact O-N 3.12Å; N368-N370 VanDerWaalsContact O-N 3.09Å; N368-N370 PolarHBondContact OD1-N 3.22Å; N368-S371 WeakPolarHBondContact O-CB 3.14Å; N368-S371 PolarHBondContact O-N 3.18Å; N368-S371 PolarHBondContact OD1-N 3.4Å | ||
| 369 | L | 89.4 | Confident | 90.2 | Very high | 92 Ų | 92 | 89.2 Ų | 89.2 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -14.2 | 178.6 | -55.7 | -178.7 | 0 | 0 | 0 | 113.7 | L362 L367 L375 | L362-L369 HydrophobicContact CB-CD1 3.98Å; L367-L369 VanDerWaalsContact C-N 3.32Å; L367-L369 HydrophobicContact CB-CD2 4.07Å; L367-L369 PolarHBondContact O-N 2.91Å; L369-L375 HydrophobicContact CD2-CD1 4.38Å |
| 370 | N | 92.2 | Very high | 90.3 | Very high | 147 Ų | 147 | 90.1 Ų | 90.1 | 79% | 0.786 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 7.8 | 174.9 | -61.8 | -47.2 | 0 | 0 | 0 | 113.1 | N368 | N368-N370 PolarHBondContact O-N 3.12Å; N368-N370 VanDerWaalsContact O-N 3.09Å; N368-N370 PolarHBondContact OD1-N 3.22Å |
| 371 | S | 90.9 | Very high | 90.5 | Very high | 34 Ų | 34 | 89 Ų | 89 | 24% | 0.238 | 49% | 0.488 | C | S | . | . | trans | -66.7 | 130.9 | 177.8 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | N368 E373 | N368-S371 WeakPolarHBondContact O-CB 3.14Å; N368-S371 PolarHBondContact O-N 3.18Å; N368-S371 PolarHBondContact OD1-N 3.4Å; S371-E373 WeakPolarHBondContact CB-O 3.37Å; S371-E373 PolarHBondContact OG-N 3Å; S371-E373 VanDerWaalsContact OG-N 3.07Å; S371-E373 PolarHBondContact OG-O 3.33Å | ||
| 372 | P | 93.1 | Very high | 90.5 | Very high | 137 Ų | 137 | 88.6 Ų | 88.6 | 89% | 0.89 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -75.3 | -15.3 | 168.1 | 33 | -35.4 | 0 | 0 | 0 | 112.5 | ||
| 373 | E | 94.4 | Very high | 90.6 | Very high | 116 Ų | 116 | 91 Ų | 91 | 54% | 0.542 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -90.4 | 147.2 | 173.4 | -64.6 | -177.8 | -179.4 | 0 | 0 | 111.3 | S371 L375 K378 | S371-E373 WeakPolarHBondContact CB-O 3.37Å; S371-E373 PolarHBondContact OG-N 3Å; S371-E373 VanDerWaalsContact OG-N 3.07Å; S371-E373 PolarHBondContact OG-O 3.33Å; E373-L375 PolarHBondContact O-N 3.34Å; E373-K378 IonicContact OE2-NZ 3.98Å; E373-K378 PolarHBondContact OE2-NZ 3.07Å |
| 374 | N | 93.1 | Very high | 90.6 | Very high | 110 Ų | 110 | 88.5 Ų | 88.5 | 59% | 0.588 | 48% | 0.481 | S | S | * | . | trans | -54.4 | 135.5 | 169.5 | -73.1 | -41.8 | 0 | 0 | 0 | 111.8 | Y376 P377 | N374-Y376 HydrophobicContact CB-CD1 3.78Å; N374-Y376 HydrophobicContact CB-CE1 3.63Å; N374-P377 HydrophobicContact CB-CG 4.4Å; N374-P377 VanDerWaalsContact O-CD 3.24Å; N374-P377 WeakPolarHBondContact O-CD 3.2Å | ||
| 375 | L | 92.3 | Very high | 90.6 | Very high | 64 Ų | 64 | 88.2 Ų | 88.2 | 34% | 0.335 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -81.5 | -30.3 | -179.9 | -61 | -179.4 | 0 | 0 | 0 | 113.6 | L367 L369 E373 K378 F379 | L367-L375 HydrophobicContact CB-CD1 4.4Å; L369-L375 HydrophobicContact CD2-CD1 4.38Å; E373-L375 PolarHBondContact O-N 3.34Å; L375-K378 CarbonylContact O-C 3.51Å; L375-K378 PolarHBondContact O-N 3.38Å; L375-K378 VanDerWaalsContact O-N 3.15Å; L375-F379 PolarHBondContact O-N 3.49Å |
| 376 | Y | 92.3 | Very high | 90.6 | Very high | 176 Ų | 176 | 88.1 Ų | 88.1 | 69% | 0.69 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -56.3 | -34.5 | -174.5 | 78.9 | -97.2 | 0 | 0 | 0 | 115.9 | N374 K378 F379 | N374-Y376 HydrophobicContact CB-CD1 3.78Å; N374-Y376 HydrophobicContact CB-CE1 3.63Å; Y376-K378 PolarHBondContact O-N 2.71Å; Y376-F379 WeakPolarHBondContact O-CB 3.41Å; Y376-F379 PolarHBondContact O-N 2.93Å |
| 377 | P | 91.4 | Very high | 90.8 | Very high | 70 Ų | 70 | 90 Ų | 90 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -68.2 | -19.6 | -179.4 | -17.9 | 32.2 | 0 | 0 | 0 | 113.7 | N374 | N374-P377 HydrophobicContact CB-CG 4.4Å; N374-P377 VanDerWaalsContact O-CD 3.24Å; N374-P377 WeakPolarHBondContact O-CD 3.2Å |
| 378 | K | 91.1 | Very high | 91 | Very high | 96 Ų | 96 | 88.5 Ų | 88.5 | 42% | 0.417 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -117.5 | 16.4 | 179.1 | -57.8 | 167.6 | -174.7 | 159.6 | 0 | 110.8 | E373 L375 Y376 A380 P387 C388 | E373-K378 IonicContact OE2-NZ 3.98Å; E373-K378 PolarHBondContact OE2-NZ 3.07Å; L375-K378 CarbonylContact O-C 3.51Å; L375-K378 PolarHBondContact O-N 3.38Å; L375-K378 VanDerWaalsContact O-N 3.15Å; Y376-K378 PolarHBondContact O-N 2.71Å; K378-A380 PolarHBondContact O-N 3.4Å; K378-P387 HydrophobicContact CB-CB 4.05Å; K378-P387 CarbonylContact O-C 3.42Å; K378-P387 WeakPolarHBondContact O-CA 3.35Å; K378-P387 VanDerWaalsContact O-CB 3.25Å; K378-P387 WeakPolarHBondContact O-CB 3.41Å; K378-C388 PolarHBondContact O-N 3.13Å |
| 379 | F | 92.9 | Very high | 91 | Very high | 99 Ų | 99 | 87.7 Ų | 87.7 | 43% | 0.434 | 48% | 0.482 | S | S | . | . | trans | -81.3 | 110.4 | -179.5 | 178.5 | -103.6 | 0 | 0 | 0 | 110.2 | L367 L375 Y376 S381 P382 | L367-F379 HydrophobicContact CD2-CD2 4.38Å; L375-F379 PolarHBondContact O-N 3.49Å; Y376-F379 WeakPolarHBondContact O-CB 3.41Å; Y376-F379 PolarHBondContact O-N 2.93Å; F379-S381 VanDerWaalsContact CZ-C 3.48Å; F379-P382 HydrophobicContact CE1-CG 4.44Å; F379-P382 HydrophobicContact CZ-CG 4.3Å | ||
| 380 | A | 90.9 | Very high | 91.1 | Very high | 50 Ų | 50 | 88 Ų | 88 | 41% | 0.413 | 49% | 0.489 | S | S | . | . | trans | -75.6 | -48.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K378 A384 C388 | K378-A380 PolarHBondContact O-N 3.4Å; A380-A384 HydrophobicContact CB-CB 3.75Å; A380-C388 WeakPolarHBondContact CA-SG 3.3Å | ||
| 381 | S | 90.9 | Very high | 91 | Very high | 36 Ų | 36 | 84.9 Ų | 84.9 | 25% | 0.252 | 47% | 0.47 | S | S | . | . | trans | -175 | 152.2 | -172.7 | 165.4 | 0 | 0 | 0 | 0 | 110.5 | F379 W383 A384 | F379-S381 VanDerWaalsContact CZ-C 3.48Å; S381-W383 PolarHBondContact O-N 2.79Å; S381-W383 VanDerWaalsContact OG-CE3 3.3Å; S381-W383 PolarHBondContact OG-N 3.49Å; S381-A384 PolarHBondContact O-N 3.38Å; S381-A384 VanDerWaalsContact O-N 3.07Å | ||
| 382 | P | 90.6 | Very high | 91 | Very high | 88 Ų | 88 | 86.8 Ų | 86.8 | 57% | 0.571 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -19.1 | 170.8 | -25.3 | 35.5 | 0 | 0 | 0 | 115.3 | F379 | F379-P382 HydrophobicContact CE1-CG 4.44Å; F379-P382 HydrophobicContact CZ-CG 4.3Å |
| 383 | W | 90.8 | Very high | 91 | Very high | 153 Ų | 153 | 84 Ų | 84 | 58% | 0.58 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 3.5 | 179.3 | -52 | -79.1 | 0 | 0 | 0 | 113.7 | S381 A516 | S381-W383 PolarHBondContact O-N 2.79Å; S381-W383 VanDerWaalsContact OG-CE3 3.3Å; S381-W383 PolarHBondContact OG-N 3.49Å; W383-A516 HydrophobicContact CB-CB 3.68Å; W383-A516 HydrophobicContact CG-CB 4.15Å |
| 384 | A | 88.4 | Confident | 90.8 | Very high | 37 Ų | 37 | 86.6 Ų | 86.6 | 31% | 0.306 | 47% | 0.472 | S | S | . | . | trans | -91.5 | 123.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A380 S381 A386 | A380-A384 HydrophobicContact CB-CB 3.75Å; S381-A384 PolarHBondContact O-N 3.38Å; S381-A384 VanDerWaalsContact O-N 3.07Å; A384-A386 PolarHBondContact O-N 2.95Å | ||
| 385 | S | 86.6 | Confident | 90.8 | Very high | 97 Ų | 97 | 89.4 Ų | 89.4 | 68% | 0.678 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -81.5 | 13.5 | 176 | -39.6 | 0 | 0 | 0 | 0 | 113.8 | G366 | G366-S385 WeakPolarHBondContact CA-O 3.36Š|
| 386 | A | 88.4 | Confident | 91 | Very high | 60 Ų | 60 | 94.5 Ų | 94.5 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -152.3 | 150.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A384 | A384-A386 PolarHBondContact O-N 2.95Š|
| 387 | P | 89.8 | Confident | 91.2 | Very high | 73 Ų | 73 | 88.7 Ų | 88.7 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 162.1 | 174.7 | 29.9 | -35.7 | 0 | 0 | 0 | 112.5 | K378 R389 | K378-P387 HydrophobicContact CB-CB 4.05Å; K378-P387 CarbonylContact O-C 3.42Å; K378-P387 WeakPolarHBondContact O-CA 3.35Å; K378-P387 VanDerWaalsContact O-CB 3.25Å; K378-P387 WeakPolarHBondContact O-CB 3.41Å; P387-R389 PolarHBondContact O-N 2.95Å |
| 388 | C | 91 | Very high | 91.5 | Very high | 29 Ų | 29 | 88.4 Ų | 88.4 | 20% | 0.196 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -53.1 | 132.3 | 172.2 | -63.3 | 0 | 0 | 0 | 0 | 111.1 | K378 A380 I393 | K378-C388 PolarHBondContact O-N 3.13Å; A380-C388 WeakPolarHBondContact CA-SG 3.3Å; C388-I393 HydrophobicContact CB-CD1 3.85Å; C388-I393 HydrophobicContact CB-CG1 3.73Å |
| 389 | R | 91.1 | Very high | 91.6 | Very high | 77 Ų | 77 | 87.6 Ų | 87.6 | 29% | 0.291 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -85.6 | 158.4 | 169.5 | -50.8 | 164 | -66.6 | -173.7 | 4 | 108.4 | P387 Q391 D392 M430 | P387-R389 PolarHBondContact O-N 2.95Å; R389-Q391 HydrophobicContact CB-CG 4.45Å; R389-Q391 VanDerWaalsContact CB-OE1 3.29Å; R389-Q391 PolarHBondContact O-N 3.3Å; R389-Q391 VanDerWaalsContact O-N 3.1Å; R389-D392 WeakPolarHBondContact CB-OD2 3.35Å; R389-D392 WeakPolarHBondContact CG-OD2 3.39Å; R389-D392 IonicContact CZ-OD1 2.77Å; R389-D392 IonicContact CZ-OD2 3.55Å; R389-D392 PolarHBondContact N-OD2 2.94Å; R389-D392 IonicContact NE-OD1 3.01Å; R389-D392 PolarHBondContact NE-OD1 3.35Å; R389-D392 IonicContact NE-OD2 2.65Å; R389-D392 PolarHBondContact NE-OD2 2.82Å; R389-D392 IonicContact NH2-OD1 3.9Å; R389-D392 PolarHBondContact NH2-OD1 3.19Å; R389-D392 IonicContact NH2-OD2 3.29Å; R389-D392 WeakPolarHBondContact O-CB 3.4Å; R389-D392 PolarHBondContact O-N 3.4Å; R389-M430 WeakPolarHBondContact CD-O 3.44Å |
| 390 | P | 90.8 | Very high | 91.7 | Very high | 98 Ų | 98 | 89.1 Ų | 89.1 | 64% | 0.636 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -54.9 | -32.1 | 179.9 | -27.1 | 35.9 | 0 | 0 | 0 | 114.2 | D392 M430 | P390-D392 VanDerWaalsContact C-N 3.31Å; P390-D392 PolarHBondContact O-N 3.47Å; P390-M430 HydrophobicContact CG-CE 4.29Å |
| 391 | Q | 90.8 | Very high | 91.9 | Very high | 83 Ų | 83 | 94.7 Ų | 94.7 | 39% | 0.388 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -76.7 | -11 | 176.3 | 70.1 | -87.8 | 21.8 | 0 | 0 | 115 | R389 | R389-Q391 HydrophobicContact CB-CG 4.45Å; R389-Q391 VanDerWaalsContact CB-OE1 3.29Å; R389-Q391 PolarHBondContact O-N 3.3Å; R389-Q391 VanDerWaalsContact O-N 3.1Å |
| 392 | D | 91.3 | Very high | 92.1 | Very high | 74 Ų | 74 | 97.3 Ų | 97.3 | 40% | 0.396 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -92.3 | -9.7 | 176.3 | -51 | -42.2 | 0 | 0 | 0 | 112 | R389 P390 | R389-D392 WeakPolarHBondContact CB-OD2 3.35Å; R389-D392 WeakPolarHBondContact CG-OD2 3.39Å; R389-D392 IonicContact CZ-OD1 2.77Å; R389-D392 IonicContact CZ-OD2 3.55Å; R389-D392 PolarHBondContact N-OD2 2.94Å; R389-D392 IonicContact NE-OD1 3.01Å; R389-D392 PolarHBondContact NE-OD1 3.35Å; R389-D392 IonicContact NE-OD2 2.65Å; R389-D392 PolarHBondContact NE-OD2 2.82Å; R389-D392 IonicContact NH2-OD1 3.9Å; R389-D392 PolarHBondContact NH2-OD1 3.19Å; R389-D392 IonicContact NH2-OD2 3.29Å; R389-D392 WeakPolarHBondContact O-CB 3.4Å; R389-D392 PolarHBondContact O-N 3.4Å; P390-D392 VanDerWaalsContact C-N 3.31Å; P390-D392 PolarHBondContact O-N 3.47Å |
| 393 | I | 92.2 | Very high | 92.4 | Very high | 77 Ų | 77 | 96.5 Ų | 96.5 | 40% | 0.395 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -102.7 | 111.2 | -176.2 | -57.4 | 174.3 | 0 | 0 | 0 | 108.7 | C388 F395 | C388-I393 HydrophobicContact CB-CD1 3.85Å; C388-I393 HydrophobicContact CB-CG1 3.73Å; I393-F395 PolarHBondContact O-N 3.38Å |
| 394 | D | 91.3 | Very high | 92.5 | Very high | 171 Ų | 171 | 93.8 Ų | 93.8 | 91% | 0.914 | 51% | 0.509 | S | S | * | . | trans | -62 | 126.6 | 170.2 | -76.7 | -40.8 | 0 | 0 | 0 | 110.3 | ||||
| 395 | F | 92.7 | Very high | 92.8 | Very high | 169 Ų | 169 | 98.4 Ų | 98.4 | 74% | 0.741 | 53% | 0.527 | S | S | * | . | trans | -127.5 | 140.8 | 179.9 | -168.2 | -94.6 | 0 | 0 | 0 | 111 | I393 V397 | I393-F395 PolarHBondContact O-N 3.38Å; F395-V397 VanDerWaalsContact C-N 3.32Å; F395-V397 HydrophobicContact CD1-CG1 4.19Å; F395-V397 PolarHBondContact O-N 2.91Å | ||
| 396 | H | 95.9 | Very high | 93.1 | Very high | 172 Ų | 172 | 100.6 Ų | 100.6 | 80% | 0.796 | 53% | 0.527 | S | S | * | . | trans | -73.4 | 86 | 176.8 | -176.3 | -73.6 | 0 | 0 | 0 | 110.7 | ||||
| 397 | V | 96.2 | Very high | 93.4 | Very high | 54 Ų | 54 | 101.1 Ų | 101.1 | 33% | 0.327 | 52% | 0.52 | S | S | . | . | trans | -78.5 | 149.7 | 173.9 | -65 | 0 | 0 | 0 | 0 | 111.7 | F395 Y401 L402 | F395-V397 VanDerWaalsContact C-N 3.32Å; F395-V397 HydrophobicContact CD1-CG1 4.19Å; F395-V397 PolarHBondContact O-N 2.91Å; V397-Y401 HydrophobicContact CB-CD2 4.25Å; V397-L402 HydrophobicContact CG2-CD2 3.66Å; V397-L402 HydrophobicContact CG2-CG 4.28Å | ||
| 398 | P | 97.2 | Very high | 93.6 | Very high | 64 Ų | 64 | 106.5 Ų | 106.5 | 42% | 0.416 | 53% | 0.531 | S | S | . | . | trans | -52.1 | 147 | 167.8 | -27 | 34.1 | 0 | 0 | 0 | 113.1 | E400 Y401 | P398-E400 WeakPolarHBondContact CB-OE2 3.35Å; P398-E400 PolarHBondContact O-N 2.8Å; P398-Y401 HydrophobicContact CB-CD2 4.38Å; P398-Y401 HydrophobicContact CG-CD2 4.27Å; P398-Y401 HydrophobicContact CG-CE2 4.13Å; P398-Y401 PolarHBondContact O-N 2.82Å | ||
| 399 | S | 94.2 | Very high | 93.7 | Very high | 78 Ų | 78 | 112.9 Ų | 112.9 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -55.7 | -28.2 | -175.5 | 27.5 | 0 | 0 | 0 | 0 | 113.8 | Y401 L402 | S399-Y401 PolarHBondContact O-N 2.65Å; S399-L402 WeakPolarHBondContact O-CB 3.4Å; S399-L402 PolarHBondContact O-N 2.77Å |
| 400 | E | 94.8 | Very high | 93.9 | Very high | 132 Ų | 132 | 118 Ų | 118 | 62% | 0.617 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -68.5 | -25.4 | -177.2 | -57.2 | 64.1 | -127.7 | 0 | 0 | 111.5 | P398 | P398-E400 WeakPolarHBondContact CB-OE2 3.35Å; P398-E400 PolarHBondContact O-N 2.8Å |
| 401 | Y | 96.1 | Very high | 94 | Very high | 167 Ų | 167 | 118.5 Ų | 118.5 | 66% | 0.655 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -85.3 | -11.4 | 177.1 | -59.6 | -30.8 | 0 | 0 | 0 | 113.6 | V397 P398 S399 T403 | V397-Y401 HydrophobicContact CB-CD2 4.25Å; P398-Y401 HydrophobicContact CB-CD2 4.38Å; P398-Y401 HydrophobicContact CG-CD2 4.27Å; P398-Y401 HydrophobicContact CG-CE2 4.13Å; P398-Y401 PolarHBondContact O-N 2.82Å; S399-Y401 PolarHBondContact O-N 2.65Å; Y401-T403 PolarHBondContact O-N 3.22Å |
| 402 | L | 94.7 | Very high | 94.2 | Very high | 90 Ų | 90 | 117.8 Ų | 117.8 | 47% | 0.471 | 59% | 0.593 | S | S | . | * | trans | -76.2 | 49.4 | 174.7 | -58 | 179.5 | 0 | 0 | 0 | 111.7 | V397 S399 N404 I405 | V397-L402 HydrophobicContact CG2-CD2 3.66Å; V397-L402 HydrophobicContact CG2-CG 4.28Å; S399-L402 WeakPolarHBondContact O-CB 3.4Å; S399-L402 PolarHBondContact O-N 2.77Å; L402-N404 PolarHBondContact O-N 3.01Å; L402-I405 WeakPolarHBondContact O-CG1 3.48Å | ||
| 403 | T | 95.7 | Very high | 94.2 | Very high | 72 Ų | 72 | 117.6 Ų | 117.6 | 44% | 0.442 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66 | -33.2 | -170.8 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | Y401 I405 H406 I407 | Y401-T403 PolarHBondContact O-N 3.22Å; T403-I405 VanDerWaalsContact C-N 3.26Å; T403-I405 PolarHBondContact O-N 3.4Å; T403-I405 VanDerWaalsContact O-N 3.14Å; T403-H406 PolarHBondContact O-N 3.07Å; T403-I407 WeakPolarHBondContact O-CG1 3.32Å; T403-I407 PolarHBondContact O-N 3.38Å; T403-I407 VanDerWaalsContact O-N 3.14Å |
| 404 | N | 94.2 | Very high | 94.2 | Very high | 95 Ų | 95 | 120.3 Ų | 120.3 | 51% | 0.508 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -51.9 | -42.4 | -172.6 | -169.3 | 2.2 | 0 | 0 | 0 | 112.5 | L402 H406 I407 R408 | L402-N404 PolarHBondContact O-N 3.01Å; N404-H406 PolarHBondContact O-N 3.5Å; N404-H406 VanDerWaalsContact O-N 3.13Å; N404-I407 PolarHBondContact O-N 3.31Å; N404-R408 WeakPolarHBondContact O-CB 3.44Å; N404-R408 PolarHBondContact O-N 3.27Å |
| 405 | I | 93.3 | Very high | 94.3 | Very high | 134 Ų | 134 | 117.2 Ų | 117.2 | 69% | 0.687 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.2 | -23.6 | -179.6 | 73.9 | -171.9 | 0 | 0 | 0 | 113.6 | L402 T403 | L402-I405 WeakPolarHBondContact O-CG1 3.48Å; T403-I405 VanDerWaalsContact C-N 3.26Å; T403-I405 PolarHBondContact O-N 3.4Å; T403-I405 VanDerWaalsContact O-N 3.14Å |
| 406 | H | 93.7 | Very high | 94.3 | Very high | 144 Ų | 144 | 110.2 Ų | 110.2 | 67% | 0.667 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -100 | -30 | -176.6 | -56.9 | 110.3 | 0 | 0 | 0 | 113.7 | T403 N404 | T403-H406 PolarHBondContact O-N 3.07Å; N404-H406 PolarHBondContact O-N 3.5Å; N404-H406 VanDerWaalsContact O-N 3.13Å |
| 407 | I | 94.9 | Very high | 94.3 | Very high | 70 Ų | 70 | 105.8 Ų | 105.8 | 36% | 0.359 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -122.4 | 6.9 | -170.6 | 70.5 | 170.5 | 0 | 0 | 0 | 115 | T403 N404 D409 K410 L411 | T403-I407 WeakPolarHBondContact O-CG1 3.32Å; T403-I407 PolarHBondContact O-N 3.38Å; T403-I407 VanDerWaalsContact O-N 3.14Å; N404-I407 PolarHBondContact O-N 3.31Å; I407-D409 VanDerWaalsContact C-N 3.27Å; I407-D409 PolarHBondContact O-N 3.21Å; I407-D409 VanDerWaalsContact O-N 3.1Å; I407-K410 CarbonylContact O-C 3.55Å; I407-K410 WeakPolarHBondContact O-CA 3.24Å; I407-K410 PolarHBondContact O-N 2.97Å; I407-L411 PolarHBondContact O-N 3.46Å |
| 408 | R | 92.8 | Very high | 94.3 | Very high | 186 Ų | 186 | 111.1 Ų | 111.1 | 70% | 0.702 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.2 | -48.5 | -177.8 | -173.6 | 178.7 | 179 | -174.6 | 0.3 | 114.2 | N404 K410 L411 | N404-R408 WeakPolarHBondContact O-CB 3.44Å; N404-R408 PolarHBondContact O-N 3.27Å; R408-K410 VanDerWaalsContact C-N 3.27Å; R408-K410 PolarHBondContact O-N 3.01Å; R408-L411 PolarHBondContact O-N 3.23Å |
| 409 | D | 93.9 | Very high | 94.2 | Very high | 163 Ų | 163 | 111.3 Ų | 111.3 | 87% | 0.872 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -16.3 | -176 | -55.2 | -36.3 | 0 | 0 | 0 | 113.6 | I407 | I407-D409 VanDerWaalsContact C-N 3.27Å; I407-D409 PolarHBondContact O-N 3.21Å; I407-D409 VanDerWaalsContact O-N 3.1Å |
| 410 | K | 94.9 | Very high | 94.4 | Very high | 184 Ų | 184 | 109.8 Ų | 109.8 | 80% | 0.8 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -16.5 | 177.1 | -61.6 | 178.1 | -177.7 | 173.9 | 0 | 112.4 | I407 R408 A412 | I407-K410 CarbonylContact O-C 3.55Å; I407-K410 WeakPolarHBondContact O-CA 3.24Å; I407-K410 PolarHBondContact O-N 2.97Å; R408-K410 VanDerWaalsContact C-N 3.27Å; R408-K410 PolarHBondContact O-N 3.01Å; K410-A412 PolarHBondContact O-N 3.26Å |
| 411 | L | 94.1 | Very high | 94.5 | Very high | 110 Ų | 110 | 106.8 Ų | 106.8 | 58% | 0.576 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -68.2 | 128.3 | -177.3 | -174.8 | 61.2 | 0 | 0 | 0 | 110.2 | I407 R408 A413 | I407-L411 PolarHBondContact O-N 3.46Å; R408-L411 PolarHBondContact O-N 3.23Å; L411-A413 PolarHBondContact O-N 3.09Å |
| 412 | A | 93.3 | Very high | 94.5 | Very high | 68 Ų | 68 | 103.1 Ų | 103.1 | 56% | 0.562 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 127.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | K410 I414 | K410-A412 PolarHBondContact O-N 3.26Å; A412-I414 PolarHBondContact O-N 3.47Å |
| 413 | A | 92.1 | Very high | 94.6 | Very high | 70 Ų | 70 | 101.8 Ų | 101.8 | 58% | 0.579 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 138.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L411 K415 | L411-A413 PolarHBondContact O-N 3.09Å; A413-K415 PolarHBondContact O-N 3.19Å |
| 414 | I | 92.4 | Very high | 94.7 | Very high | 133 Ų | 133 | 98.4 Ų | 98.4 | 68% | 0.682 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 120.3 | -178.4 | -60.4 | 175.5 | 0 | 0 | 0 | 109.5 | A412 Y419 | A412-I414 PolarHBondContact O-N 3.47Å; I414-Y419 WeakPolarHBondContact CA-OH 3.25Å; I414-Y419 HydrophobicContact CG2-CE2 4.03Å |
| 415 | K | 94.1 | Very high | 94.9 | Very high | 107 Ų | 107 | 93.9 Ų | 93.9 | 47% | 0.465 | 48% | 0.482 | S | S | . | . | trans | -143.5 | 104 | 178.7 | -70.8 | -171.1 | 178.3 | -170.6 | 0 | 109.2 | A413 S417 R418 | A413-K415 PolarHBondContact O-N 3.19Å; K415-S417 VanDerWaalsContact C-N 3.27Å; K415-S417 PolarHBondContact O-N 2.94Å; K415-R418 HydrophobicContact CB-CG 4.18Å; K415-R418 WeakPolarHBondContact O-CB 3.47Å; K415-R418 PolarHBondContact O-N 3.08Å | ||
| 416 | L | 92.9 | Very high | 95.1 | Very high | 21 Ų | 21 | 92.2 Ų | 92.2 | 11% | 0.11 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -59.5 | -34.2 | -171.2 | -63 | 175.1 | 0 | 0 | 0 | 113.8 | R418 Y419 L424 L427 L436 L439 E443 R447 | L416-R418 PolarHBondContact O-N 2.81Å; L416-Y419 HydrophobicContact CD2-CD2 3.89Å; L416-Y419 HydrophobicContact CD2-CE2 4.03Å; L416-Y419 PolarHBondContact O-N 3.06Å; L416-L424 HydrophobicContact CB-CD2 4.1Å; L416-L424 HydrophobicContact CD2-CD2 4.17Å; L416-L427 HydrophobicContact CD2-CD1 3.51Å; L416-L436 HydrophobicContact CD2-CD1 4.3Å; L416-L439 HydrophobicContact CD1-CB 3.43Å; L416-L439 VanDerWaalsContact CD1-CB 3.43Å; L416-E443 HydrophobicContact CB-CG 3.74Å; L416-E443 HydrophobicContact CD1-CG 4.44Å; L416-R447 PolarHBondContact O-NH2 3.11Å |
| 417 | S | 94.7 | Very high | 95.2 | Very high | 79 Ų | 79 | 86.4 Ų | 86.4 | 55% | 0.552 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -57.8 | -18 | 173.3 | 56.9 | 0 | 0 | 0 | 0 | 115 | K415 E443 | K415-S417 VanDerWaalsContact C-N 3.27Å; K415-S417 PolarHBondContact O-N 2.94Å; S417-E443 WeakPolarHBondContact CB-OE1 3.5Å; S417-E443 PolarHBondContact N-OE1 3.39Å |
| 418 | R | 95.9 | Very high | 95.3 | Very high | 167 Ų | 167 | 84.3 Ų | 84.3 | 63% | 0.63 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -88.6 | -14.3 | 175.7 | -62.9 | -177.7 | 170.7 | -178.7 | -9.4 | 114.1 | K415 L416 | K415-R418 HydrophobicContact CB-CG 4.18Å; K415-R418 WeakPolarHBondContact O-CB 3.47Å; K415-R418 PolarHBondContact O-N 3.08Å; L416-R418 PolarHBondContact O-N 2.81Å |
| 419 | Y | 96.5 | Very high | 95.5 | Very high | 68 Ų | 68 | 78.5 Ų | 78.5 | 27% | 0.267 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -89.3 | 153.8 | -173.5 | -59.6 | -40.9 | 0 | 0 | 0 | 112.3 | I414 L416 L423 R447 | I414-Y419 WeakPolarHBondContact CA-OH 3.25Å; I414-Y419 HydrophobicContact CG2-CE2 4.03Å; L416-Y419 HydrophobicContact CD2-CD2 3.89Å; L416-Y419 HydrophobicContact CD2-CE2 4.03Å; L416-Y419 PolarHBondContact O-N 3.06Å; Y419-L423 HydrophobicContact CD1-CD2 3.76Å; Y419-L423 HydrophobicContact CD2-CD2 3.96Å; Y419-L423 HydrophobicContact CE1-CD2 4.26Å; Y419-L423 HydrophobicContact CE2-CD2 4.47Å; Y419-L423 HydrophobicContact CG-CD2 3.61Å; Y419-L423 HydrophobicContact CG-CG 4.37Å; Y419-R447 VanDerWaalsContact O-CZ 3.28Å; Y419-R447 PolarHBondContact O-NH1 3.21Å; Y419-R447 PolarHBondContact O-NH2 3.14Å |
| 420 | G | 96.8 | Very high | 95.5 | Very high | 46 Ų | 46 | 73.2 Ų | 73.2 | 47% | 0.474 | 38% | 0.378 | S | S | . | . | trans | -66.5 | 159 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | D422 L423 L424 | G420-D422 PolarHBondContact O-N 3.31Å; G420-L423 PolarHBondContact O-N 3.31Å; G420-L424 PolarHBondContact O-N 3.26Å | ||
| 421 | E | 96.6 | Very high | 95.3 | Very high | 68 Ų | 68 | 65.2 Ų | 65.2 | 32% | 0.318 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.4 | -37.7 | 174.5 | 48.4 | -179.5 | 151.8 | 0 | 0 | 112.7 | L423 L424 F425 W449 K489 | E421-L423 PolarHBondContact O-N 2.79Å; E421-L424 WeakPolarHBondContact O-CB 3.17Å; E421-L424 PolarHBondContact O-N 3.18Å; E421-L424 VanDerWaalsContact O-N 3.11Å; E421-F425 HydrophobicContact CB-CE2 4.19Å; E421-F425 WeakPolarHBondContact O-CD2 3.39Å; E421-F425 PolarHBondContact O-N 3.26Å; E421-W449 WeakPolarHBondContact OE2-CZ2 3.46Å; E421-K489 IonicContact OE1-NZ 2.67Å; E421-K489 PolarHBondContact OE1-NZ 3.03Å; E421-K489 IonicContact OE2-NZ 2.75Å; E421-K489 PolarHBondContact OE2-NZ 3.35Å |
| 422 | D | 97.5 | Very high | 95.1 | Very high | 90 Ų | 90 | 62.3 Ų | 62.3 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -53.9 | -51.2 | 175 | -179.6 | 83.9 | 0 | 0 | 0 | 113.2 | G420 L424 F425 Y426 W487 | G420-D422 PolarHBondContact O-N 3.31Å; D422-L424 VanDerWaalsContact C-N 3.31Å; D422-L424 PolarHBondContact O-N 3.19Å; D422-F425 PolarHBondContact O-N 3.26Å; D422-Y426 PolarHBondContact O-N 2.82Å; D422-W487 PolarHBondContact OD1-NE1 2.88Å |
| 423 | L | 97 | Very high | 94.8 | Very high | 63 Ų | 63 | 62.5 Ų | 62.5 | 33% | 0.33 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.3 | -30 | 177 | -179.9 | 56 | 0 | 0 | 0 | 112 | Y419 G420 E421 Y426 L427 | Y419-L423 HydrophobicContact CD1-CD2 3.76Å; Y419-L423 HydrophobicContact CD2-CD2 3.96Å; Y419-L423 HydrophobicContact CE1-CD2 4.26Å; Y419-L423 HydrophobicContact CE2-CD2 4.47Å; Y419-L423 HydrophobicContact CG-CD2 3.61Å; Y419-L423 HydrophobicContact CG-CG 4.37Å; G420-L423 PolarHBondContact O-N 3.31Å; E421-L423 PolarHBondContact O-N 2.79Å; L423-Y426 HydrophobicContact CD1-CD1 4.04Å; L423-Y426 PolarHBondContact O-N 3.15Å; L423-L427 HydrophobicContact CD1-CG 4.26Å; L423-L427 HydrophobicContact CG-CD1 4.49Å; L423-L427 VanDerWaalsContact O-CG 3.3Å; L423-L427 WeakPolarHBondContact O-CG 3.48Å; L423-L427 PolarHBondContact O-N 3.19Å |
| 424 | L | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 172.4 | -63.8 | -179.9 | 0 | 0 | 0 | 111.7 | L416 G420 E421 D422 L427 Y428 E443 L444 R447 | L416-L424 HydrophobicContact CB-CD2 4.1Å; L416-L424 HydrophobicContact CD2-CD2 4.17Å; G420-L424 PolarHBondContact O-N 3.26Å; E421-L424 WeakPolarHBondContact O-CB 3.17Å; E421-L424 PolarHBondContact O-N 3.18Å; E421-L424 VanDerWaalsContact O-N 3.11Å; D422-L424 VanDerWaalsContact C-N 3.31Å; D422-L424 PolarHBondContact O-N 3.19Å; L424-L427 PolarHBondContact O-N 3.12Å; L424-Y428 VanDerWaalsContact O-CB 3.3Å; L424-Y428 WeakPolarHBondContact O-CB 3.19Å; L424-Y428 PolarHBondContact O-N 2.8Å; L424-E443 HydrophobicContact CD1-CB 3.8Å; L424-E443 HydrophobicContact CD2-CB 4.13Å; L424-L444 HydrophobicContact CB-CD1 4.44Å; L424-L444 HydrophobicContact CB-CD2 3.88Å; L424-L444 HydrophobicContact CB-CG 3.97Å; L424-L444 HydrophobicContact CD1-CD2 4.18Å; L424-L444 HydrophobicContact CD1-CG 4.32Å; L424-R447 VanDerWaalsContact CD1-CZ 3.46Å |
| 425 | F | 98 | Very high | 94.6 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 171.8 | -67.8 | -56 | 0 | 0 | 0 | 111.8 | E421 D422 L427 Y428 Y429 L444 W449 W458 F482 W487 | E421-F425 HydrophobicContact CB-CE2 4.19Å; E421-F425 WeakPolarHBondContact O-CD2 3.39Å; E421-F425 PolarHBondContact O-N 3.26Å; D422-F425 PolarHBondContact O-N 3.26Å; F425-L427 PolarHBondContact O-N 3.03Å; F425-Y428 PolarHBondContact O-N 3.22Å; F425-Y429 HydrophobicContact CB-CD2 4.36Å; F425-Y429 HydrophobicContact CD1-CE2 4.24Å; F425-Y429 VanDerWaalsContact O-CD2 3.27Å; F425-Y429 WeakPolarHBondContact O-CD2 3.03Å; F425-Y429 PolarHBondContact O-N 3.04Å; F425-L444 HydrophobicContact CD1-CD1 3.82Å; F425-L444 HydrophobicContact CD1-CD2 4.16Å; F425-L444 HydrophobicContact CE1-CD1 3.78Å; F425-L444 HydrophobicContact CE1-CD2 3.7Å; F425-L444 HydrophobicContact CE1-CG 4.4Å; F425-L444 HydrophobicContact CE2-CD2 4.32Å; F425-L444 HydrophobicContact CZ-CD2 3.79Å; F425-W449 HydrophobicContact CE1-CD2 4.49Å; F425-W449 HydrophobicContact CE1-CE3 4.45Å; F425-W449 HydrophobicContact CE2-CH2 4.26Å; F425-W449 HydrophobicContact CE2-CZ2 4.02Å; F425-W449 AromaticContact CZ-CD2 3.82Å; F425-W449 HydrophobicContact CZ-CD2 3.82Å; F425-W449 AromaticContact CZ-CE2 3.69Å; F425-W449 AromaticContact CZ-CE3 3.92Å; F425-W449 HydrophobicContact CZ-CE3 3.92Å; F425-W449 AromaticContact CZ-CH2 3.77Å; F425-W449 HydrophobicContact CZ-CH2 3.77Å; F425-W449 AromaticContact CZ-CZ2 3.68Å; F425-W449 HydrophobicContact CZ-CZ2 3.68Å; F425-W449 AromaticContact CZ-CZ3 3.9Å; F425-W449 HydrophobicContact CZ-CZ3 3.9Å; F425-W458 HydrophobicContact CD1-CG 4.47Å; F425-W458 HydrophobicContact CE1-CB 3.7Å; F425-W458 AromaticContact CE1-CD1 3.93Å; F425-W458 AromaticContact CE1-CG 3.83Å; F425-W458 HydrophobicContact CE1-CG 3.83Å; F425-W458 HydrophobicContact CZ-CB 4.42Å; F425-F482 HydrophobicContact CB-CD1 4.1Å; F425-F482 HydrophobicContact CB-CE1 3.7Å; F425-F482 HydrophobicContact CB-CE2 4.32Å; F425-F482 HydrophobicContact CB-CZ 3.83Å; F425-F482 HydrophobicContact CD1-CB 4.21Å; F425-F482 AromaticContact CD1-CD1 3.92Å; F425-F482 HydrophobicContact CD1-CD1 3.92Å; F425-F482 HydrophobicContact CD1-CD2 4.47Å; F425-F482 HydrophobicContact CD1-CE1 4.4Å; F425-F482 AromaticContact CD1-CG 3.94Å; F425-F482 HydrophobicContact CD1-CG 3.94Å; F425-F482 HydrophobicContact CD2-CB 4.44Å; F425-F482 HydrophobicContact CD2-CD1 4.14Å; F425-F482 AromaticContact CD2-CD2 3.41Å; F425-F482 HydrophobicContact CD2-CD2 3.41Å; F425-F482 VanDerWaalsContact CD2-CD2 3.41Å; F425-F482 HydrophobicContact CD2-CE1 4.23Å; F425-F482 AromaticContact CD2-CE2 3.53Å; F425-F482 HydrophobicContact CD2-CE2 3.53Å; F425-F482 AromaticContact CD2-CG 3.73Å; F425-F482 HydrophobicContact CD2-CG 3.73Å; F425-F482 AromaticContact CD2-CZ 3.93Å; F425-F482 HydrophobicContact CD2-CZ 3.93Å; F425-F482 HydrophobicContact CE1-CB 3.83Å; F425-F482 HydrophobicContact CE1-CD1 4.4Å; F425-F482 HydrophobicContact CE1-CG 4.01Å; F425-F482 HydrophobicContact CE2-CB 4.07Å; F425-F482 AromaticContact CE2-CD2 3.49Å; F425-F482 HydrophobicContact CE2-CD2 3.49Å; F425-F482 VanDerWaalsContact CE2-CD2 3.49Å; F425-F482 HydrophobicContact CE2-CE2 4.06Å; F425-F482 AromaticContact CE2-CG 3.8Å; F425-F482 HydrophobicContact CE2-CG 3.8Å; F425-F482 AromaticContact CG-CD1 3.79Å; F425-F482 HydrophobicContact CG-CD1 3.79Å; F425-F482 AromaticContact CG-CD2 3.95Å; F425-F482 HydrophobicContact CG-CD2 3.95Å; F425-F482 AromaticContact CG-CE1 3.87Å; F425-F482 HydrophobicContact CG-CE1 3.87Å; F425-F482 HydrophobicContact CG-CE2 4.04Å; F425-F482 AromaticContact CG-CG 3.81Å; F425-F482 HydrophobicContact CG-CG 3.81Å; F425-F482 AromaticContact CG-CZ 3.99Å; F425-F482 HydrophobicContact CG-CZ 3.99Å; F425-F482 HydrophobicContact CZ-CB 3.74Å; F425-F482 HydrophobicContact CZ-CD2 4.08Å; F425-F482 AromaticContact CZ-CG 3.94Å; F425-F482 HydrophobicContact CZ-CG 3.94Å; F425-W487 HydrophobicContact CB-CH2 4.07Å; F425-W487 HydrophobicContact CB-CZ2 4.36Å |
| 426 | Y | 97.1 | Very high | 94.5 | Very high | 99 Ų | 99 | 55.9 Ų | 55.9 | 39% | 0.388 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.3 | -51.4 | 175.3 | 177.9 | -92.4 | 0 | 0 | 0 | 111.3 | D422 L423 Y428 Y429 M430 | D422-Y426 PolarHBondContact O-N 2.82Å; L423-Y426 HydrophobicContact CD1-CD1 4.04Å; L423-Y426 PolarHBondContact O-N 3.15Å; Y426-Y428 VanDerWaalsContact C-N 3.34Å; Y426-Y428 PolarHBondContact O-N 3.06Å; Y426-Y429 PolarHBondContact O-N 3.07Å; Y426-M430 HydrophobicContact CD1-CG 4.39Å; Y426-M430 HydrophobicContact CD2-CG 3.89Å; Y426-M430 HydrophobicContact CE1-CG 4.17Å; Y426-M430 HydrophobicContact CE2-CG 3.65Å; Y426-M430 HydrophobicContact CE2-SD 4.37Å; Y426-M430 HydrophobicContact CG-CG 4.25Å; Y426-M430 WeakPolarHBondContact O-CB 3.29Å; Y426-M430 WeakPolarHBondContact O-CG 3.41Å; Y426-M430 PolarHBondContact O-N 3.12Å |
| 427 | L | 96.4 | Very high | 94.6 | Very high | 22 Ų | 22 | 57.2 Ų | 57.2 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63 | -39 | 177.1 | -65.6 | 178.5 | 0 | 0 | 0 | 112.4 | L416 L423 L424 F425 N431 L436 A440 | L416-L427 HydrophobicContact CD2-CD1 3.51Å; L423-L427 HydrophobicContact CD1-CG 4.26Å; L423-L427 HydrophobicContact CG-CD1 4.49Å; L423-L427 VanDerWaalsContact O-CG 3.3Å; L423-L427 WeakPolarHBondContact O-CG 3.48Å; L423-L427 PolarHBondContact O-N 3.19Å; L424-L427 PolarHBondContact O-N 3.12Å; F425-L427 PolarHBondContact O-N 3.03Å; L427-N431 VanDerWaalsContact O-CB 3.3Å; L427-N431 WeakPolarHBondContact O-CB 3.48Å; L427-N431 PolarHBondContact O-N 2.95Å; L427-N431 VanDerWaalsContact O-N 3.13Å; L427-N431 PolarHBondContact O-OD1 3.42Å; L427-L436 HydrophobicContact CB-CG 4.43Å; L427-L436 HydrophobicContact CD1-CD1 4.29Å; L427-L436 HydrophobicContact CD1-CG 4.4Å; L427-L436 HydrophobicContact CD2-CD2 3.75Å; L427-L436 HydrophobicContact CD2-CG 4.21Å; L427-A440 HydrophobicContact CB-CB 4Å |
| 428 | Y | 96.8 | Very high | 94.6 | Very high | 26 Ų | 26 | 55.6 Ų | 55.6 | 10% | 0.102 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64 | -45.9 | 178 | 180 | -92.8 | 0 | 0 | 0 | 113 | L424 F425 Y426 Q437 A441 Y451 W458 | L424-Y428 VanDerWaalsContact O-CB 3.3Å; L424-Y428 WeakPolarHBondContact O-CB 3.19Å; L424-Y428 PolarHBondContact O-N 2.8Å; F425-Y428 PolarHBondContact O-N 3.22Å; Y426-Y428 VanDerWaalsContact C-N 3.34Å; Y426-Y428 PolarHBondContact O-N 3.06Å; Y428-Q437 HydrophobicContact CD2-CG 3.71Å; Y428-Q437 HydrophobicContact CE2-CG 3.82Å; Y428-Q437 HydrophobicContact CG-CG 4.37Å; Y428-Q437 WeakPolarHBondContact O-CG 3.38Å; Y428-Q437 PolarHBondContact O-NE2 3.27Å; Y428-A441 HydrophobicContact CD2-CB 3.91Å; Y428-A441 HydrophobicContact CE2-CB 3.9Å; Y428-Y451 HydrophobicContact CE1-CE2 4.13Å; Y428-Y451 VanDerWaalsContact OH-CE2 3.29Å; Y428-Y451 WeakPolarHBondContact OH-CE2 3.35Å; Y428-W458 AromaticContact CD1-CD1 3.91Å; Y428-W458 AromaticContact CD1-NE1 3.21Å; Y428-W458 AromaticContact CD2-CZ2 3.83Å; Y428-W458 HydrophobicContact CD2-CZ2 3.83Å; Y428-W458 AromaticContact CD2-NE1 3.66Å; Y428-W458 AromaticContact CE1-CD1 3.88Å; Y428-W458 AromaticContact CE1-NE1 3.14Å; Y428-W458 AromaticContact CE2-CE2 3.9Å; Y428-W458 AromaticContact CE2-CZ2 3.59Å; Y428-W458 HydrophobicContact CE2-CZ2 3.59Å; Y428-W458 AromaticContact CE2-NE1 3.61Å; Y428-W458 HydrophobicContact CG-CZ2 4.48Å; Y428-W458 AromaticContact CG-NE1 3.48Å; Y428-W458 AromaticContact CZ-CE2 3.96Å; Y428-W458 AromaticContact CZ-NE1 3.35Å; Y428-W458 VanDerWaalsContact CZ-NE1 3.35Å |
| 429 | Y | 96.1 | Very high | 94.6 | Very high | 64 Ų | 64 | 50.7 Ų | 50.7 | 25% | 0.251 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -82.9 | -27.1 | -176.4 | -73.6 | -70 | 0 | 0 | 0 | 113.4 | F425 Y426 F482 C484 | F425-Y429 HydrophobicContact CB-CD2 4.36Å; F425-Y429 HydrophobicContact CD1-CE2 4.24Å; F425-Y429 VanDerWaalsContact O-CD2 3.27Å; F425-Y429 WeakPolarHBondContact O-CD2 3.03Å; F425-Y429 PolarHBondContact O-N 3.04Å; Y426-Y429 PolarHBondContact O-N 3.07Å; Y429-F482 HydrophobicContact CD2-CE1 4.41Å; Y429-F482 AromaticContact CE2-CD1 3.82Å; Y429-F482 HydrophobicContact CE2-CD1 3.82Å; Y429-F482 HydrophobicContact CE2-CE1 4.12Å; Y429-C484 HydrophobicContact CD1-CB 4.32Å; Y429-C484 HydrophobicContact CD2-CB 4.06Å; Y429-C484 HydrophobicContact CE1-CB 4.12Å; Y429-C484 HydrophobicContact CE2-CB 3.87Å; Y429-C484 HydrophobicContact CG-CB 4.31Å |
| 430 | M | 94.1 | Very high | 94.6 | Very high | 51 Ų | 51 | 47.5 Ų | 47.5 | 25% | 0.251 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -85.8 | -32.1 | 179.8 | -64.6 | -63.5 | -69.2 | 0 | 0 | 113.8 | R389 P390 Y426 G432 | R389-M430 WeakPolarHBondContact CD-O 3.44Å; P390-M430 HydrophobicContact CG-CE 4.29Å; Y426-M430 HydrophobicContact CD1-CG 4.39Å; Y426-M430 HydrophobicContact CD2-CG 3.89Å; Y426-M430 HydrophobicContact CE1-CG 4.17Å; Y426-M430 HydrophobicContact CE2-CG 3.65Å; Y426-M430 HydrophobicContact CE2-SD 4.37Å; Y426-M430 HydrophobicContact CG-CG 4.25Å; Y426-M430 WeakPolarHBondContact O-CB 3.29Å; Y426-M430 WeakPolarHBondContact O-CG 3.41Å; Y426-M430 PolarHBondContact O-N 3.12Å; M430-G432 VanDerWaalsContact C-N 3.34Å; M430-G432 PolarHBondContact O-N 2.88Å |
| 431 | N | 92.3 | Very high | 94.6 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 9% | 0.086 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -95.5 | 44.3 | -175.7 | -70.1 | 78.3 | 0 | 0 | 0 | 112.9 | L427 G433 D434 L436 Q437 | L427-N431 VanDerWaalsContact O-CB 3.3Å; L427-N431 WeakPolarHBondContact O-CB 3.48Å; L427-N431 PolarHBondContact O-N 2.95Å; L427-N431 VanDerWaalsContact O-N 3.13Å; L427-N431 PolarHBondContact O-OD1 3.42Å; N431-G433 PolarHBondContact O-N 3.35Å; N431-D434 HydrophobicContact CB-CB 4.16Å; N431-D434 PolarHBondContact ND2-OD2 3.43Å; N431-D434 WeakPolarHBondContact O-CB 3.36Å; N431-D434 PolarHBondContact O-N 3.4Å; N431-L436 HydrophobicContact CB-CB 4.05Å; N431-Q437 HydrophobicContact CB-CB 4.17Å; N431-Q437 WeakPolarHBondContact O-CB 3.41Å |
| 432 | G | 89.1 | Confident | 94.6 | Very high | 49 Ų | 49 | 43.3 Ų | 43.3 | 51% | 0.505 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 125.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | M430 D434 | M430-G432 VanDerWaalsContact C-N 3.34Å; M430-G432 PolarHBondContact O-N 2.88Å; G432-D434 VanDerWaalsContact C-N 3.27Å; G432-D434 PolarHBondContact O-N 3.26Å |
| 433 | G | 86.4 | Confident | 94.5 | Very high | 72 Ų | 72 | 40.9 Ų | 40.9 | 74% | 0.742 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N431 | N431-G433 PolarHBondContact O-N 3.35Š|
| 434 | D | 89.3 | Confident | 94.5 | Very high | 61 Ų | 61 | 37.9 Ų | 37.9 | 33% | 0.326 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -111.4 | 155 | -177.5 | 173.6 | 25 | 0 | 0 | 0 | 111.2 | N431 G432 L436 Q437 | N431-D434 HydrophobicContact CB-CB 4.16Å; N431-D434 PolarHBondContact ND2-OD2 3.43Å; N431-D434 WeakPolarHBondContact O-CB 3.36Å; N431-D434 PolarHBondContact O-N 3.4Å; G432-D434 VanDerWaalsContact C-N 3.27Å; G432-D434 PolarHBondContact O-N 3.26Å; D434-L436 PolarHBondContact O-N 3.14Å; D434-L436 VanDerWaalsContact O-N 3.12Å; D434-Q437 PolarHBondContact O-N 3.24Å; D434-Q437 VanDerWaalsContact O-N 3.17Å |
| 435 | L | 91.4 | Very high | 94.5 | Very high | 61 Ų | 61 | 39.8 Ų | 39.8 | 32% | 0.319 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -55.7 | -31.4 | 179.2 | 177.7 | 61.5 | 0 | 0 | 0 | 111.7 | L438 L439 V507 F511 | L435-L438 WeakPolarHBondContact O-CB 3.42Å; L435-L438 PolarHBondContact O-N 3.34Å; L435-L439 HydrophobicContact CD1-CD1 4.39Å; L435-L439 HydrophobicContact CD1-CG 4.13Å; L435-L439 HydrophobicContact CD2-CD1 4.41Å; L435-L439 HydrophobicContact CG-CD1 3.93Å; L435-L439 HydrophobicContact CG-CG 4.15Å; L435-L439 VanDerWaalsContact O-CG 3.32Å; L435-L439 WeakPolarHBondContact O-CG 3.14Å; L435-L439 PolarHBondContact O-N 2.9Å; L435-V507 HydrophobicContact CD1-CG1 3.87Å; L435-F511 HydrophobicContact CB-CE2 4.29Å |
| 436 | L | 92.7 | Very high | 94.4 | Very high | 50 Ų | 50 | 43.5 Ų | 43.5 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.4 | -34.5 | -178.3 | -166.6 | 55.1 | 0 | 0 | 0 | 113.4 | L416 L427 N431 D434 L438 A440 | L416-L436 HydrophobicContact CD2-CD1 4.3Å; L427-L436 HydrophobicContact CB-CG 4.43Å; L427-L436 HydrophobicContact CD1-CD1 4.29Å; L427-L436 HydrophobicContact CD1-CG 4.4Å; L427-L436 HydrophobicContact CD2-CD2 3.75Å; L427-L436 HydrophobicContact CD2-CG 4.21Å; N431-L436 HydrophobicContact CB-CB 4.05Å; D434-L436 PolarHBondContact O-N 3.14Å; D434-L436 VanDerWaalsContact O-N 3.12Å; L436-L438 VanDerWaalsContact C-N 3.32Å; L436-A440 WeakPolarHBondContact O-CB 3.21Å; L436-A440 PolarHBondContact O-N 2.83Å |
| 437 | Q | 94.9 | Very high | 94.4 | Very high | 49 Ų | 49 | 42.4 Ų | 42.4 | 23% | 0.229 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 171.2 | 161.6 | 177.7 | 74.6 | 0 | 0 | 110.7 | Y428 N431 D434 A440 A441 | Y428-Q437 HydrophobicContact CD2-CG 3.71Å; Y428-Q437 HydrophobicContact CE2-CG 3.82Å; Y428-Q437 HydrophobicContact CG-CG 4.37Å; Y428-Q437 WeakPolarHBondContact O-CG 3.38Å; Y428-Q437 PolarHBondContact O-NE2 3.27Å; N431-Q437 HydrophobicContact CB-CB 4.17Å; N431-Q437 WeakPolarHBondContact O-CB 3.41Å; D434-Q437 PolarHBondContact O-N 3.24Å; D434-Q437 VanDerWaalsContact O-N 3.17Å; Q437-A440 PolarHBondContact O-N 3.1Å; Q437-A441 WeakPolarHBondContact O-CB 3.32Å; Q437-A441 PolarHBondContact O-N 2.99Å |
| 438 | L | 94.3 | Very high | 94.4 | Very high | 44 Ų | 44 | 46.4 Ų | 46.4 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.8 | -41 | -178.7 | -173.5 | 60.4 | 0 | 0 | 0 | 112.3 | L435 L436 A441 V442 P505 H506 V507 | L435-L438 WeakPolarHBondContact O-CB 3.42Å; L435-L438 PolarHBondContact O-N 3.34Å; L436-L438 VanDerWaalsContact C-N 3.32Å; L438-A441 WeakPolarHBondContact O-CB 3.16Å; L438-A441 PolarHBondContact O-N 3.22Å; L438-V442 WeakPolarHBondContact O-CG2 3.42Å; L438-V442 PolarHBondContact O-N 3.41Å; L438-P505 HydrophobicContact CD1-CB 3.61Å; L438-H506 WeakPolarHBondContact CD2-O 3.35Å; L438-V507 HydrophobicContact CD2-CB 4.45Å; L438-V507 HydrophobicContact CD2-CG2 4.37Å; L438-V507 HydrophobicContact CG-CG2 4.24Å |
| 439 | L | 94.7 | Very high | 94.4 | Very high | 65 Ų | 65 | 45.5 Ų | 45.5 | 34% | 0.34 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.7 | -38.4 | 173.8 | -67.1 | 173.3 | 0 | 0 | 0 | 111.9 | L416 L435 V442 E443 V507 | L416-L439 HydrophobicContact CD1-CB 3.43Å; L416-L439 VanDerWaalsContact CD1-CB 3.43Å; L435-L439 HydrophobicContact CD1-CD1 4.39Å; L435-L439 HydrophobicContact CD1-CG 4.13Å; L435-L439 HydrophobicContact CD2-CD1 4.41Å; L435-L439 HydrophobicContact CG-CD1 3.93Å; L435-L439 HydrophobicContact CG-CG 4.15Å; L435-L439 VanDerWaalsContact O-CG 3.32Å; L435-L439 WeakPolarHBondContact O-CG 3.14Å; L435-L439 PolarHBondContact O-N 2.9Å; L439-V442 PolarHBondContact O-N 3.28Å; L439-E443 PolarHBondContact O-N 2.99Å; L439-V507 HydrophobicContact CD2-CG2 4.43Å |
| 440 | A | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L427 L436 Q437 V442 E443 L444 | L427-A440 HydrophobicContact CB-CB 4Å; L436-A440 WeakPolarHBondContact O-CB 3.21Å; L436-A440 PolarHBondContact O-N 2.83Å; Q437-A440 PolarHBondContact O-N 3.1Å; A440-V442 PolarHBondContact O-N 2.82Å; A440-E443 PolarHBondContact O-N 2.86Å; A440-L444 WeakPolarHBondContact O-CG 3.23Å; A440-L444 PolarHBondContact O-N 2.97Å |
| 441 | A | 96.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 5% | 0.05 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y428 Q437 L438 L444 F445 W458 P505 | Y428-A441 HydrophobicContact CD2-CB 3.91Å; Y428-A441 HydrophobicContact CE2-CB 3.9Å; Q437-A441 WeakPolarHBondContact O-CB 3.32Å; Q437-A441 PolarHBondContact O-N 2.99Å; L438-A441 WeakPolarHBondContact O-CB 3.16Å; L438-A441 PolarHBondContact O-N 3.22Å; A441-L444 PolarHBondContact O-N 2.64Å; A441-F445 WeakPolarHBondContact O-CB 3.48Å; A441-F445 PolarHBondContact O-N 3.03Å; A441-W458 HydrophobicContact CB-CH2 3.81Å; A441-W458 HydrophobicContact CB-CZ2 3.62Å; A441-W458 WeakPolarHBondContact O-CH2 3.4Å; A441-P505 HydrophobicContact CB-CB 4.24Å; A441-P505 HydrophobicContact CB-CG 3.78Å |
| 442 | V | 96.5 | Very high | 94.8 | Very high | 21 Ų | 21 | 45.2 Ų | 45.2 | 13% | 0.127 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -41.4 | 174.5 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | L438 L439 A440 F445 N446 P505 V507 | L438-V442 WeakPolarHBondContact O-CG2 3.42Å; L438-V442 PolarHBondContact O-N 3.41Å; L439-V442 PolarHBondContact O-N 3.28Å; A440-V442 PolarHBondContact O-N 2.82Å; V442-F445 PolarHBondContact O-N 3.27Å; V442-N446 PolarHBondContact O-N 2.96Å; V442-N446 PolarHBondContact O-ND2 2.78Å; V442-N446 PolarHBondContact O-OD1 2.91Å; V442-P505 HydrophobicContact CG2-CB 4Å; V442-P505 HydrophobicContact CG2-CG 4.43Å; V442-V507 HydrophobicContact CG2-CG2 3.97Å |
| 443 | E | 96.7 | Very high | 95.1 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.2 | -33.5 | 178.9 | -75.2 | -80 | -172.9 | 0 | 0 | 113.2 | L416 S417 L424 L439 A440 N446 R447 | L416-E443 HydrophobicContact CB-CG 3.74Å; L416-E443 HydrophobicContact CD1-CG 4.44Å; S417-E443 WeakPolarHBondContact CB-OE1 3.5Å; S417-E443 PolarHBondContact N-OE1 3.39Å; L424-E443 HydrophobicContact CD1-CB 3.8Å; L424-E443 HydrophobicContact CD2-CB 4.13Å; L439-E443 PolarHBondContact O-N 2.99Å; A440-E443 PolarHBondContact O-N 2.86Å; E443-N446 PolarHBondContact O-N 2.92Å; E443-R447 WeakPolarHBondContact O-CD 3.25Å; E443-R447 VanDerWaalsContact O-CG 3.27Å; E443-R447 WeakPolarHBondContact O-CG 3.36Å; E443-R447 PolarHBondContact O-N 3.11Å |
| 444 | L | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 167.7 | -73.1 | 170.7 | 0 | 0 | 0 | 110.6 | L424 F425 A440 A441 N446 R447 W449 W458 | L424-L444 HydrophobicContact CB-CD1 4.44Å; L424-L444 HydrophobicContact CB-CD2 3.88Å; L424-L444 HydrophobicContact CB-CG 3.97Å; L424-L444 HydrophobicContact CD1-CD2 4.18Å; L424-L444 HydrophobicContact CD1-CG 4.32Å; F425-L444 HydrophobicContact CD1-CD1 3.82Å; F425-L444 HydrophobicContact CD1-CD2 4.16Å; F425-L444 HydrophobicContact CE1-CD1 3.78Å; F425-L444 HydrophobicContact CE1-CD2 3.7Å; F425-L444 HydrophobicContact CE1-CG 4.4Å; F425-L444 HydrophobicContact CE2-CD2 4.32Å; F425-L444 HydrophobicContact CZ-CD2 3.79Å; A440-L444 WeakPolarHBondContact O-CG 3.23Å; A440-L444 PolarHBondContact O-N 2.97Å; A441-L444 PolarHBondContact O-N 2.64Å; L444-N446 VanDerWaalsContact C-N 3.35Å; L444-N446 PolarHBondContact O-N 2.66Å; L444-R447 CarbonylContact O-C 3.51Å; L444-R447 WeakPolarHBondContact O-CA 3.31Å; L444-R447 PolarHBondContact O-N 2.87Å; L444-W449 HydrophobicContact CB-CB 4.09Å; L444-W449 HydrophobicContact CB-CG 4.49Å; L444-W449 HydrophobicContact CD2-CG 4.28Å; L444-W449 WeakPolarHBondContact O-CB 3.47Å; L444-W449 PolarHBondContact O-N 2.89Å; L444-W449 VanDerWaalsContact O-N 3.11Å; L444-W458 HydrophobicContact CB-CD2 4.48Å; L444-W458 HydrophobicContact CB-CE3 4.22Å; L444-W458 HydrophobicContact CB-CH2 3.99Å; L444-W458 HydrophobicContact CB-CZ2 4.29Å; L444-W458 HydrophobicContact CB-CZ3 3.96Å; L444-W458 HydrophobicContact CD1-CD2 4Å; L444-W458 HydrophobicContact CD1-CG 4.36Å; L444-W458 HydrophobicContact CD1-CH2 4.46Å; L444-W458 HydrophobicContact CD1-CZ2 3.92Å |
| 445 | F | 96.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 51.1 Ų | 51.1 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.6 | -41.4 | 176.5 | -169.9 | -80.2 | 0 | 0 | 0 | 112.8 | A441 V442 R447 D448 W449 R450 R504 | A441-F445 WeakPolarHBondContact O-CB 3.48Å; A441-F445 PolarHBondContact O-N 3.03Å; V442-F445 PolarHBondContact O-N 3.27Å; F445-R447 PolarHBondContact O-N 3.14Å; F445-D448 PolarHBondContact O-N 2.78Å; F445-W449 WeakPolarHBondContact CA-O 3.42Å; F445-R450 PolarHBondContact O-NH1 2.71Å; F445-R504 HydrophobicContact CD1-CB 4.22Å; F445-R504 HydrophobicContact CD1-CG 4Å; F445-R504 HydrophobicContact CE1-CB 3.87Å; F445-R504 HydrophobicContact CE1-CG 4.06Å; F445-R504 HydrophobicContact CE2-CB 4.24Å; F445-R504 HydrophobicContact CG-CG 4.43Å; F445-R504 HydrophobicContact CZ-CB 3.87Å |
| 446 | N | 96.3 | Very high | 96 | Very high | 79 Ų | 79 | 56.9 Ų | 56.9 | 42% | 0.422 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -16.3 | 174.1 | -65.3 | -21.8 | 0 | 0 | 0 | 113.3 | V442 E443 L444 | V442-N446 PolarHBondContact O-N 2.96Å; V442-N446 PolarHBondContact O-ND2 2.78Å; V442-N446 PolarHBondContact O-OD1 2.91Å; E443-N446 PolarHBondContact O-N 2.92Å; L444-N446 VanDerWaalsContact C-N 3.35Å; L444-N446 PolarHBondContact O-N 2.66Å |
| 447 | R | 96.2 | Very high | 96.3 | Very high | 76 Ų | 76 | 55.5 Ų | 55.5 | 29% | 0.287 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 28.6 | 178.5 | -62.5 | 170.5 | -167.2 | -153 | 4.5 | 112 | L416 Y419 L424 E443 L444 F445 W449 | L416-R447 PolarHBondContact O-NH2 3.11Å; Y419-R447 VanDerWaalsContact O-CZ 3.28Å; Y419-R447 PolarHBondContact O-NH1 3.21Å; Y419-R447 PolarHBondContact O-NH2 3.14Å; L424-R447 VanDerWaalsContact CD1-CZ 3.46Å; E443-R447 WeakPolarHBondContact O-CD 3.25Å; E443-R447 VanDerWaalsContact O-CG 3.27Å; E443-R447 WeakPolarHBondContact O-CG 3.36Å; E443-R447 PolarHBondContact O-N 3.11Å; L444-R447 CarbonylContact O-C 3.51Å; L444-R447 WeakPolarHBondContact O-CA 3.31Å; L444-R447 PolarHBondContact O-N 2.87Å; F445-R447 PolarHBondContact O-N 3.14Å; R447-W449 PolarHBondContact O-N 3.38Å; R447-W449 VanDerWaalsContact O-N 3.16Å |
| 448 | D | 95.8 | Very high | 96.4 | Very high | 105 Ų | 105 | 53.3 Ų | 53.3 | 56% | 0.561 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 25.3 | 178.7 | -66.2 | -48.9 | 0 | 0 | 0 | 116.3 | F445 R450 T460 | F445-D448 PolarHBondContact O-N 2.78Å; D448-R450 IonicContact OD1-CZ 3.47Å; D448-R450 IonicContact OD1-NH2 3.67Å; D448-R450 PolarHBondContact OD1-NH2 3.02Å; D448-T460 WeakPolarHBondContact O-CB 3.35Å; D448-T460 PolarHBondContact O-OG1 3.23Å |
| 449 | W | 97.4 | Very high | 96.6 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | trans | -84.1 | 141.6 | 161.9 | -65.5 | 85.8 | 0 | 0 | 0 | 110.6 | E421 F425 L444 F445 R447 W458 I459 T460 F482 K489 | E421-W449 WeakPolarHBondContact OE2-CZ2 3.46Å; F425-W449 HydrophobicContact CE1-CD2 4.49Å; F425-W449 HydrophobicContact CE1-CE3 4.45Å; F425-W449 HydrophobicContact CE2-CH2 4.26Å; F425-W449 HydrophobicContact CE2-CZ2 4.02Å; F425-W449 AromaticContact CZ-CD2 3.82Å; F425-W449 HydrophobicContact CZ-CD2 3.82Å; F425-W449 AromaticContact CZ-CE2 3.69Å; F425-W449 AromaticContact CZ-CE3 3.92Å; F425-W449 HydrophobicContact CZ-CE3 3.92Å; F425-W449 AromaticContact CZ-CH2 3.77Å; F425-W449 HydrophobicContact CZ-CH2 3.77Å; F425-W449 AromaticContact CZ-CZ2 3.68Å; F425-W449 HydrophobicContact CZ-CZ2 3.68Å; F425-W449 AromaticContact CZ-CZ3 3.9Å; F425-W449 HydrophobicContact CZ-CZ3 3.9Å; L444-W449 HydrophobicContact CB-CB 4.09Å; L444-W449 HydrophobicContact CB-CG 4.49Å; L444-W449 HydrophobicContact CD2-CG 4.28Å; L444-W449 WeakPolarHBondContact O-CB 3.47Å; L444-W449 PolarHBondContact O-N 2.89Å; L444-W449 VanDerWaalsContact O-N 3.11Å; F445-W449 WeakPolarHBondContact CA-O 3.42Å; R447-W449 PolarHBondContact O-N 3.38Å; R447-W449 VanDerWaalsContact O-N 3.16Å; W449-W458 HydrophobicContact CB-CE3 3.67Å; W449-W458 HydrophobicContact CB-CZ3 4.13Å; W449-W458 HydrophobicContact CE3-CB 3.8Å; W449-W458 HydrophobicContact CZ3-CB 4.32Å; W449-W458 WeakPolarHBondContact CZ3-O 3.44Å; W449-I459 CarbonylContact C-O 3.55Å; W449-I459 WeakPolarHBondContact CA-O 3.43Å; W449-T460 HydrophobicContact CD2-CG2 3.85Å; W449-T460 HydrophobicContact CE3-CG2 3.85Å; W449-T460 HydrophobicContact CH2-CG2 3.65Å; W449-T460 HydrophobicContact CZ2-CG2 3.6Å; W449-T460 HydrophobicContact CZ3-CG2 3.76Å; W449-F482 HydrophobicContact CH2-CB 4.47Å; W449-F482 HydrophobicContact CZ3-CB 4.31Å; W449-K489 HydrophobicContact CH2-CD 3.63Å; W449-K489 HydrophobicContact CH2-CG 4.06Å; W449-K489 HydrophobicContact CZ2-CD 3.67Å | ||
| 450 | R | 97 | Very high | 96.6 | Very high | 68 Ų | 68 | 49.5 Ų | 49.5 | 26% | 0.257 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 136.9 | 173.1 | -57.9 | -64.5 | 173.9 | -95.7 | -6.2 | 108.2 | F445 D448 I459 L501 | F445-R450 PolarHBondContact O-NH1 2.71Å; D448-R450 IonicContact OD1-CZ 3.47Å; D448-R450 IonicContact OD1-NH2 3.67Å; D448-R450 PolarHBondContact OD1-NH2 3.02Å; R450-I459 PolarHBondContact N-O 2.96Å; R450-I459 PolarHBondContact O-N 3.5Å; R450-L501 HydrophobicContact CB-CD1 4.34Å; R450-L501 HydrophobicContact CB-CD2 4.33Å |
| 451 | Y | 97.6 | Very high | 96.5 | Very high | 44 Ų | 44 | 55 Ų | 55 | 17% | 0.173 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 132.1 | 178.7 | -175.4 | -101 | 0 | 0 | 0 | 109.5 | Y428 R456 W458 L501 E502 | Y428-Y451 HydrophobicContact CE1-CE2 4.13Å; Y428-Y451 VanDerWaalsContact OH-CE2 3.29Å; Y428-Y451 WeakPolarHBondContact OH-CE2 3.35Å; Y451-R456 WeakPolarHBondContact OH-CA 3.35Å; Y451-R456 WeakPolarHBondContact OH-CB 3.49Å; Y451-W458 AromaticContact CD2-CD1 3.88Å; Y451-W458 AromaticContact CD2-CD2 3.99Å; Y451-W458 HydrophobicContact CD2-CD2 3.99Å; Y451-W458 AromaticContact CD2-CE2 3.87Å; Y451-W458 HydrophobicContact CD2-CG 4.03Å; Y451-W458 HydrophobicContact CD2-CZ2 4.48Å; Y451-W458 AromaticContact CD2-NE1 3.77Å; Y451-L501 CarbonylContact O-C 3.56Å; Y451-L501 WeakPolarHBondContact O-CA 3.48Å; Y451-E502 HydrophobicContact CD1-CG 4.03Å; Y451-E502 PolarHBondContact O-N 2.88Å |
| 452 | H | 97 | Very high | 96.1 | Very high | 13 Ų | 13 | 55 Ų | 55 | 6% | 0.06 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -93.5 | 119.3 | 178.2 | -166.2 | -61 | 0 | 0 | 0 | 109.8 | E454 E455 R456 V457 I459 L501 | H452-E454 PolarHBondContact ND1-N 3.3Å; H452-E454 PolarHBondContact O-N 3.32Å; H452-E455 HydrophobicContact CB-CB 4.23Å; H452-E455 PolarHBondContact ND1-N 3.48Å; H452-R456 VanDerWaalsContact O-CA 3.25Å; H452-R456 WeakPolarHBondContact O-CA 3.39Å; H452-R456 PolarHBondContact O-N 3.16Å; H452-V457 PolarHBondContact N-O 3.44Å; H452-I459 HydrophobicContact CB-CD1 3.89Å; H452-L501 HydrophobicContact CB-CD2 4.25Å |
| 453 | K | 95.6 | Very high | 95.8 | Very high | 78 Ų | 78 | 59.6 Ų | 59.6 | 34% | 0.339 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -43.5 | -172.6 | -66 | 167.1 | -175 | 158 | 0 | 112.8 | R456 D499 K500 L501 E502 | K453-R456 WeakPolarHBondContact O-CG 3.21Å; K453-D499 PolarHBondContact NZ-O 3.15Å; K453-K500 WeakPolarHBondContact CB-O 3.44Å; K453-K500 WeakPolarHBondContact CG-O 3.29Å; K453-K500 PolarHBondContact N-O 3.08Å; K453-L501 WeakPolarHBondContact CE-O 3.39Å; K453-L501 PolarHBondContact NZ-O 3.08Å; K453-E502 WeakPolarHBondContact CE-OE1 3.5Å; K453-E502 HydrophobicContact CG-CG 3.9Å; K453-E502 WeakPolarHBondContact CG-OE1 3.16Å |
| 454 | E | 95.6 | Very high | 95.2 | Very high | 122 Ų | 122 | 62 Ų | 62 | 57% | 0.57 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -53.5 | -175.4 | -61.5 | 178.7 | 164.1 | 0 | 0 | 113.3 | H452 R456 K500 | H452-E454 PolarHBondContact ND1-N 3.3Å; H452-E454 PolarHBondContact O-N 3.32Å; E454-R456 PolarHBondContact O-N 3.01Å; E454-K500 HydrophobicContact CG-CD 4.39Å; E454-K500 WeakPolarHBondContact OE1-CD 3.17Å; E454-K500 WeakPolarHBondContact OE1-CE 3.36Å; E454-K500 IonicContact OE1-NZ 2.73Å; E454-K500 PolarHBondContact OE1-NZ 2.97Å; E454-K500 IonicContact OE2-NZ 3.63Å |
| 455 | E | 94.6 | Very high | 94.8 | Very high | 106 Ų | 106 | 66.7 Ų | 66.7 | 50% | 0.495 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -16.6 | 174.6 | -64.6 | -88.9 | 132.3 | 0 | 0 | 113.7 | H452 V457 K492 | H452-E455 HydrophobicContact CB-CB 4.23Å; H452-E455 PolarHBondContact ND1-N 3.48Å; E455-V457 VanDerWaalsContact C-N 3.3Å; E455-V457 HydrophobicContact CB-CG2 3.91Å; E455-V457 PolarHBondContact O-N 3.15Å; E455-K492 IonicContact OE2-NZ 2.71Å; E455-K492 PolarHBondContact OE2-NZ 2.87Å |
| 456 | R | 96.1 | Very high | 94.4 | Very high | 181 Ų | 181 | 73.2 Ų | 73.2 | 68% | 0.683 | 37% | 0.365 | S | S | * | . | trans | 57.2 | 34.2 | 178 | -63.3 | 176.7 | 178.6 | -174.7 | -1.4 | 115.1 | Y451 H452 K453 E454 | Y451-R456 WeakPolarHBondContact OH-CA 3.35Å; Y451-R456 WeakPolarHBondContact OH-CB 3.49Å; H452-R456 VanDerWaalsContact O-CA 3.25Å; H452-R456 WeakPolarHBondContact O-CA 3.39Å; H452-R456 PolarHBondContact O-N 3.16Å; K453-R456 WeakPolarHBondContact O-CG 3.21Å; E454-R456 PolarHBondContact O-N 3.01Å | ||
| 457 | V | 97.1 | Very high | 94.1 | Very high | 21 Ų | 21 | 71 Ų | 71 | 13% | 0.127 | 36% | 0.355 | C | S | . | . | trans | -125 | 152.3 | 179.1 | -67.5 | 0 | 0 | 0 | 0 | 112 | H452 E455 I459 F481 | H452-V457 PolarHBondContact N-O 3.44Å; E455-V457 VanDerWaalsContact C-N 3.3Å; E455-V457 HydrophobicContact CB-CG2 3.91Å; E455-V457 PolarHBondContact O-N 3.15Å; V457-I459 HydrophobicContact CG2-CD1 4.11Å; V457-I459 HydrophobicContact CG2-CG1 3.92Å; V457-F481 HydrophobicContact CB-CD2 4.29Å; V457-F481 HydrophobicContact CG1-CD2 4.16Å; V457-F481 HydrophobicContact CG2-CB 4.3Å; V457-F481 HydrophobicContact CG2-CD2 4.4Å | ||
| 458 | W | 98 | Very high | 93.7 | Very high | 4 Ų | 4 | 72.1 Ų | 72.1 | 2% | 0.015 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 131.6 | 166.5 | -73.7 | 100.1 | 0 | 0 | 0 | 110.3 | F425 Y428 A441 L444 W449 Y451 F481 F482 | F425-W458 HydrophobicContact CD1-CG 4.47Å; F425-W458 HydrophobicContact CE1-CB 3.7Å; F425-W458 AromaticContact CE1-CD1 3.93Å; F425-W458 AromaticContact CE1-CG 3.83Å; F425-W458 HydrophobicContact CE1-CG 3.83Å; F425-W458 HydrophobicContact CZ-CB 4.42Å; Y428-W458 AromaticContact CD1-CD1 3.91Å; Y428-W458 AromaticContact CD1-NE1 3.21Å; Y428-W458 AromaticContact CD2-CZ2 3.83Å; Y428-W458 HydrophobicContact CD2-CZ2 3.83Å; Y428-W458 AromaticContact CD2-NE1 3.66Å; Y428-W458 AromaticContact CE1-CD1 3.88Å; Y428-W458 AromaticContact CE1-NE1 3.14Å; Y428-W458 AromaticContact CE2-CE2 3.9Å; Y428-W458 AromaticContact CE2-CZ2 3.59Å; Y428-W458 HydrophobicContact CE2-CZ2 3.59Å; Y428-W458 AromaticContact CE2-NE1 3.61Å; Y428-W458 HydrophobicContact CG-CZ2 4.48Å; Y428-W458 AromaticContact CG-NE1 3.48Å; Y428-W458 AromaticContact CZ-CE2 3.96Å; Y428-W458 AromaticContact CZ-NE1 3.35Å; Y428-W458 VanDerWaalsContact CZ-NE1 3.35Å; A441-W458 HydrophobicContact CB-CH2 3.81Å; A441-W458 HydrophobicContact CB-CZ2 3.62Å; A441-W458 WeakPolarHBondContact O-CH2 3.4Å; L444-W458 HydrophobicContact CB-CD2 4.48Å; L444-W458 HydrophobicContact CB-CE3 4.22Å; L444-W458 HydrophobicContact CB-CH2 3.99Å; L444-W458 HydrophobicContact CB-CZ2 4.29Å; L444-W458 HydrophobicContact CB-CZ3 3.96Å; L444-W458 HydrophobicContact CD1-CD2 4Å; L444-W458 HydrophobicContact CD1-CG 4.36Å; L444-W458 HydrophobicContact CD1-CH2 4.46Å; L444-W458 HydrophobicContact CD1-CZ2 3.92Å; W449-W458 HydrophobicContact CB-CE3 3.67Å; W449-W458 HydrophobicContact CB-CZ3 4.13Å; W449-W458 HydrophobicContact CE3-CB 3.8Å; W449-W458 HydrophobicContact CZ3-CB 4.32Å; W449-W458 WeakPolarHBondContact CZ3-O 3.44Å; Y451-W458 AromaticContact CD2-CD1 3.88Å; Y451-W458 AromaticContact CD2-CD2 3.99Å; Y451-W458 HydrophobicContact CD2-CD2 3.99Å; Y451-W458 AromaticContact CD2-CE2 3.87Å; Y451-W458 HydrophobicContact CD2-CG 4.03Å; Y451-W458 HydrophobicContact CD2-CZ2 4.48Å; Y451-W458 AromaticContact CD2-NE1 3.77Å; W458-F481 CarbonylContact O-C 3.4Å; W458-F481 WeakPolarHBondContact O-CA 3.43Å; W458-F481 WeakPolarHBondContact O-CB 3.46Å; W458-F482 PolarHBondContact O-N 2.94Å |
| 459 | I | 97.4 | Very high | 93.6 | Very high | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 140.6 | -177.1 | -51.4 | -179.3 | 0 | 0 | 0 | 109.3 | W449 R450 H452 V457 Y479 Y480 F481 F494 L496 | W449-I459 CarbonylContact C-O 3.55Å; W449-I459 WeakPolarHBondContact CA-O 3.43Å; R450-I459 PolarHBondContact N-O 2.96Å; R450-I459 PolarHBondContact O-N 3.5Å; H452-I459 HydrophobicContact CB-CD1 3.89Å; V457-I459 HydrophobicContact CG2-CD1 4.11Å; V457-I459 HydrophobicContact CG2-CG1 3.92Å; I459-Y479 HydrophobicContact CG2-CD1 4.16Å; I459-Y479 HydrophobicContact CG2-CG 3.97Å; I459-Y480 CarbonylContact C-O 3.56Å; I459-Y480 WeakPolarHBondContact CA-O 3.48Å; I459-F481 HydrophobicContact CG1-CB 4.1Å; I459-F494 HydrophobicContact CD1-CD1 3.92Å; I459-F494 HydrophobicContact CD1-CE1 3.7Å; I459-F494 HydrophobicContact CD1-CE2 4.36Å; I459-F494 HydrophobicContact CD1-CG 4.35Å; I459-F494 HydrophobicContact CD1-CZ 3.92Å; I459-F494 HydrophobicContact CG1-CZ 4.39Å; I459-F494 HydrophobicContact CG2-CD2 4.49Å; I459-F494 HydrophobicContact CG2-CE2 4.47Å; I459-L496 HydrophobicContact CD1-CD2 3.72Å; I459-L496 HydrophobicContact CG2-CD1 4.28Å |
| 460 | T | 96.4 | Very high | 93.3 | Very high | 25 Ų | 25 | 76.4 Ų | 76.4 | 15% | 0.153 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 157.1 | 170.5 | -167.8 | 0 | 0 | 0 | 0 | 111 | D448 W449 Y479 Y480 | D448-T460 WeakPolarHBondContact O-CB 3.35Å; D448-T460 PolarHBondContact O-OG1 3.23Å; W449-T460 HydrophobicContact CD2-CG2 3.85Å; W449-T460 HydrophobicContact CE3-CG2 3.85Å; W449-T460 HydrophobicContact CH2-CG2 3.65Å; W449-T460 HydrophobicContact CZ2-CG2 3.6Å; W449-T460 HydrophobicContact CZ3-CG2 3.76Å; T460-Y479 WeakPolarHBondContact O-CA 3.16Å; T460-Y479 WeakPolarHBondContact O-CB 3.15Å; T460-Y480 PolarHBondContact N-O 2.87Å; T460-Y480 PolarHBondContact O-N 3.23Å |
| 461 | R | 93.1 | Very high | 93.2 | Very high | 114 Ų | 114 | 75.3 Ų | 75.3 | 43% | 0.43 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 139.1 | 178.1 | -74.3 | -179.6 | -174.9 | 157.7 | 6.5 | 110.5 | E475 Y479 | R461-E475 IonicContact CZ-OE1 2.76Å; R461-E475 VanDerWaalsContact CZ-OE1 3.29Å; R461-E475 IonicContact CZ-OE2 3.81Å; R461-E475 IonicContact NE-OE1 3.43Å; R461-E475 PolarHBondContact NE-OE1 3.1Å; R461-E475 IonicContact NE-OE2 2.77Å; R461-E475 IonicContact NH2-OE1 3.52Å; R461-E475 PolarHBondContact NH2-OE1 3.36Å; R461-E475 IonicContact NH2-OE2 3.57Å; R461-E475 PolarHBondContact NH2-OE2 2.78Å; R461-Y479 HydrophobicContact CB-CD1 4.44Å; R461-Y479 HydrophobicContact CG-CD1 3.79Å; R461-Y479 HydrophobicContact CG-CE1 3.56Å |
| 462 | A | 90 | Very high | 93 | Very high | 6 Ų | 6 | 81.4 Ų | 81.4 | 5% | 0.05 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 130.5 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | G464 M465 Y480 | A462-G464 PolarHBondContact O-N 2.97Å; A462-M465 HydrophobicContact CB-CB 3.9Å; A462-M465 HydrophobicContact CB-CG 3.83Å; A462-M465 WeakPolarHBondContact O-CB 3.45Å; A462-M465 PolarHBondContact O-N 3.34Å; A462-Y480 HydrophobicContact CB-CD2 3.81Å; A462-Y480 HydrophobicContact CB-CE2 3.59Å |
| 463 | P | 89.1 | Confident | 92.9 | Very high | 119 Ų | 119 | 83.9 Ų | 83.9 | 77% | 0.773 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 127.6 | -178.7 | -27 | 35.8 | 0 | 0 | 0 | 111.7 | M465 | P463-M465 VanDerWaalsContact C-N 3.27Å; P463-M465 PolarHBondContact O-N 2.88Å |
| 464 | G | 85.4 | Confident | 92.8 | Very high | 88 Ų | 88 | 83.8 Ų | 83.8 | 91% | 0.907 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 1.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | A462 | A462-G464 PolarHBondContact O-N 2.97Š|
| 465 | M | 88.3 | Confident | 92.8 | Very high | 100 Ų | 100 | 78.4 Ų | 78.4 | 49% | 0.493 | 42% | 0.42 | S | S | . | . | trans | -104.2 | 110.2 | 175.4 | -64.3 | -68 | -67.4 | 0 | 0 | 110.3 | A462 P463 | A462-M465 HydrophobicContact CB-CB 3.9Å; A462-M465 HydrophobicContact CB-CG 3.83Å; A462-M465 WeakPolarHBondContact O-CB 3.45Å; A462-M465 PolarHBondContact O-N 3.34Å; P463-M465 VanDerWaalsContact C-N 3.27Å; P463-M465 PolarHBondContact O-N 2.88Å | ||
| 466 | E | 88.3 | Confident | 92.8 | Very high | 177 Ų | 177 | 78.8 Ų | 78.8 | 83% | 0.827 | 42% | 0.416 | S | S | * | . | trans | -78.6 | 150.3 | 171.6 | -61.4 | -163.1 | 142.8 | 0 | 0 | 111.3 | T468 | E466-T468 PolarHBondContact O-N 3.24Š| ||
| 467 | P | 89.1 | Confident | 92.7 | Very high | 31 Ų | 31 | 70.2 Ų | 70.2 | 20% | 0.201 | 38% | 0.384 | C | S | . | . | trans | -59.1 | 131.1 | 172.9 | -22.6 | 33.7 | 0 | 0 | 0 | 111.5 | L469 E475 R476 | P467-L469 PolarHBondContact O-N 3.48Å; P467-E475 HydrophobicContact CB-CB 4.15Å; P467-E475 HydrophobicContact CG-CB 4.47Å; P467-R476 CarbonylContact C-O 3.47Å; P467-R476 WeakPolarHBondContact CA-O 3.31Å; P467-R476 WeakPolarHBondContact CB-O 3.18Å | ||
| 468 | T | 89.8 | Confident | 92.6 | Very high | 100 Ų | 100 | 71.8 Ų | 71.8 | 61% | 0.613 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -63.3 | -27 | 178.9 | 58.8 | 0 | 0 | 0 | 0 | 112.7 | E466 R476 | E466-T468 PolarHBondContact O-N 3.24Å; T468-R476 PolarHBondContact N-O 3.32Å; T468-R476 PolarHBondContact OG1-O 3.06Å; T468-R476 VanDerWaalsContact OG1-O 3.08Å |
| 469 | L | 91.9 | Very high | 92.5 | Very high | 69 Ų | 69 | 71.9 Ų | 71.9 | 36% | 0.361 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 131.3 | 172.6 | -173.2 | 126 | 0 | 0 | 0 | 109.3 | P467 T471 Y474 E475 R476 | P467-L469 PolarHBondContact O-N 3.48Å; L469-T471 HydrophobicContact CD2-CG2 3.71Å; L469-Y474 HydrophobicContact CD2-CD2 4.28Å; L469-Y474 HydrophobicContact CD2-CE2 3.28Å; L469-Y474 WeakPolarHBondContact CD2-OH 3.46Å; L469-E475 CarbonylContact O-C 3.57Å; L469-E475 VanDerWaalsContact O-CA 3.31Å; L469-E475 WeakPolarHBondContact O-CA 3.5Å; L469-R476 PolarHBondContact N-O 2.78Å; L469-R476 PolarHBondContact O-N 3.22Å |
| 470 | K | 92.8 | Very high | 92.5 | Very high | 134 Ų | 134 | 75.7 Ų | 75.7 | 58% | 0.583 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130 | 125.6 | 177.4 | -170.6 | 178.1 | -174.6 | -173.2 | 0 | 109.8 | E475 Y498 | K470-E475 HydrophobicContact CB-CB 4.48Å; K470-E475 HydrophobicContact CG-CB 4.22Å; K470-Y498 WeakPolarHBondContact CE-OH 3.42Å |
| 471 | T | 93.9 | Very high | 92.5 | Very high | 46 Ų | 46 | 76 Ų | 76 | 28% | 0.282 | 41% | 0.409 | S | S | . | . | trans | -121.1 | -178.2 | 174.6 | 73.6 | 0 | 0 | 0 | 0 | 109.9 | L469 A473 Y474 Y498 | L469-T471 HydrophobicContact CD2-CG2 3.71Å; T471-A473 VanDerWaalsContact C-N 3.31Å; T471-A473 PolarHBondContact OG1-N 3.07Å; T471-Y474 HydrophobicContact CG2-CD1 4.34Å; T471-Y474 HydrophobicContact CG2-CE1 3.84Å; T471-Y474 HydrophobicContact CG2-CE2 4.29Å; T471-Y474 PolarHBondContact N-O 3.19Å; T471-Y474 VanDerWaalsContact OG1-CD1 3.27Å; T471-Y474 WeakPolarHBondContact OG1-CD1 3.37Å; T471-Y474 PolarHBondContact OG1-N 2.91Å; T471-Y474 PolarHBondContact OG1-O 3.1Å; T471-Y498 WeakPolarHBondContact O-CE2 3.28Å; T471-Y498 PolarHBondContact O-OH 2.98Å | ||
| 472 | N | 92.9 | Very high | 92.8 | Very high | 171 Ų | 171 | 71 Ų | 71 | 91% | 0.914 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -74.3 | -18.8 | 173.5 | -64.4 | -14.7 | 0 | 0 | 0 | 113.3 | Y498 | N472-Y498 WeakPolarHBondContact O-CD2 3.42Š|
| 473 | A | 94.6 | Very high | 93.1 | Very high | 65 Ų | 65 | 71.7 Ų | 71.7 | 54% | 0.537 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -107.5 | -31.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T471 Y498 | T471-A473 VanDerWaalsContact C-N 3.31Å; T471-A473 PolarHBondContact OG1-N 3.07Å; A473-Y498 WeakPolarHBondContact O-CD2 3.49Å; A473-Y498 PolarHBondContact O-N 3.48Å |
| 474 | Y | 94.7 | Very high | 93.4 | Very high | 77 Ų | 77 | 68.4 Ų | 68.4 | 30% | 0.302 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 160.6 | -177.8 | 71.8 | -90.7 | 0 | 0 | 0 | 112.6 | L469 T471 H495 L496 | L469-Y474 HydrophobicContact CD2-CD2 4.28Å; L469-Y474 HydrophobicContact CD2-CE2 3.28Å; L469-Y474 WeakPolarHBondContact CD2-OH 3.46Å; T471-Y474 HydrophobicContact CG2-CD1 4.34Å; T471-Y474 HydrophobicContact CG2-CE1 3.84Å; T471-Y474 HydrophobicContact CG2-CE2 4.29Å; T471-Y474 PolarHBondContact N-O 3.19Å; T471-Y474 VanDerWaalsContact OG1-CD1 3.27Å; T471-Y474 WeakPolarHBondContact OG1-CD1 3.37Å; T471-Y474 PolarHBondContact OG1-N 2.91Å; T471-Y474 PolarHBondContact OG1-O 3.1Å; Y474-H495 AromaticContact CD2-CE1 3.17Å; Y474-H495 WeakPolarHBondContact CD2-CE1 3.37Å; Y474-H495 AromaticContact CD2-ND1 3.57Å; Y474-H495 AromaticContact CD2-NE2 3.99Å; Y474-H495 AromaticContact CE2-CE1 3.39Å; Y474-H495 WeakPolarHBondContact CE2-CE1 3.48Å; Y474-H495 AromaticContact CE2-ND1 3.79Å; Y474-H495 AromaticContact CG-CE1 3.58Å; Y474-H495 AromaticContact CZ-CE1 3.98Å; Y474-L496 CarbonylContact C-O 3.51Å; Y474-L496 WeakPolarHBondContact CA-O 3.39Å; Y474-L496 WeakPolarHBondContact CB-O 3.04Å |
| 475 | E | 95 | Very high | 93.9 | Very high | 9 Ų | 9 | 71.8 Ų | 71.8 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 149.2 | 165.6 | 56.1 | 179.6 | -149.7 | 0 | 0 | 112.1 | R461 P467 L469 K470 Y479 L496 Y498 | R461-E475 IonicContact CZ-OE1 2.76Å; R461-E475 VanDerWaalsContact CZ-OE1 3.29Å; R461-E475 IonicContact CZ-OE2 3.81Å; R461-E475 IonicContact NE-OE1 3.43Å; R461-E475 PolarHBondContact NE-OE1 3.1Å; R461-E475 IonicContact NE-OE2 2.77Å; R461-E475 IonicContact NH2-OE1 3.52Å; R461-E475 PolarHBondContact NH2-OE1 3.36Å; R461-E475 IonicContact NH2-OE2 3.57Å; R461-E475 PolarHBondContact NH2-OE2 2.78Å; P467-E475 HydrophobicContact CB-CB 4.15Å; P467-E475 HydrophobicContact CG-CB 4.47Å; L469-E475 CarbonylContact O-C 3.57Å; L469-E475 VanDerWaalsContact O-CA 3.31Å; L469-E475 WeakPolarHBondContact O-CA 3.5Å; K470-E475 HydrophobicContact CB-CB 4.48Å; K470-E475 HydrophobicContact CG-CB 4.22Å; E475-Y479 VanDerWaalsContact CG-OH 3.23Å; E475-Y479 WeakPolarHBondContact CG-OH 3.46Å; E475-Y479 PolarHBondContact OE1-OH 3.26Å; E475-L496 HydrophobicContact CG-CB 4.31Å; E475-L496 PolarHBondContact N-O 3.38Å; E475-L496 PolarHBondContact O-N 3.2Å; E475-Y498 HydrophobicContact CB-CE1 4.41Å; E475-Y498 HydrophobicContact CG-CE1 3.76Å |
| 476 | R | 94.8 | Very high | 94.4 | Very high | 114 Ų | 114 | 71.6 Ų | 71.6 | 43% | 0.43 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 139.2 | 175.2 | -170.3 | 177.9 | 66.3 | 176.8 | 2.8 | 110 | P467 T468 L469 E493 F494 | P467-R476 CarbonylContact C-O 3.47Å; P467-R476 WeakPolarHBondContact CA-O 3.31Å; P467-R476 WeakPolarHBondContact CB-O 3.18Å; T468-R476 PolarHBondContact N-O 3.32Å; T468-R476 PolarHBondContact OG1-O 3.06Å; T468-R476 VanDerWaalsContact OG1-O 3.08Å; L469-R476 PolarHBondContact N-O 2.78Å; L469-R476 PolarHBondContact O-N 3.22Å; R476-E493 WeakPolarHBondContact CD-OE1 3.48Å; R476-E493 HydrophobicContact CG-CG 4.48Å; R476-E493 IonicContact NE-OE1 3.82Å; R476-F494 WeakPolarHBondContact CA-O 3.42Å; R476-F494 WeakPolarHBondContact CG-O 3.42Å |
| 477 | G | 94 | Very high | 94.8 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170 | -172 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y479 E493 F494 | G477-Y479 VanDerWaalsContact C-CE2 3.45Å; G477-Y479 WeakPolarHBondContact O-CD2 3.44Å; G477-Y479 WeakPolarHBondContact O-CE2 3.27Å; G477-E493 WeakPolarHBondContact O-CA 3.5Å; G477-F494 PolarHBondContact N-O 3.1Å; G477-F494 PolarHBondContact O-N 3.27Å |
| 478 | T | 94.9 | Very high | 95.2 | Very high | 54 Ų | 54 | 73 Ų | 73 | 33% | 0.331 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 124.2 | 176.6 | -55.8 | 0 | 0 | 0 | 0 | 110.5 | A491 | T478-A491 HydrophobicContact CG2-CB 4.34Å |
| 479 | Y | 96.1 | Very high | 95.5 | Very high | 5 Ų | 5 | 72.8 Ų | 72.8 | 2% | 0.02 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 157.5 | -179.7 | -57.5 | -97.6 | 0 | 0 | 0 | 110.1 | I459 T460 R461 E475 G477 A491 K492 F494 L496 | I459-Y479 HydrophobicContact CG2-CD1 4.16Å; I459-Y479 HydrophobicContact CG2-CG 3.97Å; T460-Y479 WeakPolarHBondContact O-CA 3.16Å; T460-Y479 WeakPolarHBondContact O-CB 3.15Å; R461-Y479 HydrophobicContact CB-CD1 4.44Å; R461-Y479 HydrophobicContact CG-CD1 3.79Å; R461-Y479 HydrophobicContact CG-CE1 3.56Å; E475-Y479 VanDerWaalsContact CG-OH 3.23Å; E475-Y479 WeakPolarHBondContact CG-OH 3.46Å; E475-Y479 PolarHBondContact OE1-OH 3.26Å; G477-Y479 VanDerWaalsContact C-CE2 3.45Å; G477-Y479 WeakPolarHBondContact O-CD2 3.44Å; G477-Y479 WeakPolarHBondContact O-CE2 3.27Å; Y479-A491 WeakPolarHBondContact O-CA 3.47Å; Y479-K492 PolarHBondContact N-O 3.12Å; Y479-K492 PolarHBondContact O-N 3.06Å; Y479-F494 HydrophobicContact CD2-CB 3.81Å; Y479-F494 HydrophobicContact CD2-CD2 4.17Å; Y479-F494 HydrophobicContact CD2-CG 4.47Å; Y479-F494 HydrophobicContact CE2-CB 4.23Å; Y479-F494 HydrophobicContact CG-CD2 4.48Å; Y479-L496 HydrophobicContact CD1-CD1 3.76Å; Y479-L496 HydrophobicContact CD2-CD1 4Å; Y479-L496 HydrophobicContact CD2-CG 4.49Å; Y479-L496 HydrophobicContact CE1-CD1 3.48Å; Y479-L496 VanDerWaalsContact CE1-CD1 3.48Å; Y479-L496 HydrophobicContact CE2-CD1 3.73Å; Y479-L496 HydrophobicContact CE2-CG 4.14Å; Y479-L496 HydrophobicContact CG-CD1 4.04Å |
| 480 | Y | 96.8 | Very high | 95.7 | Very high | 85 Ų | 85 | 71.3 Ų | 71.3 | 33% | 0.333 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 131.1 | 162.2 | -73.4 | -68.9 | 0 | 0 | 0 | 109.1 | I459 T460 A462 K489 V490 A491 | I459-Y480 CarbonylContact C-O 3.56Å; I459-Y480 WeakPolarHBondContact CA-O 3.48Å; T460-Y480 PolarHBondContact N-O 2.87Å; T460-Y480 PolarHBondContact O-N 3.23Å; A462-Y480 HydrophobicContact CB-CD2 3.81Å; A462-Y480 HydrophobicContact CB-CE2 3.59Å; Y480-K489 HydrophobicContact CD1-CB 4.31Å; Y480-V490 WeakPolarHBondContact CA-O 3.41Å; Y480-A491 HydrophobicContact CD1-CB 4.09Å; Y480-A491 HydrophobicContact CE1-CB 3.77Å |
| 481 | F | 97.2 | Very high | 95.9 | Very high | 32 Ų | 32 | 67.6 Ų | 67.6 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 154.4 | 161.5 | 78 | -82.4 | 0 | 0 | 0 | 110.4 | V457 W458 I459 D483 K489 V490 K492 F494 | V457-F481 HydrophobicContact CB-CD2 4.29Å; V457-F481 HydrophobicContact CG1-CD2 4.16Å; V457-F481 HydrophobicContact CG2-CB 4.3Å; V457-F481 HydrophobicContact CG2-CD2 4.4Å; W458-F481 CarbonylContact O-C 3.4Å; W458-F481 WeakPolarHBondContact O-CA 3.43Å; W458-F481 WeakPolarHBondContact O-CB 3.46Å; I459-F481 HydrophobicContact CG1-CB 4.1Å; F481-D483 HydrophobicContact CE2-CB 3.85Å; F481-D483 HydrophobicContact CZ-CB 4.43Å; F481-K489 WeakPolarHBondContact O-CA 3.36Å; F481-V490 HydrophobicContact CD1-CB 4.05Å; F481-V490 HydrophobicContact CD1-CG1 4.47Å; F481-V490 WeakPolarHBondContact CD1-O 3.39Å; F481-V490 HydrophobicContact CE1-CB 3.53Å; F481-V490 HydrophobicContact CE1-CG1 3.64Å; F481-V490 HydrophobicContact CE1-CG2 4.48Å; F481-V490 HydrophobicContact CZ-CB 3.81Å; F481-V490 HydrophobicContact CZ-CG1 4.04Å; F481-V490 HydrophobicContact CZ-CG2 4.29Å; F481-V490 PolarHBondContact N-O 3Å; F481-V490 PolarHBondContact O-N 3.33Å; F481-K492 HydrophobicContact CD1-CB 3.98Å; F481-K492 HydrophobicContact CD1-CD 4.32Å; F481-K492 HydrophobicContact CE1-CB 3.86Å; F481-K492 HydrophobicContact CE1-CD 3.89Å; F481-K492 HydrophobicContact CE1-CG 4.49Å; F481-F494 HydrophobicContact CB-CE2 4Å; F481-F494 HydrophobicContact CB-CZ 3.81Å; F481-F494 AromaticContact CD1-CE2 3.74Å; F481-F494 HydrophobicContact CD1-CE2 3.74Å; F481-F494 AromaticContact CD1-CZ 3.67Å; F481-F494 HydrophobicContact CD1-CZ 3.67Å; F481-F494 HydrophobicContact CE1-CZ 4.44Å; F481-F494 HydrophobicContact CG-CE2 4.2Å; F481-F494 AromaticContact CG-CZ 3.86Å; F481-F494 HydrophobicContact CG-CZ 3.86Å |
| 482 | F | 98.2 | Very high | 95.9 | Very high | 7 Ų | 7 | 69.7 Ų | 69.7 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 114.7 | 172.6 | -171.1 | -96.8 | 0 | 0 | 0 | 110.2 | F425 Y429 W449 W458 C484 W487 K489 | F425-F482 HydrophobicContact CB-CD1 4.1Å; F425-F482 HydrophobicContact CB-CE1 3.7Å; F425-F482 HydrophobicContact CB-CE2 4.32Å; F425-F482 HydrophobicContact CB-CZ 3.83Å; F425-F482 HydrophobicContact CD1-CB 4.21Å; F425-F482 AromaticContact CD1-CD1 3.92Å; F425-F482 HydrophobicContact CD1-CD1 3.92Å; F425-F482 HydrophobicContact CD1-CD2 4.47Å; F425-F482 HydrophobicContact CD1-CE1 4.4Å; F425-F482 AromaticContact CD1-CG 3.94Å; F425-F482 HydrophobicContact CD1-CG 3.94Å; F425-F482 HydrophobicContact CD2-CB 4.44Å; F425-F482 HydrophobicContact CD2-CD1 4.14Å; F425-F482 AromaticContact CD2-CD2 3.41Å; F425-F482 HydrophobicContact CD2-CD2 3.41Å; F425-F482 VanDerWaalsContact CD2-CD2 3.41Å; F425-F482 HydrophobicContact CD2-CE1 4.23Å; F425-F482 AromaticContact CD2-CE2 3.53Å; F425-F482 HydrophobicContact CD2-CE2 3.53Å; F425-F482 AromaticContact CD2-CG 3.73Å; F425-F482 HydrophobicContact CD2-CG 3.73Å; F425-F482 AromaticContact CD2-CZ 3.93Å; F425-F482 HydrophobicContact CD2-CZ 3.93Å; F425-F482 HydrophobicContact CE1-CB 3.83Å; F425-F482 HydrophobicContact CE1-CD1 4.4Å; F425-F482 HydrophobicContact CE1-CG 4.01Å; F425-F482 HydrophobicContact CE2-CB 4.07Å; F425-F482 AromaticContact CE2-CD2 3.49Å; F425-F482 HydrophobicContact CE2-CD2 3.49Å; F425-F482 VanDerWaalsContact CE2-CD2 3.49Å; F425-F482 HydrophobicContact CE2-CE2 4.06Å; F425-F482 AromaticContact CE2-CG 3.8Å; F425-F482 HydrophobicContact CE2-CG 3.8Å; F425-F482 AromaticContact CG-CD1 3.79Å; F425-F482 HydrophobicContact CG-CD1 3.79Å; F425-F482 AromaticContact CG-CD2 3.95Å; F425-F482 HydrophobicContact CG-CD2 3.95Å; F425-F482 AromaticContact CG-CE1 3.87Å; F425-F482 HydrophobicContact CG-CE1 3.87Å; F425-F482 HydrophobicContact CG-CE2 4.04Å; F425-F482 AromaticContact CG-CG 3.81Å; F425-F482 HydrophobicContact CG-CG 3.81Å; F425-F482 AromaticContact CG-CZ 3.99Å; F425-F482 HydrophobicContact CG-CZ 3.99Å; F425-F482 HydrophobicContact CZ-CB 3.74Å; F425-F482 HydrophobicContact CZ-CD2 4.08Å; F425-F482 AromaticContact CZ-CG 3.94Å; F425-F482 HydrophobicContact CZ-CG 3.94Å; Y429-F482 HydrophobicContact CD2-CE1 4.41Å; Y429-F482 AromaticContact CE2-CD1 3.82Å; Y429-F482 HydrophobicContact CE2-CD1 3.82Å; Y429-F482 HydrophobicContact CE2-CE1 4.12Å; W449-F482 HydrophobicContact CH2-CB 4.47Å; W449-F482 HydrophobicContact CZ3-CB 4.31Å; W458-F482 PolarHBondContact O-N 2.94Å; F482-C484 HydrophobicContact CD1-CB 4.32Å; F482-C484 HydrophobicContact CE1-CB 4.19Å; F482-C484 PolarHBondContact O-N 3.44Å; F482-W487 HydrophobicContact CE1-CD2 4.36Å; F482-W487 AromaticContact CE1-CE3 3.99Å; F482-W487 HydrophobicContact CE1-CE3 3.99Å; F482-W487 HydrophobicContact CE1-CH2 4.1Å; F482-W487 HydrophobicContact CE1-CZ2 4.48Å; F482-W487 AromaticContact CE1-CZ3 3.86Å; F482-W487 HydrophobicContact CE1-CZ3 3.86Å; F482-W487 AromaticContact CZ-CD2 3.77Å; F482-W487 HydrophobicContact CZ-CD2 3.77Å; F482-W487 AromaticContact CZ-CE2 3.78Å; F482-W487 AromaticContact CZ-CE3 3.88Å; F482-W487 HydrophobicContact CZ-CE3 3.88Å; F482-W487 HydrophobicContact CZ-CG 4.3Å; F482-W487 AromaticContact CZ-CH2 3.97Å; F482-W487 HydrophobicContact CZ-CH2 3.97Å; F482-W487 AromaticContact CZ-CZ2 3.9Å; F482-W487 HydrophobicContact CZ-CZ2 3.9Å; F482-W487 AromaticContact CZ-CZ3 3.98Å; F482-W487 HydrophobicContact CZ-CZ3 3.98Å; F482-K489 HydrophobicContact CD2-CG 4.09Å |
| 483 | D | 97.3 | Very high | 96 | Very high | 21 Ų | 21 | 67 Ų | 67 | 11% | 0.112 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 101.4 | 173.8 | 177.9 | -11.1 | 0 | 0 | 0 | 108.4 | F481 L485 N486 W487 R488 V490 | F481-D483 HydrophobicContact CE2-CB 3.85Å; F481-D483 HydrophobicContact CZ-CB 4.43Å; D483-L485 VanDerWaalsContact C-N 3.29Å; D483-L485 PolarHBondContact O-N 3.32Å; D483-L485 PolarHBondContact OD1-N 3.01Å; D483-L485 VanDerWaalsContact OD1-N 3.08Å; D483-N486 PolarHBondContact OD1-N 3.14Å; D483-N486 PolarHBondContact OD1-ND2 3.4Å; D483-N486 WeakPolarHBondContact OD2-CB 3.45Å; D483-N486 PolarHBondContact OD2-ND2 3.33Å; D483-W487 VanDerWaalsContact O-CA 3.27Å; D483-W487 WeakPolarHBondContact O-CA 3.09Å; D483-W487 PolarHBondContact O-N 2.73Å; D483-R488 HydrophobicContact CB-CG 4.26Å; D483-R488 WeakPolarHBondContact CB-O 3.48Å; D483-R488 PolarHBondContact N-O 3.13Å; D483-R488 PolarHBondContact O-N 2.79Å; D483-R488 IonicContact OD2-NE 3.97Å; D483-R488 IonicContact OD2-NH2 3.06Å; D483-V490 HydrophobicContact CB-CG2 3.86Å |
| 484 | C | 96.3 | Very high | 96 | Very high | 50 Ų | 50 | 64.5 Ų | 64.5 | 34% | 0.338 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -18.6 | -179.2 | 60 | 0 | 0 | 0 | 0 | 113.7 | Y429 F482 | Y429-C484 HydrophobicContact CD1-CB 4.32Å; Y429-C484 HydrophobicContact CD2-CB 4.06Å; Y429-C484 HydrophobicContact CE1-CB 4.12Å; Y429-C484 HydrophobicContact CE2-CB 3.87Å; Y429-C484 HydrophobicContact CG-CB 4.31Å; F482-C484 HydrophobicContact CD1-CB 4.32Å; F482-C484 HydrophobicContact CE1-CB 4.19Å; F482-C484 PolarHBondContact O-N 3.44Å |
| 485 | L | 96 | Very high | 96.1 | Very high | 159 Ų | 159 | 65.2 Ų | 65.2 | 83% | 0.832 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -39.4 | 178.1 | -60.5 | 177.2 | 0 | 0 | 0 | 111.4 | D483 | D483-L485 VanDerWaalsContact C-N 3.29Å; D483-L485 PolarHBondContact O-N 3.32Å; D483-L485 PolarHBondContact OD1-N 3.01Å; D483-L485 VanDerWaalsContact OD1-N 3.08Å |
| 486 | N | 97 | Very high | 96 | Very high | 96 Ų | 96 | 65 Ų | 65 | 51% | 0.513 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 7.2 | 176.4 | -61.9 | -73.7 | 0 | 0 | 0 | 113.6 | D483 R488 | D483-N486 PolarHBondContact OD1-N 3.14Å; D483-N486 PolarHBondContact OD1-ND2 3.4Å; D483-N486 WeakPolarHBondContact OD2-CB 3.45Å; D483-N486 PolarHBondContact OD2-ND2 3.33Å; N486-R488 HydrophobicContact CB-CG 3.99Å; N486-R488 PolarHBondContact O-N 2.86Å |
| 487 | W | 97.3 | Very high | 96.1 | Very high | 103 Ų | 103 | 63.3 Ų | 63.3 | 39% | 0.39 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 54.1 | -179 | -157.1 | -96.6 | 0 | 0 | 0 | 114.7 | D422 F425 F482 D483 | D422-W487 PolarHBondContact OD1-NE1 2.88Å; F425-W487 HydrophobicContact CB-CH2 4.07Å; F425-W487 HydrophobicContact CB-CZ2 4.36Å; F482-W487 HydrophobicContact CE1-CD2 4.36Å; F482-W487 AromaticContact CE1-CE3 3.99Å; F482-W487 HydrophobicContact CE1-CE3 3.99Å; F482-W487 HydrophobicContact CE1-CH2 4.1Å; F482-W487 HydrophobicContact CE1-CZ2 4.48Å; F482-W487 AromaticContact CE1-CZ3 3.86Å; F482-W487 HydrophobicContact CE1-CZ3 3.86Å; F482-W487 AromaticContact CZ-CD2 3.77Å; F482-W487 HydrophobicContact CZ-CD2 3.77Å; F482-W487 AromaticContact CZ-CE2 3.78Å; F482-W487 AromaticContact CZ-CE3 3.88Å; F482-W487 HydrophobicContact CZ-CE3 3.88Å; F482-W487 HydrophobicContact CZ-CG 4.3Å; F482-W487 AromaticContact CZ-CH2 3.97Å; F482-W487 HydrophobicContact CZ-CH2 3.97Å; F482-W487 AromaticContact CZ-CZ2 3.9Å; F482-W487 HydrophobicContact CZ-CZ2 3.9Å; F482-W487 AromaticContact CZ-CZ3 3.98Å; F482-W487 HydrophobicContact CZ-CZ3 3.98Å; D483-W487 VanDerWaalsContact O-CA 3.27Å; D483-W487 WeakPolarHBondContact O-CA 3.09Å; D483-W487 PolarHBondContact O-N 2.73Å |
| 488 | R | 96.9 | Very high | 96.1 | Very high | 134 Ų | 134 | 66.9 Ų | 66.9 | 51% | 0.506 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 157.1 | -174.3 | 64 | -178.4 | -179.2 | -168.7 | -4.6 | 114 | D483 N486 V490 | D483-R488 HydrophobicContact CB-CG 4.26Å; D483-R488 WeakPolarHBondContact CB-O 3.48Å; D483-R488 PolarHBondContact N-O 3.13Å; D483-R488 PolarHBondContact O-N 2.79Å; D483-R488 IonicContact OD2-NE 3.97Å; D483-R488 IonicContact OD2-NH2 3.06Å; N486-R488 HydrophobicContact CB-CG 3.99Å; N486-R488 PolarHBondContact O-N 2.86Å; R488-V490 HydrophobicContact CG-CG2 3.82Å |
| 489 | K | 96.8 | Very high | 96.1 | Very high | 97 Ų | 97 | 70.1 Ų | 70.1 | 42% | 0.422 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 129.9 | 166.8 | -65.3 | -170.1 | -73.1 | -173.3 | 0 | 110.1 | E421 W449 Y480 F481 F482 | E421-K489 IonicContact OE1-NZ 2.67Å; E421-K489 PolarHBondContact OE1-NZ 3.03Å; E421-K489 IonicContact OE2-NZ 2.75Å; E421-K489 PolarHBondContact OE2-NZ 3.35Å; W449-K489 HydrophobicContact CH2-CD 3.63Å; W449-K489 HydrophobicContact CH2-CG 4.06Å; W449-K489 HydrophobicContact CZ2-CD 3.67Å; Y480-K489 HydrophobicContact CD1-CB 4.31Å; F481-K489 WeakPolarHBondContact O-CA 3.36Å; F482-K489 HydrophobicContact CD2-CG 4.09Å |
| 490 | V | 97 | Very high | 96.1 | Very high | 37 Ų | 37 | 72.4 Ų | 72.4 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128.9 | -178.3 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | Y480 F481 D483 R488 | Y480-V490 WeakPolarHBondContact CA-O 3.41Å; F481-V490 HydrophobicContact CD1-CB 4.05Å; F481-V490 HydrophobicContact CD1-CG1 4.47Å; F481-V490 WeakPolarHBondContact CD1-O 3.39Å; F481-V490 HydrophobicContact CE1-CB 3.53Å; F481-V490 HydrophobicContact CE1-CG1 3.64Å; F481-V490 HydrophobicContact CE1-CG2 4.48Å; F481-V490 HydrophobicContact CZ-CB 3.81Å; F481-V490 HydrophobicContact CZ-CG1 4.04Å; F481-V490 HydrophobicContact CZ-CG2 4.29Å; F481-V490 PolarHBondContact N-O 3Å; F481-V490 PolarHBondContact O-N 3.33Å; D483-V490 HydrophobicContact CB-CG2 3.86Å; R488-V490 HydrophobicContact CG-CG2 3.82Å |
| 491 | A | 96 | Very high | 96 | Very high | 57 Ų | 57 | 69.3 Ų | 69.3 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 129.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | T478 Y479 Y480 | T478-A491 HydrophobicContact CG2-CB 4.34Å; Y479-A491 WeakPolarHBondContact O-CA 3.47Å; Y480-A491 HydrophobicContact CD1-CB 4.09Å; Y480-A491 HydrophobicContact CE1-CB 3.77Å |
| 492 | K | 95.1 | Very high | 95.9 | Very high | 89 Ų | 89 | 72 Ų | 72 | 39% | 0.387 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 148.3 | 178 | -175.9 | -172.6 | 168.1 | -164.4 | 0 | 109.3 | E455 Y479 F481 F494 | E455-K492 IonicContact OE2-NZ 2.71Å; E455-K492 PolarHBondContact OE2-NZ 2.87Å; Y479-K492 PolarHBondContact N-O 3.12Å; Y479-K492 PolarHBondContact O-N 3.06Å; F481-K492 HydrophobicContact CD1-CB 3.98Å; F481-K492 HydrophobicContact CD1-CD 4.32Å; F481-K492 HydrophobicContact CE1-CB 3.86Å; F481-K492 HydrophobicContact CE1-CD 3.89Å; F481-K492 HydrophobicContact CE1-CG 4.49Å; K492-F494 HydrophobicContact CB-CD2 4.19Å; K492-F494 HydrophobicContact CB-CE2 3.73Å; K492-F494 HydrophobicContact CB-CZ 4.37Å; K492-F494 HydrophobicContact CD-CE1 4.21Å; K492-F494 HydrophobicContact CD-CE2 3.97Å; K492-F494 HydrophobicContact CD-CZ 3.77Å; K492-F494 HydrophobicContact CG-CD2 4.45Å; K492-F494 HydrophobicContact CG-CE2 4.15Å; K492-F494 HydrophobicContact CG-CZ 4.45Å; K492-F494 WeakPolarHBondContact O-CD2 3.34Å |
| 493 | E | 94.8 | Very high | 95.6 | Very high | 116 Ų | 116 | 79.2 Ų | 79.2 | 54% | 0.542 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 129.4 | 167.3 | -170.8 | -179.5 | 177.5 | 0 | 0 | 109.3 | R476 G477 | R476-E493 WeakPolarHBondContact CD-OE1 3.48Å; R476-E493 HydrophobicContact CG-CG 4.48Å; R476-E493 IonicContact NE-OE1 3.82Å; G477-E493 WeakPolarHBondContact O-CA 3.5Å |
| 494 | F | 94.9 | Very high | 95.4 | Very high | 12 Ų | 12 | 85.7 Ų | 85.7 | 5% | 0.053 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 146.4 | 173.7 | -72.7 | -94.1 | 0 | 0 | 0 | 111.1 | I459 R476 G477 Y479 F481 K492 L496 | I459-F494 HydrophobicContact CD1-CD1 3.92Å; I459-F494 HydrophobicContact CD1-CE1 3.7Å; I459-F494 HydrophobicContact CD1-CE2 4.36Å; I459-F494 HydrophobicContact CD1-CG 4.35Å; I459-F494 HydrophobicContact CD1-CZ 3.92Å; I459-F494 HydrophobicContact CG1-CZ 4.39Å; I459-F494 HydrophobicContact CG2-CD2 4.49Å; I459-F494 HydrophobicContact CG2-CE2 4.47Å; R476-F494 WeakPolarHBondContact CA-O 3.42Å; R476-F494 WeakPolarHBondContact CG-O 3.42Å; G477-F494 PolarHBondContact N-O 3.1Å; G477-F494 PolarHBondContact O-N 3.27Å; Y479-F494 HydrophobicContact CD2-CB 3.81Å; Y479-F494 HydrophobicContact CD2-CD2 4.17Å; Y479-F494 HydrophobicContact CD2-CG 4.47Å; Y479-F494 HydrophobicContact CE2-CB 4.23Å; Y479-F494 HydrophobicContact CG-CD2 4.48Å; F481-F494 HydrophobicContact CB-CE2 4Å; F481-F494 HydrophobicContact CB-CZ 3.81Å; F481-F494 AromaticContact CD1-CE2 3.74Å; F481-F494 HydrophobicContact CD1-CE2 3.74Å; F481-F494 AromaticContact CD1-CZ 3.67Å; F481-F494 HydrophobicContact CD1-CZ 3.67Å; F481-F494 HydrophobicContact CE1-CZ 4.44Å; F481-F494 HydrophobicContact CG-CE2 4.2Å; F481-F494 AromaticContact CG-CZ 3.86Å; F481-F494 HydrophobicContact CG-CZ 3.86Å; K492-F494 HydrophobicContact CB-CD2 4.19Å; K492-F494 HydrophobicContact CB-CE2 3.73Å; K492-F494 HydrophobicContact CB-CZ 4.37Å; K492-F494 HydrophobicContact CD-CE1 4.21Å; K492-F494 HydrophobicContact CD-CE2 3.97Å; K492-F494 HydrophobicContact CD-CZ 3.77Å; K492-F494 HydrophobicContact CG-CD2 4.45Å; K492-F494 HydrophobicContact CG-CE2 4.15Å; K492-F494 HydrophobicContact CG-CZ 4.45Å; K492-F494 WeakPolarHBondContact O-CD2 3.34Å; F494-L496 HydrophobicContact CB-CD2 3.62Å; F494-L496 HydrophobicContact CB-CG 3.82Å; F494-L496 HydrophobicContact CD1-CD2 4.15Å; F494-L496 HydrophobicContact CG-CD2 4.08Å |
| 495 | H | 95 | Very high | 95.1 | Very high | 91 Ų | 91 | 84.6 Ų | 84.6 | 42% | 0.421 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 107.6 | 158.9 | 179.6 | 87.3 | 0 | 0 | 0 | 107 | Y474 | Y474-H495 AromaticContact CD2-CE1 3.17Å; Y474-H495 WeakPolarHBondContact CD2-CE1 3.37Å; Y474-H495 AromaticContact CD2-ND1 3.57Å; Y474-H495 AromaticContact CD2-NE2 3.99Å; Y474-H495 AromaticContact CE2-CE1 3.39Å; Y474-H495 WeakPolarHBondContact CE2-CE1 3.48Å; Y474-H495 AromaticContact CE2-ND1 3.79Å; Y474-H495 AromaticContact CG-CE1 3.58Å; Y474-H495 AromaticContact CZ-CE1 3.98Å |
| 496 | L | 94.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 84.1 Ų | 84.1 | 3% | 0.026 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 101.1 | -174.7 | -60.2 | -178.8 | 0 | 0 | 0 | 109.8 | I459 Y474 E475 Y479 F494 L501 | I459-L496 HydrophobicContact CD1-CD2 3.72Å; I459-L496 HydrophobicContact CG2-CD1 4.28Å; Y474-L496 CarbonylContact C-O 3.51Å; Y474-L496 WeakPolarHBondContact CA-O 3.39Å; Y474-L496 WeakPolarHBondContact CB-O 3.04Å; E475-L496 HydrophobicContact CG-CB 4.31Å; E475-L496 PolarHBondContact N-O 3.38Å; E475-L496 PolarHBondContact O-N 3.2Å; Y479-L496 HydrophobicContact CD1-CD1 3.76Å; Y479-L496 HydrophobicContact CD2-CD1 4Å; Y479-L496 HydrophobicContact CD2-CG 4.49Å; Y479-L496 HydrophobicContact CE1-CD1 3.48Å; Y479-L496 VanDerWaalsContact CE1-CD1 3.48Å; Y479-L496 HydrophobicContact CE2-CD1 3.73Å; Y479-L496 HydrophobicContact CE2-CG 4.14Å; Y479-L496 HydrophobicContact CG-CD1 4.04Å; F494-L496 HydrophobicContact CB-CD2 3.62Å; F494-L496 HydrophobicContact CB-CG 3.82Å; F494-L496 HydrophobicContact CD1-CD2 4.15Å; F494-L496 HydrophobicContact CG-CD2 4.08Å; L496-L501 HydrophobicContact CD2-CD2 4.47Å |
| 497 | E | 95.8 | Very high | 94.1 | Very high | 79 Ų | 79 | 82.3 Ų | 82.3 | 37% | 0.369 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 128.4 | 164.8 | -70 | 177.4 | -169.6 | 0 | 0 | 109.4 | D499 K500 | E497-D499 VanDerWaalsContact C-N 3.26Å; E497-D499 PolarHBondContact O-N 2.94Å; E497-K500 HydrophobicContact CB-CB 4.27Å; E497-K500 HydrophobicContact CB-CG 3.67Å; E497-K500 PolarHBondContact O-N 2.83Å; E497-K500 VanDerWaalsContact O-N 3.1Å; E497-K500 WeakPolarHBondContact OE2-CE 3.19Å; E497-K500 WeakPolarHBondContact OE2-CG 3.41Å |
| 498 | Y | 94.1 | Very high | 93.5 | Very high | 76 Ų | 76 | 80.4 Ų | 80.4 | 30% | 0.298 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -66 | -29 | -175 | -55.9 | -57.1 | 0 | 0 | 0 | 112.9 | K470 T471 N472 A473 E475 K500 L501 | K470-Y498 WeakPolarHBondContact CE-OH 3.42Å; T471-Y498 WeakPolarHBondContact O-CE2 3.28Å; T471-Y498 PolarHBondContact O-OH 2.98Å; N472-Y498 WeakPolarHBondContact O-CD2 3.42Å; A473-Y498 WeakPolarHBondContact O-CD2 3.49Å; A473-Y498 PolarHBondContact O-N 3.48Å; E475-Y498 HydrophobicContact CB-CE1 4.41Å; E475-Y498 HydrophobicContact CG-CE1 3.76Å; Y498-K500 VanDerWaalsContact C-N 3.27Å; Y498-K500 PolarHBondContact O-N 2.87Å; Y498-L501 HydrophobicContact CD1-CD1 4.49Å; Y498-L501 PolarHBondContact O-N 3.37Å |
| 499 | D | 95.4 | Very high | 92.4 | Very high | 122 Ų | 122 | 79.8 Ų | 79.8 | 65% | 0.652 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -63.3 | -32 | 174.8 | -177.1 | 60.3 | 0 | 0 | 0 | 112.6 | K453 E497 L501 | K453-D499 PolarHBondContact NZ-O 3.15Å; E497-D499 VanDerWaalsContact C-N 3.26Å; E497-D499 PolarHBondContact O-N 2.94Å; D499-L501 VanDerWaalsContact C-N 3.31Å |
| 500 | K | 95.6 | Very high | 90.9 | Very high | 52 Ų | 52 | 80.8 Ų | 80.8 | 23% | 0.226 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -80.7 | -11.6 | 179.1 | -53.4 | -58.1 | -170.2 | 173.3 | 0 | 113.3 | K453 E454 E497 Y498 | K453-K500 WeakPolarHBondContact CB-O 3.44Å; K453-K500 WeakPolarHBondContact CG-O 3.29Å; K453-K500 PolarHBondContact N-O 3.08Å; E454-K500 HydrophobicContact CG-CD 4.39Å; E454-K500 WeakPolarHBondContact OE1-CD 3.17Å; E454-K500 WeakPolarHBondContact OE1-CE 3.36Å; E454-K500 IonicContact OE1-NZ 2.73Å; E454-K500 PolarHBondContact OE1-NZ 2.97Å; E454-K500 IonicContact OE2-NZ 3.63Å; E497-K500 HydrophobicContact CB-CB 4.27Å; E497-K500 HydrophobicContact CB-CG 3.67Å; E497-K500 PolarHBondContact O-N 2.83Å; E497-K500 VanDerWaalsContact O-N 3.1Å; E497-K500 WeakPolarHBondContact OE2-CE 3.19Å; E497-K500 WeakPolarHBondContact OE2-CG 3.41Å; Y498-K500 VanDerWaalsContact C-N 3.27Å; Y498-K500 PolarHBondContact O-N 2.87Å |
| 501 | L | 95.4 | Very high | 89.3 | Confident | 21 Ų | 21 | 84.5 Ų | 84.5 | 11% | 0.11 | 43% | 0.429 | C | S | . | . | B | Isolated β-bridge | trans | -84.5 | 145.6 | 171.5 | -60.6 | 180 | 0 | 0 | 0 | 110 | R450 Y451 H452 K453 L496 Y498 D499 | R450-L501 HydrophobicContact CB-CD1 4.34Å; R450-L501 HydrophobicContact CB-CD2 4.33Å; Y451-L501 CarbonylContact O-C 3.56Å; Y451-L501 WeakPolarHBondContact O-CA 3.48Å; H452-L501 HydrophobicContact CB-CD2 4.25Å; K453-L501 WeakPolarHBondContact CE-O 3.39Å; K453-L501 PolarHBondContact NZ-O 3.08Å; L496-L501 HydrophobicContact CD2-CD2 4.47Å; Y498-L501 HydrophobicContact CD1-CD1 4.49Å; Y498-L501 PolarHBondContact O-N 3.37Å; D499-L501 VanDerWaalsContact C-N 3.31Å |
| 502 | E | 94.1 | Very high | 87.9 | Confident | 88 Ų | 88 | 90.2 Ų | 90.2 | 41% | 0.411 | 45% | 0.451 | S | S | . | . | trans | -71.6 | 145.2 | 168.4 | -85 | -59.4 | 163.3 | 0 | 0 | 112.2 | Y451 K453 | Y451-E502 HydrophobicContact CD1-CG 4.03Å; Y451-E502 PolarHBondContact O-N 2.88Å; K453-E502 WeakPolarHBondContact CE-OE1 3.5Å; K453-E502 HydrophobicContact CG-CG 3.9Å; K453-E502 WeakPolarHBondContact CG-OE1 3.16Å | ||
| 503 | E | 93.3 | Very high | 87 | Confident | 159 Ų | 159 | 91.7 Ų | 91.7 | 74% | 0.743 | 46% | 0.455 | S | S | * | . | trans | -74.3 | -172.5 | 168 | -66.3 | -160.4 | 165.1 | 0 | 0 | 110.5 | P505 | E503-P505 WeakPolarHBondContact O-CD 3.06Š| ||
| 504 | R | 92.1 | Very high | 86.3 | Confident | 156 Ų | 156 | 89.6 Ų | 89.6 | 59% | 0.589 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -62.8 | 123.6 | 175.1 | -174.2 | 178.4 | -173.5 | 166.8 | 7.5 | 109.5 | F445 H506 | F445-R504 HydrophobicContact CD1-CB 4.22Å; F445-R504 HydrophobicContact CD1-CG 4Å; F445-R504 HydrophobicContact CE1-CB 3.87Å; F445-R504 HydrophobicContact CE1-CG 4.06Å; F445-R504 HydrophobicContact CE2-CB 4.24Å; F445-R504 HydrophobicContact CG-CG 4.43Å; F445-R504 HydrophobicContact CZ-CB 3.87Å; R504-H506 PolarHBondContact O-N 3.39Å |
| 505 | P | 90.4 | Very high | 85.5 | Confident | 28 Ų | 28 | 92.5 Ų | 92.5 | 18% | 0.182 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 128.1 | -177 | -23.6 | 32.5 | 0 | 0 | 0 | 112.2 | L438 A441 V442 E503 | L438-P505 HydrophobicContact CD1-CB 3.61Å; A441-P505 HydrophobicContact CB-CB 4.24Å; A441-P505 HydrophobicContact CB-CG 3.78Å; V442-P505 HydrophobicContact CG2-CB 4Å; V442-P505 HydrophobicContact CG2-CG 4.43Å; E503-P505 WeakPolarHBondContact O-CD 3.06Å |
| 506 | H | 87.6 | Confident | 84.7 | Confident | 149 Ų | 149 | 90 Ų | 90 | 69% | 0.69 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -84.8 | 120 | -179.4 | 177.5 | 77.7 | 0 | 0 | 0 | 110.9 | L438 R504 P508 | L438-H506 WeakPolarHBondContact CD2-O 3.35Å; R504-H506 PolarHBondContact O-N 3.39Å; H506-P508 WeakPolarHBondContact O-CD 3.15Å |
| 507 | V | 84.8 | Confident | 84 | Confident | 58 Ų | 58 | 97.3 Ų | 97.3 | 35% | 0.352 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 116.5 | 176.2 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | L435 L438 L439 V442 S509 | L435-V507 HydrophobicContact CD1-CG1 3.87Å; L438-V507 HydrophobicContact CD2-CB 4.45Å; L438-V507 HydrophobicContact CD2-CG2 4.37Å; L438-V507 HydrophobicContact CG-CG2 4.24Å; L439-V507 HydrophobicContact CD2-CG2 4.43Å; V442-V507 HydrophobicContact CG2-CG2 3.97Å; V507-S509 PolarHBondContact O-N 2.97Å |
| 508 | P | 83.2 | Confident | 83.1 | Confident | 63 Ų | 63 | 99.8 Ų | 99.8 | 41% | 0.409 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 136.2 | 176 | -23.9 | 34.1 | 0 | 0 | 0 | 112 | H506 | H506-P508 WeakPolarHBondContact O-CD 3.15Š|
| 509 | S | 74.8 | Confident | 82.2 | Confident | 121 Ų | 121 | 97.7 Ų | 97.7 | 85% | 0.846 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -83.6 | -12.5 | -177.8 | 46.6 | 0 | 0 | 0 | 0 | 114.4 | V507 | V507-S509 PolarHBondContact O-N 2.97Š|
| 510 | T | 65.1 | Low | 81 | Confident | 118 Ų | 118 | 101.8 Ų | 101.8 | 72% | 0.724 | 52% | 0.519 | S | S | * | . | trans | -132.2 | 131.1 | 174.7 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 511 | F | 63.8 | Low | 80.3 | Confident | 114 Ų | 114 | 104.3 Ų | 104.3 | 50% | 0.5 | 53% | 0.534 | S | S | . | . | trans | -120.1 | 53.9 | -175.1 | -150.3 | -89.5 | 0 | 0 | 0 | 111.6 | L435 Y513 | L435-F511 HydrophobicContact CB-CE2 4.29Å; F511-Y513 VanDerWaalsContact C-N 3.25Å; F511-Y513 PolarHBondContact O-N 3.26Å | ||
| 512 | N | 65.1 | Low | 79.5 | Confident | 177 Ų | 177 | 108.6 Ų | 108.6 | 95% | 0.947 | 56% | 0.556 | S | S | * | * | trans | -93 | 61.2 | 165.1 | -80.7 | -11.3 | 0 | 0 | 0 | 108.9 | ||||
| 513 | Y | 76.4 | Confident | 78.7 | Confident | 121 Ų | 121 | 109.8 Ų | 109.8 | 48% | 0.475 | 56% | 0.564 | S | S | . | * | trans | -119.6 | 122.4 | 179.9 | -176.9 | -104.4 | 0 | 0 | 0 | 109.5 | F511 P515 | F511-Y513 VanDerWaalsContact C-N 3.25Å; F511-Y513 PolarHBondContact O-N 3.26Å; Y513-P515 HydrophobicContact CE1-CB 3.77Å; Y513-P515 HydrophobicContact CE1-CG 4.16Å | ||
| 514 | N | 80.1 | Confident | 77.8 | Confident | 72 Ų | 72 | 106.9 Ų | 106.9 | 39% | 0.385 | 55% | 0.553 | S | S | . | * | trans | -122.1 | 107.1 | 169.5 | -179.2 | -4 | 0 | 0 | 0 | 107.8 | A516 Q517 | N514-A516 PolarHBondContact O-N 2.97Å; N514-A516 WeakPolarHBondContact OD1-CB 2.91Å; N514-A516 PolarHBondContact OD1-N 2.98Å; N514-A516 VanDerWaalsContact OD1-N 3.12Å; N514-Q517 HydrophobicContact CB-CB 4.45Å; N514-Q517 HydrophobicContact CB-CG 4.08Å; N514-Q517 PolarHBondContact O-N 3.34Å | ||
| 515 | P | 79.1 | Confident | 76.9 | Confident | 73 Ų | 73 | 103.8 Ų | 103.8 | 47% | 0.474 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -60 | -29.9 | -177.3 | 22.3 | -31.5 | 0 | 0 | 0 | 112.4 | Y513 Q517 Q518 A519 | Y513-P515 HydrophobicContact CE1-CB 3.77Å; Y513-P515 HydrophobicContact CE1-CG 4.16Å; P515-Q517 PolarHBondContact O-N 2.72Å; P515-Q518 CarbonylContact O-C 3.36Å; P515-Q518 PolarHBondContact O-N 2.97Å; P515-A519 PolarHBondContact O-N 3.17Å; P515-A519 VanDerWaalsContact O-N 3.12Å |
| 516 | A | 78.9 | Confident | 76 | Confident | 38 Ų | 38 | 108.9 Ų | 108.9 | 31% | 0.314 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -67.2 | -18.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | W383 N514 Q518 | W383-A516 HydrophobicContact CB-CB 3.68Å; W383-A516 HydrophobicContact CG-CB 4.15Å; N514-A516 PolarHBondContact O-N 2.97Å; N514-A516 WeakPolarHBondContact OD1-CB 2.91Å; N514-A516 PolarHBondContact OD1-N 2.98Å; N514-A516 VanDerWaalsContact OD1-N 3.12Å; A516-Q518 VanDerWaalsContact C-N 3.33Å |
| 517 | Q | 78.8 | Confident | 75.2 | Confident | 158 Ų | 158 | 106 Ų | 106 | 74% | 0.738 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -84.3 | -9.6 | 173.5 | -69 | 178 | -15.1 | 0 | 0 | 113.2 | N514 P515 | N514-Q517 HydrophobicContact CB-CB 4.45Å; N514-Q517 HydrophobicContact CB-CG 4.08Å; N514-Q517 PolarHBondContact O-N 3.34Å; P515-Q517 PolarHBondContact O-N 2.72Å |
| 518 | Q | 77.4 | Confident | 74.4 | Confident | 132 Ų | 132 | 109.7 Ų | 109.7 | 62% | 0.617 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -127.6 | 21.2 | -178.3 | -58.3 | -178.6 | 9.1 | 0 | 0 | 110.9 | P515 A516 | P515-Q518 CarbonylContact O-C 3.36Å; P515-Q518 PolarHBondContact O-N 2.97Å; A516-Q518 VanDerWaalsContact C-N 3.33Å |
| 519 | A | 74.1 | Confident | 73.7 | Confident | 31 Ų | 31 | 113.6 Ų | 113.6 | 26% | 0.256 | 60% | 0.599 | S | S | . | * | trans | -75.8 | 134.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | P515 | P515-A519 PolarHBondContact O-N 3.17Å; P515-A519 VanDerWaalsContact O-N 3.12Å | ||
| 520 | F | 71 | Confident | 73.6 | Confident | 208 Ų | 208 | 112.9 Ų | 112.9 | 91% | 0.912 | 58% | 0.577 | S | S | * | * | trans | 74.8 | 0 | -176.4 | -48.1 | -83 | 0 | 0 | 0 | 114.8 | L365 | L365-F520 HydrophobicContact CD2-CD1 4.4Å; L365-F520 HydrophobicContact CD2-CE1 3.73Å |
Retrieved 520 of 520 residues in 506.8 ms
(Link to these results)