| 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 | 38.1 | Very low | 40.4 | Very low | 232 Ų | 232 | 145 Ų | 145 | 100% | 1.143 | 83% | 0.834 | S | S | * | * | 0 | 104.2 | 0 | -68.6 | -171.4 | 174.9 | 0 | 0 | 107.1 | |||||
| 2 | L | 36.8 | Very low | 40.2 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 81% | 0.812 | 84% | 0.837 | S | S | * | * | 65.9 | 117.6 | 109.4 | -88.7 | 150.9 | 0 | 0 | 0 | 111.7 | |||||
| 3 | K | 40.8 | Very low | 40.2 | Very low | 182 Ų | 182 | 140.2 Ų | 140.2 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | cis | -162.2 | 134.6 | 35.2 | -70 | 153.7 | 179.6 | -179.1 | 0 | 107.8 | ||||
| 4 | S | 42.3 | Very low | 40.2 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 74% | 0.741 | 84% | 0.84 | S | S | * | * | 41.8 | 117.9 | 84.4 | -163 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 5 | V | 46.5 | Very low | 40 | Very low | 147 Ų | 147 | 148.4 Ų | 148.4 | 89% | 0.891 | 84% | 0.835 | S | S | * | * | -157 | 130.8 | 129.2 | 173 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 6 | V | 45.5 | Very low | 39.8 | Very low | 119 Ų | 119 | 146 Ų | 146 | 72% | 0.721 | 83% | 0.831 | S | S | * | * | trans | -90 | 149.3 | 173.5 | 168.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 7 | R | 39.8 | Very low | 39.5 | Very low | 251 Ų | 251 | 144.4 Ų | 144.4 | 95% | 0.947 | 83% | 0.83 | S | S | * | * | trans | -156.2 | 132.2 | 140.5 | -132.3 | 172.6 | -175.1 | 158.3 | 0.9 | 113.6 | ||||
| 8 | A | 41.5 | Very low | 39.5 | Very low | 79 Ų | 79 | 141.8 Ų | 141.8 | 65% | 0.653 | 83% | 0.83 | S | S | * | * | trans | -104.1 | -169.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 9 | V | 39.3 | Very low | 39.3 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 92% | 0.915 | 83% | 0.826 | S | S | * | * | trans | 95.6 | 130.4 | 164 | -165.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 10 | G | 34 | Very low | 39.1 | Very low | 63 Ų | 63 | 138 Ų | 138 | 65% | 0.649 | 83% | 0.825 | S | S | * | * | cis | -169.3 | 145.9 | 4.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 11 | A | 39.4 | Very low | 38.9 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | 67.4 | 111.2 | 94 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 12 | A | 37.9 | Very low | 38.8 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | trans | -156.8 | 109.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 13 | V | 41.1 | Very low | 38.7 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 74% | 0.739 | 81% | 0.812 | S | S | * | * | trans | -82.2 | 140.9 | 165.2 | 164.1 | 0 | 0 | 0 | 0 | 108.8 | L15 | V13-L15 HydrophobicContact CG1-CD1 4.37Š| ||
| 14 | R | 39.2 | Very low | 38.7 | Very low | 257 Ų | 257 | 131.8 Ų | 131.8 | 97% | 0.97 | 82% | 0.82 | S | S | * | * | trans | -141.8 | 133.1 | 146.2 | -75.3 | -160.9 | 174.6 | -174.8 | -1 | 111.3 | ||||
| 15 | L | 38.3 | Very low | 38.3 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 76% | 0.764 | 82% | 0.819 | S | S | * | * | trans | -112.5 | 153 | -178 | -102.5 | 151.2 | 0 | 0 | 0 | 109.4 | V13 | V13-L15 HydrophobicContact CG1-CD1 4.37Š| ||
| 16 | S | 35.8 | Very low | 38 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | 76.8 | 144.3 | 154.7 | -49 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 17 | S | 34.6 | Very low | 38.1 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | cis | -164.1 | 162.6 | 34.1 | 52.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 18 | A | 39.3 | Very low | 37.9 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -74 | 159.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 19 | A | 36.3 | Very low | 37.6 | Very low | 92 Ų | 92 | 129 Ų | 129 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | trans | 178.8 | 123.8 | 130.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 20 | S | 35.3 | Very low | 37.7 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | 58.2 | 129.7 | 127.7 | -46.1 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 21 | S | 34.6 | Very low | 37.9 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | 83.8 | 113.7 | 141.2 | -71 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 22 | A | 37.1 | Very low | 37.7 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | 179 | 138.1 | 99.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 23 | A | 34.3 | Very low | 37.6 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -81.2 | 151.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 24 | R | 39.7 | Very low | 37.3 | Very low | 254 Ų | 254 | 137.9 Ų | 137.9 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | trans | -140.5 | 121.4 | 142.8 | -80.1 | -165.3 | 173.5 | 172.6 | -1.5 | 110.3 | ||||
| 25 | A | 35.4 | Very low | 37.3 | Very low | 87 Ų | 87 | 131 Ų | 131 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | trans | -74.3 | 156.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 26 | L | 40.2 | Very low | 37.5 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | 179 | 178.5 | 62.6 | -80.9 | 170.7 | 0 | 0 | 0 | 107.2 | |||||
| 27 | P | 46.3 | Very low | 37.3 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | cis | -126.2 | 168.4 | -23 | 28.6 | -8.4 | 0 | 0 | 0 | 113.9 | ||||
| 28 | L | 35.8 | Very low | 37.4 | Very low | 157 Ų | 157 | 127.8 Ų | 127.8 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -63 | 146.9 | 166 | -77.2 | 82.1 | 0 | 0 | 0 | 112.6 | ||||
| 29 | S | 35.3 | Very low | 37.3 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -157 | 112.9 | 133.1 | -76.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 30 | C | 41.8 | Very low | 37.3 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | trans | -72.1 | 157 | 162.2 | -80.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 31 | P | 38.8 | Very low | 37.7 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | -139 | 149.1 | 103.5 | 31.2 | -15.5 | 0 | 0 | 0 | 114.4 | |||||
| 32 | T | 34.9 | Very low | 38.5 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | trans | -80.5 | 139.4 | 172.6 | 46.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 33 | L | 36 | Very low | 39 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | trans | 60 | 109.4 | 134.7 | -85.1 | 156.3 | 0 | 0 | 0 | 120.1 | ||||
| 34 | R | 33.4 | Very low | 39.4 | Very low | 229 Ų | 229 | 140.8 Ų | 140.8 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | 149.3 | 129.3 | 109.2 | -90.1 | 170.7 | -178.8 | -163.6 | 0.3 | 112.1 | |||||
| 35 | S | 39.6 | Very low | 39.6 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -75.4 | 147.4 | 154.4 | -169.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 36 | P | 42.9 | Very low | 40.4 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | -146 | 148.4 | 95.3 | 35.9 | -18.7 | 0 | 0 | 0 | 115.4 | |||||
| 37 | G | 32.2 | Very low | 41 | Very low | 66 Ų | 66 | 139.5 Ų | 139.5 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | 83.1 | 111.6 | 129.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 38 | S | 36.1 | Very low | 41.3 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | 47.5 | 126.1 | 126.3 | -138.8 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 39 | A | 36.6 | Very low | 41.8 | Very low | 88 Ų | 88 | 143.3 Ų | 143.3 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 59.4 | 145.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 40 | T | 37.4 | Very low | 42.2 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | cis | -175.1 | 139.1 | 43.4 | -24.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 41 | I | 43 | Very low | 42.2 | Very low | 150 Ų | 150 | 148 Ų | 148 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 31 | 117.4 | 140.1 | -54 | 170.6 | 0 | 0 | 0 | 118.1 | P43 | I41-P43 WeakPolarHBondContact O-CD 3.41Š| ||
| 42 | R | 51.4 | Low | 42.1 | Very low | 233 Ų | 233 | 151.3 Ų | 151.3 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -73.8 | 133.2 | 163.5 | -58.7 | 178.7 | -176.3 | -143.8 | 0.8 | 110.5 | ||||
| 43 | P | 47.3 | Very low | 42.4 | Very low | 107 Ų | 107 | 153.2 Ų | 153.2 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | trans | -111.9 | 127.4 | 152.3 | 31.8 | -20.6 | 0 | 0 | 0 | 110.6 | I41 T45 | I41-P43 WeakPolarHBondContact O-CD 3.41Å; P43-T45 PolarHBondContact O-N 2.87Å | ||
| 44 | F | 42.4 | Very low | 42.7 | Very low | 205 Ų | 205 | 153.9 Ų | 153.9 | 90% | 0.899 | 81% | 0.805 | S | S | * | * | trans | -58.8 | 116.8 | 164.2 | -80.2 | -92 | 0 | 0 | 0 | 109.7 | R46 | F44-R46 PolarHBondContact O-N 2.64Š| ||
| 45 | T | 43.9 | Very low | 42.9 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -84.1 | 109.9 | 168.2 | 56.6 | 0 | 0 | 0 | 0 | 109.2 | P43 | P43-T45 PolarHBondContact O-N 2.87Š| ||
| 46 | R | 54.1 | Low | 42.8 | Very low | 239 Ų | 239 | 146 Ų | 146 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -116.1 | 127.4 | 154.2 | -77.6 | -171.3 | 179.7 | -112.8 | 2.1 | 108.9 | F44 | F44-R46 PolarHBondContact O-N 2.64Š| ||
| 47 | S | 52.4 | Low | 42.6 | Very low | 100 Ų | 100 | 145.9 Ų | 145.9 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | -57.5 | 162.9 | -175.3 | 30.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 48 | L | 52.2 | Low | 42.9 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | 166.3 | 128.7 | 110.6 | -83.9 | 169.5 | 0 | 0 | 0 | 114.2 | |||||
| 49 | W | 45.8 | Very low | 43.5 | Very low | 212 Ų | 212 | 145.9 Ų | 145.9 | 80% | 0.803 | 81% | 0.805 | S | S | * | * | trans | 64.2 | 103.2 | 154.1 | -58.5 | 106.9 | 0 | 0 | 0 | 122.2 | L51 | W49-L51 HydrophobicContact CE3-CD1 4.05Å; W49-L51 HydrophobicContact CZ3-CD1 4.4Å | ||
| 50 | M | 45 | Very low | 43.5 | Very low | 181 Ų | 181 | 152.4 Ų | 152.4 | 89% | 0.892 | 81% | 0.813 | S | S | * | * | trans | -87.6 | 120.8 | 151.3 | -87.7 | -84.9 | -135.8 | 0 | 0 | 109.8 | ||||
| 51 | L | 41.7 | Very low | 44 | Very low | 153 Ų | 153 | 158.5 Ų | 158.5 | 80% | 0.801 | 82% | 0.822 | S | S | * | * | trans | -135.1 | 111.4 | 154 | -110.1 | 100.4 | 0 | 0 | 0 | 109.3 | W49 | W49-L51 HydrophobicContact CE3-CD1 4.05Å; W49-L51 HydrophobicContact CZ3-CD1 4.4Å | ||
| 52 | K | 36.8 | Very low | 43.9 | Very low | 201 Ų | 201 | 156.4 Ų | 156.4 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -82.2 | 133.7 | 161.8 | -115 | -172.2 | 179.2 | -172.9 | 0 | 107.7 | ||||
| 53 | N | 39.7 | Very low | 43.7 | Very low | 157 Ų | 157 | 155 Ų | 155 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | trans | -144.8 | 134.2 | 148.7 | -150.7 | 15.8 | 0 | 0 | 0 | 111.5 | ||||
| 54 | N | 43.2 | Very low | 43.6 | Very low | 162 Ų | 162 | 157.9 Ų | 157.9 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | trans | -80.7 | 133.3 | 171.2 | -101.4 | 6.3 | 0 | 0 | 0 | 108.6 | ||||
| 55 | G | 36.3 | Very low | 43.8 | Very low | 78 Ų | 78 | 155.9 Ų | 155.9 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -165.9 | 115.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 56 | A | 39.2 | Very low | 43.9 | Very low | 98 Ų | 98 | 154 Ų | 154 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | -82 | 161.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 57 | S | 38.9 | Very low | 43.5 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | 95.7 | 145 | 156.3 | 83.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 58 | S | 37.4 | Very low | 43.3 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | 90.6 | 107.9 | 168.2 | -157.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 59 | G | 49.6 | Very low | 42.9 | Very low | 68 Ų | 68 | 149.3 Ų | 149.3 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -74.1 | 127.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 60 | Y | 36.5 | Very low | 43.1 | Very low | 225 Ų | 225 | 145.5 Ų | 145.5 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -158.8 | 115.2 | 149.9 | -110.4 | -86.9 | 0 | 0 | 0 | 105.4 | P62 | Y60-P62 WeakPolarHBondContact O-CD 3.27Š| ||
| 61 | R | 46.4 | Very low | 43.5 | Very low | 246 Ų | 246 | 143.2 Ų | 143.2 | 93% | 0.928 | 79% | 0.794 | S | S | * | * | trans | -87 | 108.8 | 171.6 | -77.8 | -168.8 | -179.6 | -162.6 | 1.7 | 108.3 | ||||
| 62 | P | 41.3 | Very low | 43.9 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | trans | -77.2 | 126.2 | 155.2 | 31 | -26.2 | 0 | 0 | 0 | 107.2 | Y60 L64 | Y60-P62 WeakPolarHBondContact O-CD 3.27Å; P62-L64 PolarHBondContact O-N 2.76Å | ||
| 63 | K | 47.1 | Very low | 44.7 | Very low | 204 Ų | 204 | 134.9 Ų | 134.9 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | trans | -54.9 | 102.3 | 168.5 | -74.3 | 176.2 | 176.6 | 174.8 | 0 | 107.8 | L65 | K63-L65 PolarHBondContact O-N 3.1Š| ||
| 64 | L | 45 | Very low | 45.5 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | trans | -66 | 122.2 | 167.9 | -85.2 | 164.4 | 0 | 0 | 0 | 107.5 | P62 S66 | P62-L64 PolarHBondContact O-N 2.76Å; L64-S66 PolarHBondContact O-N 2.95Å | ||
| 65 | L | 46.4 | Very low | 45.9 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | -48 | 109.7 | 175 | -67.1 | 159.3 | 0 | 0 | 0 | 108.8 | K63 S67 | K63-L65 PolarHBondContact O-N 3.1Å; L65-S67 PolarHBondContact O-N 2.82Å | ||
| 66 | S | 46.4 | Very low | 46.9 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | trans | -61.2 | 88.9 | 159.1 | 169.8 | 0 | 0 | 0 | 0 | 107 | L64 K68 | L64-S66 PolarHBondContact O-N 2.95Å; S66-K68 PolarHBondContact O-N 2.67Å | ||
| 67 | S | 47.3 | Very low | 48 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | trans | -70.3 | 81.2 | 162.5 | 59 | 0 | 0 | 0 | 0 | 107.2 | L65 V69 | L65-S67 PolarHBondContact O-N 2.82Å; S67-V69 PolarHBondContact O-N 3.16Å | ||
| 68 | K | 46.7 | Very low | 49.6 | Very low | 163 Ų | 163 | 123.2 Ų | 123.2 | 71% | 0.709 | 70% | 0.704 | S | S | * | * | trans | -58.2 | 86.8 | 153.8 | -80.2 | -179.9 | 177.6 | -179.3 | 0 | 106.3 | S66 L70 | S66-K68 PolarHBondContact O-N 2.67Å; K68-L70 HydrophobicContact CB-CD1 4.16Å; K68-L70 HydrophobicContact CB-CG 4.11Å; K68-L70 HydrophobicContact CD-CD1 4.19Å; K68-L70 PolarHBondContact O-N 2.69Å | ||
| 69 | V | 45 | Very low | 51.1 | Low | 117 Ų | 117 | 120.6 Ų | 120.6 | 71% | 0.709 | 70% | 0.695 | S | S | * | * | trans | -74.7 | 82.9 | 153.7 | -177.8 | 0 | 0 | 0 | 0 | 104.4 | S67 N71 | S67-V69 PolarHBondContact O-N 3.16Å; V69-N71 PolarHBondContact O-N 2.9Å; V69-N71 VanDerWaalsContact O-N 3.08Å | ||
| 70 | L | 48.5 | Very low | 52.4 | Low | 132 Ų | 132 | 119 Ų | 119 | 69% | 0.691 | 68% | 0.679 | S | S | * | * | trans | -72.6 | 83.2 | 165 | -78 | 156.6 | 0 | 0 | 0 | 106.5 | K68 | K68-L70 HydrophobicContact CB-CD1 4.16Å; K68-L70 HydrophobicContact CB-CG 4.11Å; K68-L70 HydrophobicContact CD-CD1 4.19Å; K68-L70 PolarHBondContact O-N 2.69Å | ||
| 71 | N | 53.5 | Low | 54.5 | Low | 132 Ų | 132 | 114.4 Ų | 114.4 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | trans | -88.5 | 114.7 | 142.9 | -79.4 | 2.2 | 0 | 0 | 0 | 104.6 | V69 S73 | V69-N71 PolarHBondContact O-N 2.9Å; V69-N71 VanDerWaalsContact O-N 3.08Å; N71-S73 PolarHBondContact O-N 3.3Å | ||
| 72 | P | 51.3 | Low | 56.2 | Low | 109 Ų | 109 | 104.8 Ų | 104.8 | 71% | 0.708 | 63% | 0.634 | S | S | * | * | trans | -69.8 | 87.6 | 164.8 | 30.5 | -26.7 | 0 | 0 | 0 | 105 | V74 | P72-V74 VanDerWaalsContact C-N 3.26Å; P72-V74 PolarHBondContact O-N 2.95Å | ||
| 73 | S | 53.7 | Low | 58.5 | Low | 70 Ų | 70 | 102.8 Ų | 102.8 | 49% | 0.49 | 62% | 0.62 | S | S | . | * | trans | -58.9 | 107.3 | 155.9 | 61.6 | 0 | 0 | 0 | 0 | 103.7 | N71 S75 | N71-S73 PolarHBondContact O-N 3.3Å; S73-S75 PolarHBondContact O-N 3.47Å | ||
| 74 | V | 55.3 | Low | 60.3 | Low | 108 Ų | 108 | 101.4 Ų | 101.4 | 66% | 0.655 | 62% | 0.617 | S | S | * | * | trans | -63 | 98.3 | 177.1 | -169 | 0 | 0 | 0 | 0 | 104.1 | P72 C76 | P72-V74 VanDerWaalsContact C-N 3.26Å; P72-V74 PolarHBondContact O-N 2.95Å; V74-C76 VanDerWaalsContact C-N 3.29Å; V74-C76 PolarHBondContact O-N 3.38Å | ||
| 75 | S | 51.8 | Low | 62.4 | Low | 93 Ų | 93 | 95.6 Ų | 95.6 | 65% | 0.65 | 60% | 0.598 | S | S | * | * | trans | -65.9 | 99.1 | 177.5 | 179.3 | 0 | 0 | 0 | 0 | 105.5 | S73 | S73-S75 PolarHBondContact O-N 3.47Š| ||
| 76 | C | 58.2 | Low | 64.5 | Low | 35 Ų | 35 | 89.9 Ų | 89.9 | 24% | 0.236 | 57% | 0.568 | C | S | . | * | trans | -60.4 | 154.2 | 163.1 | -173.4 | 0 | 0 | 0 | 0 | 108 | V74 C78 G79 H82 C288 | V74-C76 VanDerWaalsContact C-N 3.29Å; V74-C76 PolarHBondContact O-N 3.38Å; C76-C78 VanDerWaalsContact CB-SG 3.57Å; C76-C78 PolarHBondContact O-N 3.24Å; C76-G79 PolarHBondContact O-N 2.89Å; C76-H82 WeakPolarHBondContact CB-CD2 3.35Å; C76-H82 WeakPolarHBondContact CB-NE2 3.18Å; C76-C288 PolarHBondContact SG-O 2.88Å | ||
| 77 | G | 62.3 | Low | 66.4 | Low | 83 Ų | 83 | 91.8 Ų | 91.8 | 86% | 0.856 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -11.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 78 | C | 70.8 | Confident | 68.5 | Low | 50 Ų | 50 | 89.6 Ų | 89.6 | 34% | 0.338 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.1 | -10.1 | 176 | 67.5 | 0 | 0 | 0 | 0 | 114.9 | C76 G80 C288 | C76-C78 VanDerWaalsContact CB-SG 3.57Å; C76-C78 PolarHBondContact O-N 3.24Å; C78-G80 PolarHBondContact O-N 3.24Å; C78-G80 PolarHBondContact SG-N 3.14Å; C78-G80 VanDerWaalsContact SG-N 3.45Å; C78-C288 HydrophobicContact CB-CB 4.36Å; C78-C288 VanDerWaalsContact CB-SG 3.59Å; C78-C288 PolarHBondContact SG-O 3.01Å |
| 79 | G | 70.4 | Confident | 70.8 | Confident | 63 Ų | 63 | 85.8 Ų | 85.8 | 65% | 0.649 | 54% | 0.536 | S | S | * | . | trans | 72.5 | 9.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | C76 | C76-G79 PolarHBondContact O-N 2.89Š| ||
| 80 | G | 75.8 | Confident | 72.9 | Confident | 34 Ų | 34 | 80.3 Ų | 80.3 | 35% | 0.351 | 50% | 0.503 | S | S | . | . | trans | -83.7 | 162.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | C78 | C78-G80 PolarHBondContact O-N 3.24Å; C78-G80 PolarHBondContact SG-N 3.14Å; C78-G80 VanDerWaalsContact SG-N 3.45Å | ||
| 81 | L | 82 | Confident | 75 | Confident | 129 Ų | 129 | 79.1 Ų | 79.1 | 68% | 0.675 | 49% | 0.494 | S | S | * | . | trans | -77.5 | 125.2 | 171.2 | -178.4 | 71.4 | 0 | 0 | 0 | 109.1 | T83 | L81-T83 HydrophobicContact CD1-CG2 4.48Å; L81-T83 HydrophobicContact CD2-CG2 3.85Å; L81-T83 HydrophobicContact CG-CG2 3.92Å | ||
| 82 | H | 82 | Confident | 77 | Confident | 43 Ų | 43 | 78.3 Ų | 78.3 | 20% | 0.199 | 49% | 0.485 | C | S | . | . | trans | -118 | 114.2 | 167.5 | -75.2 | -81.6 | 0 | 0 | 0 | 110 | C76 V286 N287 | C76-H82 WeakPolarHBondContact CB-CD2 3.35Å; C76-H82 WeakPolarHBondContact CB-NE2 3.18Å; H82-V286 PolarHBondContact CE1-O 2.94Å; H82-V286 VanDerWaalsContact CE1-O 3.24Å; H82-N287 PolarHBondContact CE1-O 3.16Å | ||
| 83 | T | 88.1 | Confident | 79 | Confident | 66 Ų | 66 | 73.3 Ų | 73.3 | 41% | 0.405 | 45% | 0.452 | S | S | . | . | trans | -98.1 | 166.7 | 175 | 69.3 | 0 | 0 | 0 | 0 | 110.6 | L81 G85 D86 K87 | L81-T83 HydrophobicContact CD1-CG2 4.48Å; L81-T83 HydrophobicContact CD2-CG2 3.85Å; L81-T83 HydrophobicContact CG-CG2 3.92Å; T83-G85 PolarHBondContact O-N 3.1Å; T83-G85 PolarHBondContact OG1-N 3.14Å; T83-D86 WeakPolarHBondContact CA-OD2 3.44Å; T83-D86 WeakPolarHBondContact CB-OD2 3.18Å; T83-D86 PolarHBondContact N-OD2 2.92Å; T83-D86 PolarHBondContact O-N 3.02Å; T83-D86 VanDerWaalsContact O-N 3.16Å; T83-D86 PolarHBondContact OG1-N 3.05Å; T83-D86 PolarHBondContact OG1-OD2 3.45Å; T83-K87 PolarHBondContact O-N 3.24Å | ||
| 84 | E | 86.6 | Confident | 80.9 | Confident | 174 Ų | 174 | 71.6 Ų | 71.6 | 81% | 0.813 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.2 | -29.2 | 169.9 | -172.1 | 172.8 | -171.8 | 0 | 0 | 111.8 | K87 A88 | E84-K87 PolarHBondContact O-N 3.03Å; E84-A88 PolarHBondContact O-N 3.15Å |
| 85 | G | 89.3 | Confident | 82.7 | Confident | 45 Ų | 45 | 70.7 Ų | 70.7 | 46% | 0.464 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | T83 K87 A88 F89 | T83-G85 PolarHBondContact O-N 3.1Å; T83-G85 PolarHBondContact OG1-N 3.14Å; G85-K87 VanDerWaalsContact C-N 3.28Å; G85-K87 PolarHBondContact O-N 3.45Å; G85-A88 PolarHBondContact O-N 3.19Å; G85-F89 VanDerWaalsContact O-CB 3.22Å; G85-F89 WeakPolarHBondContact O-CB 3.29Å; G85-F89 PolarHBondContact O-N 3.08Å |
| 86 | D | 89.1 | Confident | 84.7 | Confident | 42 Ų | 42 | 69 Ų | 69 | 23% | 0.225 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.7 | -34.8 | 178.3 | -57.1 | -51.9 | 0 | 0 | 0 | 111.5 | T83 G90 V286 | T83-D86 WeakPolarHBondContact CA-OD2 3.44Å; T83-D86 WeakPolarHBondContact CB-OD2 3.18Å; T83-D86 PolarHBondContact N-OD2 2.92Å; T83-D86 PolarHBondContact O-N 3.02Å; T83-D86 VanDerWaalsContact O-N 3.16Å; T83-D86 PolarHBondContact OG1-N 3.05Å; T83-D86 PolarHBondContact OG1-OD2 3.45Å; D86-G90 PolarHBondContact O-N 2.99Å; D86-V286 HydrophobicContact CB-CG1 4.04Å; D86-V286 WeakPolarHBondContact O-CG1 3.38Å |
| 87 | K | 87.5 | Confident | 86.3 | Confident | 137 Ų | 137 | 67.9 Ų | 67.9 | 60% | 0.596 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66 | -51.1 | 174.3 | -173.5 | -172.1 | 172.8 | -158.9 | 0 | 111.4 | T83 E84 G85 F89 G90 E91 | T83-K87 PolarHBondContact O-N 3.24Å; E84-K87 PolarHBondContact O-N 3.03Å; G85-K87 VanDerWaalsContact C-N 3.28Å; G85-K87 PolarHBondContact O-N 3.45Å; K87-F89 VanDerWaalsContact C-N 3.25Å; K87-F89 PolarHBondContact O-N 3.33Å; K87-G90 PolarHBondContact O-N 3.46Å; K87-E91 WeakPolarHBondContact CE-OE1 3.47Å; K87-E91 IonicContact NZ-OE1 2.76Å; K87-E91 WeakPolarHBondContact O-CG 3.44Å; K87-E91 PolarHBondContact O-N 3Å |
| 88 | A | 91.8 | Very high | 87.8 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 47% | 0.471 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.9 | -38.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E84 G85 E91 F92 | E84-A88 PolarHBondContact O-N 3.15Å; G85-A88 PolarHBondContact O-N 3.19Å; A88-E91 PolarHBondContact O-N 3.48Å; A88-F92 WeakPolarHBondContact O-CB 3.44Å; A88-F92 PolarHBondContact O-N 3.32Å |
| 89 | F | 93 | Very high | 88.8 | Confident | 82 Ų | 82 | 71 Ų | 71 | 36% | 0.36 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 177.9 | -171.5 | -156.2 | 0 | 0 | 0 | 112.1 | G85 K87 E91 F92 L93 L282 V286 | G85-F89 VanDerWaalsContact O-CB 3.22Å; G85-F89 WeakPolarHBondContact O-CB 3.29Å; G85-F89 PolarHBondContact O-N 3.08Å; K87-F89 VanDerWaalsContact C-N 3.25Å; K87-F89 PolarHBondContact O-N 3.33Å; F89-E91 VanDerWaalsContact C-N 3.35Å; F89-E91 PolarHBondContact O-N 3.42Å; F89-F92 HydrophobicContact CD2-CD1 4.42Å; F89-F92 PolarHBondContact O-N 2.93Å; F89-L93 HydrophobicContact CD1-CD1 4.42Å; F89-L93 HydrophobicContact CD2-CD1 3.95Å; F89-L93 HydrophobicContact CD2-CD2 4.42Å; F89-L93 HydrophobicContact CD2-CG 3.85Å; F89-L93 HydrophobicContact CE1-CD1 4.25Å; F89-L93 HydrophobicContact CE2-CD1 3.76Å; F89-L93 HydrophobicContact CE2-CD2 3.78Å; F89-L93 HydrophobicContact CE2-CG 3.68Å; F89-L93 HydrophobicContact CG-CD1 4.28Å; F89-L93 HydrophobicContact CZ-CD1 3.93Å; F89-L93 HydrophobicContact CZ-CD2 4.32Å; F89-L93 HydrophobicContact CZ-CG 4.32Å; F89-L93 VanDerWaalsContact O-CG 3.3Å; F89-L93 WeakPolarHBondContact O-CG 3.45Å; F89-L93 PolarHBondContact O-N 3.38Å; F89-L282 HydrophobicContact CZ-CD2 3.9Å; F89-L282 HydrophobicContact CZ-CG 4.27Å; F89-V286 HydrophobicContact CB-CG1 4.4Å; F89-V286 HydrophobicContact CD1-CB 4.43Å; F89-V286 HydrophobicContact CD1-CG1 4.01Å; F89-V286 HydrophobicContact CD1-CG2 3.57Å; F89-V286 HydrophobicContact CE1-CG2 3.61Å; F89-V286 HydrophobicContact CG-CG1 4.5Å |
| 90 | G | 90.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D86 K87 S94 | D86-G90 PolarHBondContact O-N 2.99Å; K87-G90 PolarHBondContact O-N 3.46Å; G90-S94 WeakPolarHBondContact O-CB 3.39Å; G90-S94 PolarHBondContact O-N 2.61Å; G90-S94 VanDerWaalsContact O-N 3.08Å; G90-S94 PolarHBondContact O-OG 3.05Å |
| 91 | E | 91.5 | Very high | 90.3 | Very high | 107 Ų | 107 | 72.7 Ų | 72.7 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.6 | -48.2 | 173.3 | -74.1 | 174.8 | -177.8 | 0 | 0 | 110.8 | K87 A88 F89 S94 D95 | K87-E91 WeakPolarHBondContact CE-OE1 3.47Å; K87-E91 IonicContact NZ-OE1 2.76Å; K87-E91 WeakPolarHBondContact O-CG 3.44Å; K87-E91 PolarHBondContact O-N 3Å; A88-E91 PolarHBondContact O-N 3.48Å; F89-E91 VanDerWaalsContact C-N 3.35Å; F89-E91 PolarHBondContact O-N 3.42Å; E91-S94 VanDerWaalsContact O-CB 3.31Å; E91-S94 WeakPolarHBondContact O-CB 3.23Å; E91-S94 PolarHBondContact O-N 3.11Å; E91-S94 VanDerWaalsContact O-N 3.15Å; E91-D95 PolarHBondContact O-N 2.78Å |
| 92 | F | 95 | Very high | 90.6 | Very high | 115 Ų | 115 | 73.1 Ų | 73.1 | 50% | 0.504 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.6 | -52.3 | 175.3 | 174.3 | -97.9 | 0 | 0 | 0 | 112.3 | A88 F89 S94 D95 E96 | A88-F92 WeakPolarHBondContact O-CB 3.44Å; A88-F92 PolarHBondContact O-N 3.32Å; F89-F92 HydrophobicContact CD2-CD1 4.42Å; F89-F92 PolarHBondContact O-N 2.93Å; F92-S94 PolarHBondContact O-N 3.49Å; F92-D95 PolarHBondContact O-N 3.23Å; F92-E96 HydrophobicContact CE1-CB 4.46Å; F92-E96 HydrophobicContact CZ-CG 4.5Å; F92-E96 PolarHBondContact O-N 2.93Å |
| 93 | L | 94.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 73.6 Ų | 73.6 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.6 | -34.1 | 178.3 | -69.7 | 170.9 | 0 | 0 | 0 | 112 | F89 D95 I97 L279 L282 Q283 V286 | F89-L93 HydrophobicContact CD1-CD1 4.42Å; F89-L93 HydrophobicContact CD2-CD1 3.95Å; F89-L93 HydrophobicContact CD2-CD2 4.42Å; F89-L93 HydrophobicContact CD2-CG 3.85Å; F89-L93 HydrophobicContact CE1-CD1 4.25Å; F89-L93 HydrophobicContact CE2-CD1 3.76Å; F89-L93 HydrophobicContact CE2-CD2 3.78Å; F89-L93 HydrophobicContact CE2-CG 3.68Å; F89-L93 HydrophobicContact CG-CD1 4.28Å; F89-L93 HydrophobicContact CZ-CD1 3.93Å; F89-L93 HydrophobicContact CZ-CD2 4.32Å; F89-L93 HydrophobicContact CZ-CG 4.32Å; F89-L93 VanDerWaalsContact O-CG 3.3Å; F89-L93 WeakPolarHBondContact O-CG 3.45Å; F89-L93 PolarHBondContact O-N 3.38Å; L93-D95 VanDerWaalsContact C-N 3.3Å; L93-D95 PolarHBondContact O-N 2.92Å; L93-I97 WeakPolarHBondContact O-CB 3.49Å; L93-I97 VanDerWaalsContact O-CD1 3.22Å; L93-I97 WeakPolarHBondContact O-CD1 3.49Å; L93-I97 WeakPolarHBondContact O-CG1 3.31Å; L93-I97 PolarHBondContact O-N 2.71Å; L93-L279 HydrophobicContact CD2-CD2 3.97Å; L93-L282 HydrophobicContact CD1-CD2 4.34Å; L93-L282 HydrophobicContact CD1-CG 4Å; L93-L282 HydrophobicContact CD2-CD2 4.06Å; L93-Q283 HydrophobicContact CB-CB 4.16Å; L93-Q283 HydrophobicContact CB-CG 4.37Å; L93-Q283 HydrophobicContact CD1-CB 4.15Å; L93-V286 HydrophobicContact CD1-CG2 4.37Å |
| 94 | S | 92.8 | Very high | 90.3 | Very high | 35 Ų | 35 | 72.9 Ų | 72.9 | 25% | 0.245 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65 | -35.5 | 177.8 | -57.8 | 0 | 0 | 0 | 0 | 112.8 | G90 E91 F92 K98 Q283 | G90-S94 WeakPolarHBondContact O-CB 3.39Å; G90-S94 PolarHBondContact O-N 2.61Å; G90-S94 VanDerWaalsContact O-N 3.08Å; G90-S94 PolarHBondContact O-OG 3.05Å; E91-S94 VanDerWaalsContact O-CB 3.31Å; E91-S94 WeakPolarHBondContact O-CB 3.23Å; E91-S94 PolarHBondContact O-N 3.11Å; E91-S94 VanDerWaalsContact O-N 3.15Å; F92-S94 PolarHBondContact O-N 3.49Å; S94-K98 WeakPolarHBondContact O-CD 3.23Å; S94-K98 WeakPolarHBondContact O-CE 3.24Å; S94-K98 VanDerWaalsContact O-CG 3.23Å; S94-K98 WeakPolarHBondContact O-CG 3.11Å; S94-Q283 VanDerWaalsContact CA-NE2 3.35Å; S94-Q283 PolarHBondContact OG-NE2 2.87Å |
| 95 | D | 93.7 | Very high | 89.4 | Confident | 88 Ų | 88 | 72 Ų | 72 | 47% | 0.471 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -82.3 | -40.3 | 179.8 | -68 | -20.3 | 0 | 0 | 0 | 110.4 | E91 F92 L93 I97 K98 E99 | E91-D95 PolarHBondContact O-N 2.78Å; F92-D95 PolarHBondContact O-N 3.23Å; L93-D95 VanDerWaalsContact C-N 3.3Å; L93-D95 PolarHBondContact O-N 2.92Å; D95-I97 PolarHBondContact O-N 3.45Å; D95-K98 WeakPolarHBondContact O-CB 3.46Å; D95-K98 PolarHBondContact O-N 2.99Å; D95-K98 IonicContact OD1-NZ 2.76Å; D95-K98 PolarHBondContact OD1-NZ 3.31Å; D95-E99 PolarHBondContact O-N 2.88Å |
| 96 | E | 93.5 | Very high | 88.1 | Confident | 59 Ų | 59 | 74.3 Ų | 74.3 | 28% | 0.276 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.1 | -50.9 | 174.8 | -159.8 | 75.1 | 163.1 | 0 | 0 | 111.8 | F92 K98 E99 E100 L279 | F92-E96 HydrophobicContact CE1-CB 4.46Å; F92-E96 HydrophobicContact CZ-CG 4.5Å; F92-E96 PolarHBondContact O-N 2.93Å; E96-K98 PolarHBondContact O-N 2.9Å; E96-K98 VanDerWaalsContact O-N 3.14Å; E96-E99 PolarHBondContact O-N 3.39Å; E96-E99 VanDerWaalsContact O-N 3.1Å; E96-E100 HydrophobicContact CG-CG 4.45Å; E96-E100 WeakPolarHBondContact O-CB 3.4Å; E96-E100 WeakPolarHBondContact O-CG 3.37Å; E96-E100 PolarHBondContact O-N 2.83Å; E96-L279 HydrophobicContact CG-CD1 4.05Å |
| 97 | I | 92.9 | Very high | 87.3 | Confident | 11 Ų | 11 | 82.1 Ų | 82.1 | 6% | 0.056 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.3 | -33.2 | 177.8 | -67.7 | 162.3 | 0 | 0 | 0 | 111.6 | L93 D95 K101 L279 E280 Q283 | L93-I97 WeakPolarHBondContact O-CB 3.49Å; L93-I97 VanDerWaalsContact O-CD1 3.22Å; L93-I97 WeakPolarHBondContact O-CD1 3.49Å; L93-I97 WeakPolarHBondContact O-CG1 3.31Å; L93-I97 PolarHBondContact O-N 2.71Å; D95-I97 PolarHBondContact O-N 3.45Å; I97-K101 HydrophobicContact CG2-CD 3.92Å; I97-K101 HydrophobicContact CG2-CG 4.48Å; I97-K101 VanDerWaalsContact O-CB 3.29Å; I97-K101 WeakPolarHBondContact O-CB 3.44Å; I97-K101 WeakPolarHBondContact O-CD 3.48Å; I97-K101 WeakPolarHBondContact O-CG 3.42Å; I97-K101 PolarHBondContact O-N 3.34Å; I97-K101 VanDerWaalsContact O-N 3.14Å; I97-L279 HydrophobicContact CD1-CB 4.02Å; I97-L279 HydrophobicContact CG1-CB 3.55Å; I97-L279 HydrophobicContact CG1-CD1 4.22Å; I97-E280 HydrophobicContact CD1-CG 4.18Å; I97-E280 HydrophobicContact CG2-CG 4.2Å; I97-Q283 HydrophobicContact CD1-CB 4.04Å |
| 98 | K | 92.8 | Very high | 87 | Confident | 109 Ų | 109 | 79.9 Ų | 79.9 | 47% | 0.474 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72.8 | -42 | 178.6 | -71.6 | 168.2 | -155.3 | 150.8 | 0 | 111.3 | S94 D95 E96 K102 | S94-K98 WeakPolarHBondContact O-CD 3.23Å; S94-K98 WeakPolarHBondContact O-CE 3.24Å; S94-K98 VanDerWaalsContact O-CG 3.23Å; S94-K98 WeakPolarHBondContact O-CG 3.11Å; D95-K98 WeakPolarHBondContact O-CB 3.46Å; D95-K98 PolarHBondContact O-N 2.99Å; D95-K98 IonicContact OD1-NZ 2.76Å; D95-K98 PolarHBondContact OD1-NZ 3.31Å; E96-K98 PolarHBondContact O-N 2.9Å; E96-K98 VanDerWaalsContact O-N 3.14Å; K98-K102 VanDerWaalsContact O-CG 3.27Å; K98-K102 WeakPolarHBondContact O-CG 3.36Å; K98-K102 PolarHBondContact O-N 3.37Å |
| 99 | E | 91.6 | Very high | 86.7 | Confident | 88 Ų | 88 | 79.2 Ų | 79.2 | 41% | 0.411 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.8 | -47.3 | 177.4 | -62.5 | -48.3 | 141 | 0 | 0 | 110.3 | D95 E96 K101 K102 I103 | D95-E99 PolarHBondContact O-N 2.88Å; E96-E99 PolarHBondContact O-N 3.39Å; E96-E99 VanDerWaalsContact O-N 3.1Å; E99-K101 VanDerWaalsContact C-N 3.29Å; E99-K101 PolarHBondContact O-N 3.4Å; E99-K102 WeakPolarHBondContact O-CA 3.22Å; E99-K102 WeakPolarHBondContact O-CB 3.1Å; E99-K102 PolarHBondContact O-N 3.16Å; E99-K102 IonicContact OE1-NZ 2.64Å; E99-K102 PolarHBondContact OE1-NZ 3.3Å; E99-K102 WeakPolarHBondContact OE2-CD 3.29Å; E99-K102 IonicContact OE2-NZ 2.87Å; E99-K102 PolarHBondContact OE2-NZ 2.71Å; E99-I103 HydrophobicContact CB-CD1 4.41Å; E99-I103 WeakPolarHBondContact O-CD1 3.34Å; E99-I103 WeakPolarHBondContact O-CG1 3.38Å; E99-I103 PolarHBondContact O-N 3.03Å |
| 100 | E | 90.6 | Very high | 86.4 | Confident | 36 Ų | 36 | 76.8 Ų | 76.8 | 17% | 0.168 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.6 | -41.3 | 178.5 | -70.6 | -62.6 | 167 | 0 | 0 | 112.7 | E96 K102 I103 Q104 H272 Y275 I276 L279 | E96-E100 HydrophobicContact CG-CG 4.45Å; E96-E100 WeakPolarHBondContact O-CB 3.4Å; E96-E100 WeakPolarHBondContact O-CG 3.37Å; E96-E100 PolarHBondContact O-N 2.83Å; E100-K102 VanDerWaalsContact C-N 3.29Å; E100-K102 PolarHBondContact O-N 3.33Å; E100-I103 PolarHBondContact O-N 2.9Å; E100-Q104 WeakPolarHBondContact O-CB 3.25Å; E100-Q104 PolarHBondContact O-N 2.89Å; E100-H272 PolarHBondContact O-CE1 3.06Å; E100-H272 IonicContact OE2-CD2 2.71Å; E100-H272 IonicContact OE2-CE1 2.61Å; E100-H272 IonicContact OE2-NE2 3.78Å; E100-H272 PolarHBondContact OE2-NE2 2.65Å; E100-Y275 HydrophobicContact CG-CE1 4.13Å; E100-I276 HydrophobicContact CB-CD1 4.21Å; E100-I276 HydrophobicContact CB-CG1 3.83Å; E100-L279 HydrophobicContact CG-CD1 4.27Å |
| 101 | K | 88.4 | Confident | 86.3 | Confident | 97 Ų | 97 | 86 Ų | 86 | 42% | 0.422 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69 | -22.9 | 175.2 | -76.7 | 176.1 | 178.4 | 175.9 | 0 | 114.3 | I97 E99 I276 E280 | I97-K101 HydrophobicContact CG2-CD 3.92Å; I97-K101 HydrophobicContact CG2-CG 4.48Å; I97-K101 VanDerWaalsContact O-CB 3.29Å; I97-K101 WeakPolarHBondContact O-CB 3.44Å; I97-K101 WeakPolarHBondContact O-CD 3.48Å; I97-K101 WeakPolarHBondContact O-CG 3.42Å; I97-K101 PolarHBondContact O-N 3.34Å; I97-K101 VanDerWaalsContact O-N 3.14Å; E99-K101 VanDerWaalsContact C-N 3.29Å; E99-K101 PolarHBondContact O-N 3.4Å; K101-I276 HydrophobicContact CD-CG2 4.48Å; K101-I276 HydrophobicContact CG-CD1 4.29Å; K101-I276 HydrophobicContact CG-CG2 3.97Å; K101-E280 VanDerWaalsContact CE-OE1 3.24Å; K101-E280 WeakPolarHBondContact CE-OE1 3.46Å; K101-E280 IonicContact NZ-OE1 3.81Å; K101-E280 PolarHBondContact NZ-OE1 3.06Å |
| 102 | K | 87.6 | Confident | 86.3 | Confident | 139 Ų | 139 | 82 Ų | 82 | 60% | 0.604 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -79.1 | -39.4 | 172.8 | -70.1 | 169.2 | -161.2 | 167.5 | 0 | 110.6 | K98 E99 E100 Q104 | K98-K102 VanDerWaalsContact O-CG 3.27Å; K98-K102 WeakPolarHBondContact O-CG 3.36Å; K98-K102 PolarHBondContact O-N 3.37Å; E99-K102 WeakPolarHBondContact O-CA 3.22Å; E99-K102 WeakPolarHBondContact O-CB 3.1Å; E99-K102 PolarHBondContact O-N 3.16Å; E99-K102 IonicContact OE1-NZ 2.64Å; E99-K102 PolarHBondContact OE1-NZ 3.3Å; E99-K102 WeakPolarHBondContact OE2-CD 3.29Å; E99-K102 IonicContact OE2-NZ 2.87Å; E99-K102 PolarHBondContact OE2-NZ 2.71Å; E100-K102 VanDerWaalsContact C-N 3.29Å; E100-K102 PolarHBondContact O-N 3.33Å; K102-Q104 VanDerWaalsContact C-N 3.31Å |
| 103 | I | 83.3 | Confident | 86.1 | Confident | 53 Ų | 53 | 79.4 Ų | 79.4 | 27% | 0.272 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -73.5 | -26.8 | -178.7 | -63.2 | 154.8 | 0 | 0 | 0 | 111.1 | E99 E100 K105 E166 | E99-I103 HydrophobicContact CB-CD1 4.41Å; E99-I103 WeakPolarHBondContact O-CD1 3.34Å; E99-I103 WeakPolarHBondContact O-CG1 3.38Å; E99-I103 PolarHBondContact O-N 3.03Å; E100-I103 PolarHBondContact O-N 2.9Å; I103-K105 VanDerWaalsContact C-N 3.33Å; I103-K105 WeakPolarHBondContact O-CG 3.24Å; I103-K105 PolarHBondContact O-N 2.94Å; I103-E166 VanDerWaalsContact CD1-OE2 3.23Å; I103-E166 WeakPolarHBondContact CD1-OE2 3.49Å |
| 104 | Q | 79.8 | Confident | 85.7 | Confident | 50 Ų | 50 | 81.8 Ų | 81.8 | 23% | 0.234 | 41% | 0.414 | C | S | . | . | trans | -51.1 | 93.2 | 177 | -171.1 | 171.4 | 44.5 | 0 | 0 | 111.5 | E100 K102 N106 I276 | E100-Q104 WeakPolarHBondContact O-CB 3.25Å; E100-Q104 PolarHBondContact O-N 2.89Å; K102-Q104 VanDerWaalsContact C-N 3.31Å; Q104-N106 PolarHBondContact O-N 3.27Å; Q104-N106 VanDerWaalsContact O-N 3.16Å; Q104-I276 HydrophobicContact CB-CD1 4.26Å; Q104-I276 HydrophobicContact CG-CD1 4.42Å | ||
| 105 | K | 67.4 | Low | 85.6 | Confident | 156 Ų | 156 | 83 Ų | 83 | 68% | 0.678 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -58.4 | -35.4 | -171 | -63.7 | -178.8 | -175.6 | 176 | 0 | 110.9 | I103 E168 | I103-K105 VanDerWaalsContact C-N 3.33Å; I103-K105 WeakPolarHBondContact O-CG 3.24Å; I103-K105 PolarHBondContact O-N 2.94Å; K105-E168 IonicContact NZ-OE1 3.12Å; K105-E168 PolarHBondContact NZ-OE1 3.46Å |
| 106 | N | 63.7 | Low | 85.7 | Confident | 93 Ų | 93 | 80.1 Ų | 80.1 | 50% | 0.497 | 42% | 0.415 | S | S | . | . | trans | -123.7 | 111.4 | -173.5 | -69.9 | -37.5 | 0 | 0 | 0 | 111.5 | Q104 S108 | Q104-N106 PolarHBondContact O-N 3.27Å; Q104-N106 VanDerWaalsContact O-N 3.16Å; N106-S108 WeakPolarHBondContact CB-O 3.38Å; N106-S108 PolarHBondContact O-N 2.88Å | ||
| 107 | K | 70.7 | Confident | 85.8 | Confident | 207 Ų | 207 | 83.8 Ų | 83.8 | 90% | 0.9 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -68.7 | -21.9 | 171.7 | -68.8 | -177.3 | -178.8 | 176.1 | 0 | 113 | ||
| 108 | S | 80.8 | Confident | 85.9 | Confident | 90 Ų | 90 | 86.3 Ų | 86.3 | 63% | 0.629 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -119 | 139.8 | 176.7 | 55.4 | 0 | 0 | 0 | 0 | 109.1 | N106 | N106-S108 WeakPolarHBondContact CB-O 3.38Å; N106-S108 PolarHBondContact O-N 2.88Å |
| 109 | L | 86.1 | Confident | 86 | Confident | 43 Ų | 43 | 86.4 Ų | 86.4 | 23% | 0.225 | 45% | 0.447 | C | S | . | . | trans | -57.7 | 141.6 | 176.1 | -62.8 | 174.7 | 0 | 0 | 0 | 110.8 | L118 M120 L266 A269 I270 K273 | L109-L118 HydrophobicContact CD1-CD2 4.01Å; L109-M120 HydrophobicContact CD1-CE 4.43Å; L109-M120 HydrophobicContact CD1-SD 3.52Å; L109-M120 VanDerWaalsContact CD1-SD 3.52Å; L109-L266 HydrophobicContact CB-CD1 4.16Å; L109-A269 HydrophobicContact CD2-CB 4.05Å; L109-I270 HydrophobicContact CD1-CG1 4.15Å; L109-I270 HydrophobicContact CD2-CG1 3.78Å; L109-K273 HydrophobicContact CD2-CD 4.42Å | ||
| 110 | P | 88.1 | Confident | 86.1 | Confident | 31 Ų | 31 | 85.4 Ų | 85.4 | 20% | 0.201 | 44% | 0.444 | C | S | . | . | trans | -60.1 | 152.5 | 173 | 29.3 | -35.2 | 0 | 0 | 0 | 109.4 | L266 A269 | P110-L266 HydrophobicContact CG-CB 4.08Å; P110-L266 HydrophobicContact CG-CD1 4.01Å; P110-A269 VanDerWaalsContact CD-CB 3.49Å; P110-A269 HydrophobicContact CG-CB 4.12Å | ||
| 111 | K | 88.1 | Confident | 86.2 | Confident | 196 Ų | 196 | 89.8 Ų | 89.8 | 85% | 0.852 | 47% | 0.468 | S | S | * | . | trans | -104.2 | 128.7 | -177.3 | -67.8 | -176.2 | 179.6 | -179.1 | 0 | 109.1 | ||||
| 112 | M | 91.3 | Very high | 86.3 | Confident | 23 Ų | 23 | 87.1 Ų | 87.1 | 11% | 0.113 | 47% | 0.468 | C | S | . | . | trans | -65.8 | 135.4 | 170 | -54.7 | -60.4 | -67.3 | 0 | 0 | 110.2 | W116 L127 F259 E262 L263 L266 | M112-W116 HydrophobicContact CB-CB 4.03Å; M112-W116 HydrophobicContact CB-CG 4.21Å; M112-L127 HydrophobicContact CE-CD1 4.11Å; M112-L127 HydrophobicContact CG-CD1 4.02Å; M112-L127 HydrophobicContact CG-CD2 3.82Å; M112-L127 HydrophobicContact SD-CD1 4.34Å; M112-F259 HydrophobicContact CE-CD2 3.52Å; M112-F259 HydrophobicContact CE-CE2 3.51Å; M112-F259 HydrophobicContact CE-CG 4.25Å; M112-F259 HydrophobicContact CE-CZ 4.21Å; M112-E262 WeakPolarHBondContact CA-OE2 3.2Å; M112-E262 HydrophobicContact CE-CB 3.58Å; M112-E262 HydrophobicContact SD-CB 3.76Å; M112-L263 HydrophobicContact CE-CB 4.27Å; M112-L266 HydrophobicContact CG-CD2 3.95Å; M112-L266 HydrophobicContact SD-CB 4.06Å; M112-L266 HydrophobicContact SD-CD2 3.71Å; M112-L266 HydrophobicContact SD-CG 4.5Å | ||
| 113 | S | 89.6 | Confident | 86.6 | Confident | 61 Ų | 61 | 82.2 Ų | 82.2 | 43% | 0.427 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 162.8 | 170.9 | 71 | 0 | 0 | 0 | 0 | 110.8 | G115 W116 E262 | S113-G115 PolarHBondContact O-N 3Å; S113-W116 PolarHBondContact O-NE1 3.5Å; S113-E262 WeakPolarHBondContact CB-OE1 3.03Å; S113-E262 PolarHBondContact N-OE1 3.4Å; S113-E262 PolarHBondContact N-OE2 3.15Å; S113-E262 VanDerWaalsContact OG-CD 3.26Å; S113-E262 PolarHBondContact OG-OE1 3.05Å; S113-E262 PolarHBondContact OG-OE2 3.26Å; S113-E262 VanDerWaalsContact OG-OE2 3.12Å |
| 114 | G | 87.3 | Confident | 87.2 | Confident | 52 Ų | 52 | 84 Ų | 84 | 54% | 0.536 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 10.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116 | K129 | G114-K129 WeakPolarHBondContact O-CE 3.3Š|
| 115 | G | 90.4 | Very high | 87.9 | Confident | 62 Ų | 62 | 81.6 Ų | 81.6 | 64% | 0.639 | 45% | 0.446 | S | S | * | . | S | Bend | trans | 79.9 | 33.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115 | S113 | S113-G115 PolarHBondContact O-N 3Š|
| 116 | W | 95.4 | Very high | 89.3 | Confident | 27 Ų | 27 | 77.2 Ų | 77.2 | 10% | 0.102 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 139 | 173.2 | -61.1 | 96.4 | 0 | 0 | 0 | 111.9 | M112 S113 L127 K129 I136 V138 V255 F259 | M112-W116 HydrophobicContact CB-CB 4.03Å; M112-W116 HydrophobicContact CB-CG 4.21Å; S113-W116 PolarHBondContact O-NE1 3.5Å; W116-L127 HydrophobicContact CB-CB 4.43Å; W116-L127 HydrophobicContact CB-CD2 4.19Å; W116-L127 HydrophobicContact CD2-CB 4.36Å; W116-L127 HydrophobicContact CE3-CB 3.81Å; W116-L127 HydrophobicContact CZ3-CB 4.44Å; W116-K129 HydrophobicContact CD2-CB 3.77Å; W116-K129 HydrophobicContact CD2-CD 3.98Å; W116-K129 HydrophobicContact CD2-CG 4.5Å; W116-K129 HydrophobicContact CE3-CB 3.37Å; W116-K129 HydrophobicContact CE3-CD 4.34Å; W116-K129 HydrophobicContact CH2-CB 4.03Å; W116-K129 HydrophobicContact CH2-CD 4.18Å; W116-K129 HydrophobicContact CZ2-CB 4.37Å; W116-K129 HydrophobicContact CZ2-CD 3.8Å; W116-K129 HydrophobicContact CZ3-CB 3.52Å; W116-K129 HydrophobicContact CZ3-CD 4.43Å; W116-I136 HydrophobicContact CH2-CB 4.11Å; W116-I136 HydrophobicContact CH2-CG2 3.59Å; W116-I136 HydrophobicContact CZ3-CB 4.24Å; W116-I136 HydrophobicContact CZ3-CG2 3.98Å; W116-V138 HydrophobicContact CH2-CG2 3.89Å; W116-V138 HydrophobicContact CZ3-CG2 3.96Å; W116-V255 HydrophobicContact CH2-CG2 3.9Å; W116-V255 HydrophobicContact CZ2-CG2 3.92Å; W116-F259 HydrophobicContact CD2-CE2 4.25Å; W116-F259 AromaticContact CE2-CD2 3.93Å; W116-F259 AromaticContact CE2-CE2 3.71Å; W116-F259 HydrophobicContact CH2-CE2 4.41Å; W116-F259 HydrophobicContact CZ2-CD2 4.04Å; W116-F259 AromaticContact CZ2-CE2 3.82Å; W116-F259 HydrophobicContact CZ2-CE2 3.82Å; W116-F259 AromaticContact NE1-CD2 3.67Å; W116-F259 AromaticContact NE1-CE2 3.82Å |
| 117 | E | 95.7 | Very high | 90.9 | Very high | 136 Ų | 136 | 72.8 Ų | 72.8 | 64% | 0.636 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 122.4 | 169.4 | -64.9 | -178.1 | 172.6 | 0 | 0 | 109.1 | L127 T128 | E117-L127 CarbonylContact O-C 3.55Å; E117-L127 WeakPolarHBondContact O-CA 3.36Å; E117-T128 PolarHBondContact N-O 3.5Å; E117-T128 PolarHBondContact O-N 3.18Å |
| 118 | L | 95.4 | Very high | 92.1 | Very high | 63 Ų | 63 | 63.7 Ų | 63.7 | 33% | 0.33 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 120 | 178.4 | 175.4 | 63.8 | 0 | 0 | 0 | 110.7 | L109 M120 A125 L127 L266 | L109-L118 HydrophobicContact CD1-CD2 4.01Å; L118-M120 HydrophobicContact CD1-CG 4.11Å; L118-M120 HydrophobicContact CD2-CG 4.32Å; L118-M120 HydrophobicContact CD2-SD 4.28Å; L118-M120 HydrophobicContact CG-CG 4.07Å; L118-A125 HydrophobicContact CD1-CB 4.11Å; L118-L127 HydrophobicContact CB-CD2 3.89Å; L118-L127 HydrophobicContact CD1-CD2 3.74Å; L118-L127 HydrophobicContact CD1-CG 4.37Å; L118-L127 HydrophobicContact CG-CD2 4.37Å; L118-L266 HydrophobicContact CD1-CD2 4.35Å; L118-L266 HydrophobicContact CD2-CD1 4.04Å; L118-L266 HydrophobicContact CD2-CD2 4.37Å |
| 119 | E | 95.1 | Very high | 92.8 | Very high | 111 Ų | 111 | 60.8 Ų | 60.8 | 52% | 0.519 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 137.2 | 167.2 | -63.2 | -178.6 | 167.2 | 0 | 0 | 109 | K126 | E119-K126 HydrophobicContact CB-CB 4.35Å; E119-K126 PolarHBondContact N-O 3.45Å; E119-K126 PolarHBondContact O-N 3.16Å |
| 120 | M | 93.6 | Very high | 93.2 | Very high | 67 Ų | 67 | 65.2 Ų | 65.2 | 33% | 0.33 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 134.6 | 179.7 | -64.1 | -179.9 | 70.2 | 0 | 0 | 110.6 | L109 L118 I270 | L109-M120 HydrophobicContact CD1-CE 4.43Å; L109-M120 HydrophobicContact CD1-SD 3.52Å; L109-M120 VanDerWaalsContact CD1-SD 3.52Å; L118-M120 HydrophobicContact CD1-CG 4.11Å; L118-M120 HydrophobicContact CD2-CG 4.32Å; L118-M120 HydrophobicContact CD2-SD 4.28Å; L118-M120 HydrophobicContact CG-CG 4.07Å; M120-I270 HydrophobicContact CE-CB 4.25Å; M120-I270 HydrophobicContact CE-CD1 3.94Å; M120-I270 HydrophobicContact CE-CG1 3.79Å; M120-I270 HydrophobicContact CE-CG2 3.5Å; M120-I270 VanDerWaalsContact CE-CG2 3.5Å; M120-I270 HydrophobicContact SD-CD1 4.32Å; M120-I270 HydrophobicContact SD-CG1 4.4Å |
| 121 | N | 92.3 | Very high | 93.3 | Very high | 129 Ų | 129 | 66.3 Ų | 66.3 | 69% | 0.69 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 90.1 | 173.5 | -173.4 | 7.4 | 0 | 0 | 0 | 109.9 | T123 E124 | N121-T123 PolarHBondContact O-N 3.04Å; N121-E124 PolarHBondContact N-O 2.64Å; N121-E124 PolarHBondContact O-N 2.76Å; N121-E124 VanDerWaalsContact O-N 3.17Å |
| 122 | G | 91.1 | Very high | 93.3 | Very high | 40 Ų | 40 | 62.8 Ų | 62.8 | 41% | 0.412 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -118.5 | -172 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 123 | T | 93.4 | Very high | 93.1 | Very high | 36 Ų | 36 | 63.5 Ų | 63.5 | 22% | 0.221 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -7.1 | 179.8 | 67.6 | 0 | 0 | 0 | 0 | 113.5 | N121 N141 V142 N143 | N121-T123 PolarHBondContact O-N 3.04Å; T123-N141 WeakPolarHBondContact CB-OD1 3.5Å; T123-N141 WeakPolarHBondContact O-CA 3.37Å; T123-N141 PolarHBondContact O-OD1 3.33Å; T123-N141 PolarHBondContact OG1-ND2 3.12Å; T123-N141 PolarHBondContact OG1-OD1 2.99Å; T123-V142 HydrophobicContact CG2-CG2 4.19Å; T123-V142 PolarHBondContact O-N 3.05Å; T123-N143 WeakPolarHBondContact CG2-OD1 3.45Å; T123-N143 PolarHBondContact OG1-ND2 2.82Å |
| 124 | E | 95.3 | Very high | 93.3 | Very high | 90 Ų | 90 | 62 Ų | 62 | 42% | 0.421 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 128.1 | 175.1 | -173.4 | 177 | 90.2 | 0 | 0 | 109.7 | N121 T139 | N121-E124 PolarHBondContact N-O 2.64Å; N121-E124 PolarHBondContact O-N 2.76Å; N121-E124 VanDerWaalsContact O-N 3.17Å; E124-T139 HydrophobicContact CG-CG2 3.83Å |
| 125 | A | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | L118 T139 F140 I270 | L118-A125 HydrophobicContact CD1-CB 4.11Å; A125-T139 WeakPolarHBondContact O-CA 3.46Å; A125-F140 HydrophobicContact CB-CD1 4.02Å; A125-F140 HydrophobicContact CB-CD2 4.25Å; A125-F140 HydrophobicContact CB-CE1 3.48Å; A125-F140 VanDerWaalsContact CB-CE1 3.48Å; A125-F140 HydrophobicContact CB-CE2 3.75Å; A125-F140 HydrophobicContact CB-CG 4.39Å; A125-F140 HydrophobicContact CB-CZ 3.35Å; A125-F140 PolarHBondContact N-O 3.49Å; A125-F140 PolarHBondContact O-N 2.94Å; A125-I270 HydrophobicContact CB-CD1 4.06Å |
| 126 | K | 96.7 | Very high | 94 | Very high | 65 Ų | 65 | 60.5 Ų | 60.5 | 28% | 0.283 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 117 | -176 | -174.3 | -177.2 | -170.9 | 174.3 | 0 | 109.8 | E119 T137 V138 | E119-K126 HydrophobicContact CB-CB 4.35Å; E119-K126 PolarHBondContact N-O 3.45Å; E119-K126 PolarHBondContact O-N 3.16Å; K126-T137 HydrophobicContact CD-CG2 4.07Å; K126-T137 HydrophobicContact CG-CG2 3.7Å; K126-V138 CarbonylContact C-O 3.55Å; K126-V138 WeakPolarHBondContact CA-O 3.28Å |
| 127 | L | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 123.5 | 174.2 | -64.5 | 169.3 | 0 | 0 | 0 | 108.7 | M112 W116 E117 L118 T137 V138 F140 F259 L263 L266 | M112-L127 HydrophobicContact CE-CD1 4.11Å; M112-L127 HydrophobicContact CG-CD1 4.02Å; M112-L127 HydrophobicContact CG-CD2 3.82Å; M112-L127 HydrophobicContact SD-CD1 4.34Å; W116-L127 HydrophobicContact CB-CB 4.43Å; W116-L127 HydrophobicContact CB-CD2 4.19Å; W116-L127 HydrophobicContact CD2-CB 4.36Å; W116-L127 HydrophobicContact CE3-CB 3.81Å; W116-L127 HydrophobicContact CZ3-CB 4.44Å; E117-L127 CarbonylContact O-C 3.55Å; E117-L127 WeakPolarHBondContact O-CA 3.36Å; L118-L127 HydrophobicContact CB-CD2 3.89Å; L118-L127 HydrophobicContact CD1-CD2 3.74Å; L118-L127 HydrophobicContact CD1-CG 4.37Å; L118-L127 HydrophobicContact CG-CD2 4.37Å; L127-T137 CarbonylContact O-C 3.51Å; L127-T137 WeakPolarHBondContact O-CA 3.43Å; L127-V138 HydrophobicContact CB-CB 4.25Å; L127-V138 PolarHBondContact N-O 3.13Å; L127-V138 PolarHBondContact O-N 3.47Å; L127-F140 HydrophobicContact CD1-CE1 4.23Å; L127-F140 HydrophobicContact CG-CE1 4.43Å; L127-F259 HydrophobicContact CD1-CE2 3.96Å; L127-F259 HydrophobicContact CD1-CZ 3.96Å; L127-L263 HydrophobicContact CD1-CD1 4.06Å; L127-L266 HydrophobicContact CD1-CD2 4.3Å; L127-L266 HydrophobicContact CD2-CD2 4.12Å |
| 128 | T | 96.3 | Very high | 94.1 | Very high | 15 Ų | 15 | 52.8 Ų | 52.8 | 9% | 0.092 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 137.6 | 178.7 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | E117 K135 I136 | E117-T128 PolarHBondContact N-O 3.5Å; E117-T128 PolarHBondContact O-N 3.18Å; T128-K135 HydrophobicContact CG2-CG 4.33Å; T128-I136 WeakPolarHBondContact CA-O 3.4Å |
| 129 | K | 95.1 | Very high | 94.1 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 13% | 0.126 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 134.9 | 175.7 | 179.8 | 178.3 | 175.6 | -171 | 0 | 110.3 | G114 W116 I136 R253 | G114-K129 WeakPolarHBondContact O-CE 3.3Å; W116-K129 HydrophobicContact CD2-CB 3.77Å; W116-K129 HydrophobicContact CD2-CD 3.98Å; W116-K129 HydrophobicContact CD2-CG 4.5Å; W116-K129 HydrophobicContact CE3-CB 3.37Å; W116-K129 HydrophobicContact CE3-CD 4.34Å; W116-K129 HydrophobicContact CH2-CB 4.03Å; W116-K129 HydrophobicContact CH2-CD 4.18Å; W116-K129 HydrophobicContact CZ2-CB 4.37Å; W116-K129 HydrophobicContact CZ2-CD 3.8Å; W116-K129 HydrophobicContact CZ3-CB 3.52Å; W116-K129 HydrophobicContact CZ3-CD 4.43Å; K129-I136 PolarHBondContact N-O 3.28Å; K129-I136 PolarHBondContact O-N 3.46Å; K129-R253 PolarHBondContact NZ-O 3.27Å |
| 130 | Q | 93.6 | Very high | 94.2 | Very high | 136 Ų | 136 | 46.5 Ų | 46.5 | 64% | 0.636 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122.5 | 175.1 | -62.6 | -68.7 | 83.7 | 0 | 0 | 109.2 | E134 | Q130-E134 WeakPolarHBondContact CA-O 3.08Å |
| 131 | L | 91.1 | Very high | 94.3 | Very high | 54 Ų | 54 | 46.1 Ų | 46.1 | 28% | 0.283 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 118.3 | -178.9 | -168.2 | 146.1 | 0 | 0 | 0 | 110.5 | G133 E134 I136 | L131-G133 PolarHBondContact O-N 3.08Å; L131-E134 PolarHBondContact N-O 2.95Å; L131-E134 WeakPolarHBondContact O-CA 3.34Å; L131-E134 WeakPolarHBondContact O-CB 3.3Å; L131-E134 PolarHBondContact O-N 3.2Å; L131-I136 HydrophobicContact CB-CD1 3.82Å |
| 132 | S | 87 | Confident | 94.5 | Very high | 122 Ų | 122 | 40.4 Ų | 40.4 | 85% | 0.853 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 35.8 | 172 | -56.9 | 0 | 0 | 0 | 0 | 116.2 | ||
| 133 | G | 88.6 | Confident | 94.6 | Very high | 38 Ų | 38 | 42.7 Ų | 42.7 | 39% | 0.392 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 12.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L131 Q182 | L131-G133 PolarHBondContact O-N 3.08Å; G133-Q182 WeakPolarHBondContact O-CB 3.42Å; G133-Q182 PolarHBondContact O-N 3.22Å |
| 134 | E | 93.7 | Very high | 94.5 | Very high | 30 Ų | 30 | 49.1 Ų | 49.1 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 146.6 | 168.3 | -55.5 | -171.8 | 162.6 | 0 | 0 | 109.7 | Q130 L131 I136 T180 K181 R253 | Q130-E134 WeakPolarHBondContact CA-O 3.08Å; L131-E134 PolarHBondContact N-O 2.95Å; L131-E134 WeakPolarHBondContact O-CA 3.34Å; L131-E134 WeakPolarHBondContact O-CB 3.3Å; L131-E134 PolarHBondContact O-N 3.2Å; E134-I136 HydrophobicContact CB-CD1 4.43Å; E134-T180 CarbonylContact C-O 3.59Å; E134-T180 WeakPolarHBondContact CA-O 3.49Å; E134-K181 HydrophobicContact CG-CG 4.14Å; E134-K181 WeakPolarHBondContact OE1-CE 3.24Å; E134-K181 IonicContact OE1-NZ 3.76Å; E134-R253 VanDerWaalsContact CD-NH2 3.31Å; E134-R253 IonicContact OE1-NH2 2.82Å; E134-R253 PolarHBondContact OE1-NH2 3.4Å; E134-R253 VanDerWaalsContact OE1-NH2 3.12Å; E134-R253 IonicContact OE2-CZ 2.71Å; E134-R253 IonicContact OE2-NE 3.62Å; E134-R253 PolarHBondContact OE2-NE 2.9Å; E134-R253 IonicContact OE2-NH2 3.27Å; E134-R253 PolarHBondContact OE2-NH2 2.84Å |
| 135 | K | 94.5 | Very high | 94.3 | Very high | 82 Ų | 82 | 45.2 Ų | 45.2 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.1 | 170.2 | 177.6 | 171 | -176.5 | -169 | 0 | 108.4 | T128 T137 T180 | T128-K135 HydrophobicContact CG2-CG 4.33Å; K135-T137 WeakPolarHBondContact CE-OG1 3.2Å; K135-T180 PolarHBondContact N-O 3.29Å; K135-T180 PolarHBondContact O-N 3.2Å |
| 136 | I | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.7 | 173.3 | -53.3 | 92 | 0 | 0 | 0 | 107.5 | W116 T128 K129 L131 E134 I177 E178 V179 R253 | W116-I136 HydrophobicContact CH2-CB 4.11Å; W116-I136 HydrophobicContact CH2-CG2 3.59Å; W116-I136 HydrophobicContact CZ3-CB 4.24Å; W116-I136 HydrophobicContact CZ3-CG2 3.98Å; T128-I136 WeakPolarHBondContact CA-O 3.4Å; K129-I136 PolarHBondContact N-O 3.28Å; K129-I136 PolarHBondContact O-N 3.46Å; L131-I136 HydrophobicContact CB-CD1 3.82Å; E134-I136 HydrophobicContact CB-CD1 4.43Å; I136-I177 HydrophobicContact CG2-CG2 4.06Å; I136-E178 WeakPolarHBondContact CA-O 3.48Å; I136-V179 HydrophobicContact CG1-CG2 4.44Å; I136-V179 HydrophobicContact CG2-CG2 4.41Å; I136-R253 HydrophobicContact CD1-CB 4.44Å; I136-R253 HydrophobicContact CD1-CG 4.33Å; I136-R253 HydrophobicContact CG1-CB 4.11Å; I136-R253 HydrophobicContact CG1-CG 4.15Å |
| 137 | T | 95.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 124 | 178.8 | -54 | 0 | 0 | 0 | 0 | 108.2 | K126 L127 K135 I177 E178 | K126-T137 HydrophobicContact CD-CG2 4.07Å; K126-T137 HydrophobicContact CG-CG2 3.7Å; L127-T137 CarbonylContact O-C 3.51Å; L127-T137 WeakPolarHBondContact O-CA 3.43Å; K135-T137 WeakPolarHBondContact CE-OG1 3.2Å; T137-I177 CarbonylContact O-C 3.5Å; T137-I177 WeakPolarHBondContact O-CA 3.36Å; T137-E178 PolarHBondContact N-O 3.04Å; T137-E178 PolarHBondContact O-N 2.81Å |
| 138 | V | 97.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.1 | 171.9 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | W116 K126 L127 F175 V176 I177 V255 F259 | W116-V138 HydrophobicContact CH2-CG2 3.89Å; W116-V138 HydrophobicContact CZ3-CG2 3.96Å; K126-V138 CarbonylContact C-O 3.55Å; K126-V138 WeakPolarHBondContact CA-O 3.28Å; L127-V138 HydrophobicContact CB-CB 4.25Å; L127-V138 PolarHBondContact N-O 3.13Å; L127-V138 PolarHBondContact O-N 3.47Å; V138-F175 HydrophobicContact CG1-CB 4.05Å; V138-F175 HydrophobicContact CG1-CD2 3.77Å; V138-F175 HydrophobicContact CG1-CG 4.32Å; V138-V176 CarbonylContact C-O 3.56Å; V138-V176 VanDerWaalsContact CA-O 3.32Å; V138-V176 WeakPolarHBondContact CA-O 3.47Å; V138-I177 HydrophobicContact CG2-CG1 4.2Å; V138-I177 HydrophobicContact CG2-CG2 4.26Å; V138-V255 HydrophobicContact CG2-CG2 4.32Å; V138-F259 HydrophobicContact CB-CZ 4.07Å; V138-F259 HydrophobicContact CG1-CE1 4.3Å; V138-F259 HydrophobicContact CG1-CZ 3.94Å; V138-F259 HydrophobicContact CG2-CE1 4.42Å; V138-F259 HydrophobicContact CG2-CZ 3.82Å |
| 139 | T | 96.7 | Very high | 90.4 | Very high | 38 Ų | 38 | 55.6 Ų | 55.6 | 23% | 0.233 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 132.8 | 179.8 | -48.5 | 0 | 0 | 0 | 0 | 109.7 | E124 A125 F175 V176 | E124-T139 HydrophobicContact CG-CG2 3.83Å; A125-T139 WeakPolarHBondContact O-CA 3.46Å; T139-F175 CarbonylContact O-C 3.58Å; T139-F175 WeakPolarHBondContact O-CA 3.38Å; T139-V176 PolarHBondContact N-O 3.42Å; T139-V176 PolarHBondContact O-N 3.06Å |
| 140 | F | 97.1 | Very high | 88.3 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 2% | 0.022 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 160.4 | 176.1 | 67.5 | -84.9 | 0 | 0 | 0 | 110.8 | A125 L127 V142 P173 F175 L263 L266 I270 | A125-F140 HydrophobicContact CB-CD1 4.02Å; A125-F140 HydrophobicContact CB-CD2 4.25Å; A125-F140 HydrophobicContact CB-CE1 3.48Å; A125-F140 VanDerWaalsContact CB-CE1 3.48Å; A125-F140 HydrophobicContact CB-CE2 3.75Å; A125-F140 HydrophobicContact CB-CG 4.39Å; A125-F140 HydrophobicContact CB-CZ 3.35Å; A125-F140 PolarHBondContact N-O 3.49Å; A125-F140 PolarHBondContact O-N 2.94Å; L127-F140 HydrophobicContact CD1-CE1 4.23Å; L127-F140 HydrophobicContact CG-CE1 4.43Å; F140-V142 HydrophobicContact CD2-CG1 4.33Å; F140-V142 HydrophobicContact CE2-CG1 4.02Å; F140-P173 HydrophobicContact CB-CB 4.35Å; F140-P173 HydrophobicContact CB-CG 4.2Å; F140-P173 HydrophobicContact CD2-CB 4.29Å; F140-P173 HydrophobicContact CD2-CG 3.71Å; F140-P173 HydrophobicContact CE2-CG 4.45Å; F140-P173 HydrophobicContact CG-CG 4.26Å; F140-F175 HydrophobicContact CB-CB 3.86Å; F140-L263 HydrophobicContact CD1-CD1 3.62Å; F140-L263 HydrophobicContact CE1-CD1 3.41Å; F140-L263 VanDerWaalsContact CE1-CD1 3.41Å; F140-L263 HydrophobicContact CE2-CD1 4.42Å; F140-L263 HydrophobicContact CG-CD1 4.21Å; F140-L263 HydrophobicContact CZ-CD1 3.83Å; F140-L266 HydrophobicContact CE1-CD2 4.43Å; F140-L266 HydrophobicContact CZ-CD2 4.12Å; F140-L266 HydrophobicContact CZ-CG 4.34Å; F140-I270 HydrophobicContact CE2-CD1 4.29Å; F140-I270 HydrophobicContact CZ-CD1 3.97Å |
| 141 | N | 96.2 | Very high | 86.2 | Confident | 58 Ų | 58 | 61.7 Ų | 61.7 | 31% | 0.31 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.3 | 178 | -161.2 | -48.2 | 0 | 0 | 0 | 109.9 | T123 N143 P173 | T123-N141 WeakPolarHBondContact CB-OD1 3.5Å; T123-N141 WeakPolarHBondContact O-CA 3.37Å; T123-N141 PolarHBondContact O-OD1 3.33Å; T123-N141 PolarHBondContact OG1-ND2 3.12Å; T123-N141 PolarHBondContact OG1-OD1 2.99Å; N141-N143 VanDerWaalsContact C-N 3.28Å; N141-N143 PolarHBondContact O-N 3.39Å; N141-N143 WeakPolarHBondContact OD1-CB 3.3Å; N141-N143 VanDerWaalsContact OD1-CG 3.28Å; N141-N143 PolarHBondContact OD1-N 3.22Å; N141-N143 PolarHBondContact OD1-ND2 3.36Å; N141-P173 WeakPolarHBondContact O-CB 3.42Å |
| 142 | V | 95.4 | Very high | 84.2 | Confident | 9 Ų | 9 | 63.4 Ų | 63.4 | 6% | 0.055 | 35% | 0.35 | C | S | . | . | trans | -79 | -10.1 | -179.2 | -58.8 | 0 | 0 | 0 | 0 | 113.5 | T123 F140 N144 S145 I270 E271 | T123-V142 HydrophobicContact CG2-CG2 4.19Å; T123-V142 PolarHBondContact O-N 3.05Å; F140-V142 HydrophobicContact CD2-CG1 4.33Å; F140-V142 HydrophobicContact CE2-CG1 4.02Å; V142-N144 PolarHBondContact O-N 2.91Å; V142-S145 VanDerWaalsContact O-CB 3.32Å; V142-S145 WeakPolarHBondContact O-CB 3.49Å; V142-S145 PolarHBondContact O-OG 3.47Å; V142-I270 HydrophobicContact CB-CG2 4.49Å; V142-I270 HydrophobicContact CG1-CB 4.03Å; V142-I270 HydrophobicContact CG1-CG2 3.62Å; V142-I270 HydrophobicContact CG2-CG2 4.16Å; V142-E271 HydrophobicContact CB-CB 4.31Å | ||
| 143 | N | 94.1 | Very high | 82.1 | Confident | 89 Ų | 89 | 65.8 Ų | 65.8 | 48% | 0.476 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 135.6 | 173.9 | -67.9 | -37.6 | 0 | 0 | 0 | 110.9 | T123 N141 S145 | T123-N143 WeakPolarHBondContact CG2-OD1 3.45Å; T123-N143 PolarHBondContact OG1-ND2 2.82Å; N141-N143 VanDerWaalsContact C-N 3.28Å; N141-N143 PolarHBondContact O-N 3.39Å; N141-N143 WeakPolarHBondContact OD1-CB 3.3Å; N141-N143 VanDerWaalsContact OD1-CG 3.28Å; N141-N143 PolarHBondContact OD1-N 3.22Å; N141-N143 PolarHBondContact OD1-ND2 3.36Å; N143-S145 PolarHBondContact O-N 3.45Å; N143-S145 VanDerWaalsContact O-N 3.14Å |
| 144 | N | 90.6 | Very high | 79.9 | Confident | 171 Ų | 171 | 70 Ų | 70 | 91% | 0.914 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 31.6 | 176.8 | -62.7 | 89.1 | 0 | 0 | 0 | 113.4 | V142 | V142-N144 PolarHBondContact O-N 2.91Š|
| 145 | S | 90.3 | Very high | 77.5 | Confident | 7 Ų | 7 | 76.6 Ų | 76.6 | 5% | 0.049 | 40% | 0.397 | C | S | . | . | trans | -95.1 | -9.7 | -175.4 | 61.6 | 0 | 0 | 0 | 0 | 114.1 | V142 N143 P147 S171 T172 | V142-S145 VanDerWaalsContact O-CB 3.32Å; V142-S145 WeakPolarHBondContact O-CB 3.49Å; V142-S145 PolarHBondContact O-OG 3.47Å; N143-S145 PolarHBondContact O-N 3.45Å; N143-S145 VanDerWaalsContact O-N 3.14Å; S145-P147 WeakPolarHBondContact O-CD 3.49Å; S145-S171 VanDerWaalsContact CB-OG 3.26Å; S145-S171 WeakPolarHBondContact CB-OG 3.1Å; S145-S171 PolarHBondContact OG-OG 3.37Å; S145-T172 CarbonylContact O-C 3.56Å; S145-T172 PolarHBondContact O-N 3.49Å | ||
| 146 | I | 89.1 | Confident | 74.9 | Confident | 70 Ų | 70 | 81.9 Ų | 81.9 | 36% | 0.359 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -89.6 | 115.7 | 178 | -61.3 | 161.2 | 0 | 0 | 0 | 107.5 | I169 E271 | I146-I169 HydrophobicContact CB-CG2 4.48Å; I146-I169 HydrophobicContact CD1-CG2 3.34Å; I146-I169 HydrophobicContact CG1-CG2 3.69Å; I146-I169 HydrophobicContact CG2-CG2 3.93Å; I146-E271 HydrophobicContact CD1-CG 4.02Å; I146-E271 HydrophobicContact CG1-CG 4.46Å |
| 147 | P | 82.9 | Confident | 72.5 | Confident | 55 Ų | 55 | 84.5 Ų | 84.5 | 36% | 0.357 | 45% | 0.45 | S | S | . | . | trans | -64.8 | 143.1 | 176.2 | 25.7 | -30.6 | 0 | 0 | 0 | 109.8 | S145 N149 | S145-P147 WeakPolarHBondContact O-CD 3.49Å; P147-N149 PolarHBondContact O-N 3.24Å; P147-N149 VanDerWaalsContact O-N 3.16Å | ||
| 148 | P | 73.1 | Confident | 70 | Confident | 83 Ų | 83 | 93.3 Ų | 93.3 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | trans | -59.8 | 121.6 | 173.9 | 25 | -32.6 | 0 | 0 | 0 | 109.3 | F150 | P148-F150 HydrophobicContact CB-CE2 4.15Å; P148-F150 HydrophobicContact CB-CZ 4.31Å; P148-F150 HydrophobicContact CG-CD2 4.18Å; P148-F150 HydrophobicContact CG-CE2 3.5Å; P148-F150 VanDerWaalsContact CG-CE2 3.5Å; P148-F150 HydrophobicContact CG-CZ 3.88Å; P148-F150 VanDerWaalsContact O-CD2 3.29Å; P148-F150 WeakPolarHBondContact O-CD2 3.22Å; P148-F150 PolarHBondContact O-N 3.47Å | ||
| 149 | N | 59.1 | Low | 67.2 | Low | 91 Ų | 91 | 102.3 Ų | 102.3 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | trans | -68.9 | 94 | -179.5 | -154 | 24.7 | 0 | 0 | 0 | 109.6 | P147 E151 D152 | P147-N149 PolarHBondContact O-N 3.24Å; P147-N149 VanDerWaalsContact O-N 3.16Å; N149-E151 PolarHBondContact O-N 2.83Å; N149-D152 PolarHBondContact ND2-OD2 2.84Å | ||
| 150 | F | 52.3 | Low | 64.7 | Low | 148 Ų | 148 | 110 Ų | 110 | 65% | 0.649 | 57% | 0.566 | S | S | * | * | trans | -77.5 | -9.1 | 175.8 | -70.9 | -72.8 | 0 | 0 | 0 | 112.5 | P148 | P148-F150 HydrophobicContact CB-CE2 4.15Å; P148-F150 HydrophobicContact CB-CZ 4.31Å; P148-F150 HydrophobicContact CG-CD2 4.18Å; P148-F150 HydrophobicContact CG-CE2 3.5Å; P148-F150 VanDerWaalsContact CG-CE2 3.5Å; P148-F150 HydrophobicContact CG-CZ 3.88Å; P148-F150 VanDerWaalsContact O-CD2 3.29Å; P148-F150 WeakPolarHBondContact O-CD2 3.22Å; P148-F150 PolarHBondContact O-N 3.47Å | ||
| 151 | E | 49.9 | Very low | 62 | Low | 145 Ų | 145 | 116.5 Ų | 116.5 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -82.7 | -22.2 | -176.3 | -58.9 | -170.5 | 164.2 | 0 | 0 | 113.4 | N149 E153 V154 | N149-E151 PolarHBondContact O-N 2.83Å; E151-E153 PolarHBondContact O-N 3.49Å; E151-V154 WeakPolarHBondContact O-CG2 3.4Å; E151-V154 PolarHBondContact O-N 2.94Å |
| 152 | D | 47.5 | Very low | 59 | Low | 90 Ų | 90 | 116.7 Ų | 116.7 | 48% | 0.481 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -70.3 | -12.4 | 178.6 | -79.3 | -36.4 | 0 | 0 | 0 | 113.7 | N149 | N149-D152 PolarHBondContact ND2-OD2 2.84Š|
| 153 | E | 42.9 | Very low | 56.5 | Low | 172 Ų | 172 | 122.9 Ų | 122.9 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -85 | -15.9 | 177.1 | -75.5 | -165 | 155.4 | 0 | 0 | 113.9 | E151 | E151-E153 PolarHBondContact O-N 3.49Š|
| 154 | V | 43.6 | Very low | 54 | Low | 127 Ų | 127 | 126.9 Ų | 126.9 | 77% | 0.77 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | -14.9 | -176.1 | -102 | 0 | 0 | 0 | 0 | 114.9 | E151 | E151-V154 WeakPolarHBondContact O-CG2 3.4Å; E151-V154 PolarHBondContact O-N 2.94Å |
| 155 | E | 42.2 | Very low | 51.8 | Low | 168 Ų | 168 | 123.4 Ų | 123.4 | 79% | 0.785 | 64% | 0.638 | S | S | * | * | trans | -103.7 | 24.6 | -175.3 | -97.6 | -165.8 | 160.2 | 0 | 0 | 115.9 | G157 | E155-G157 PolarHBondContact O-N 3.5Š| ||
| 156 | Q | 40.4 | Very low | 50 | Low | 193 Ų | 193 | 129 Ų | 129 | 90% | 0.902 | 66% | 0.663 | S | S | * | * | trans | -74.1 | 31.4 | 166.6 | -72.4 | -168.4 | 30.3 | 0 | 0 | 113.8 | ||||
| 157 | G | 44.8 | Very low | 48.5 | Very low | 55 Ų | 55 | 129.4 Ų | 129.4 | 57% | 0.567 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -144 | 80.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E155 | E155-G157 PolarHBondContact O-N 3.5Š|
| 158 | Q | 44.8 | Very low | 47.8 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 87% | 0.869 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 81.7 | 88.5 | 166.8 | -50.6 | 172.9 | 15.8 | 0 | 0 | 116.8 | ||
| 159 | Q | 38.2 | Very low | 48.2 | Very low | 189 Ų | 189 | 133.9 Ų | 133.9 | 88% | 0.883 | 68% | 0.681 | S | S | * | * | -167.1 | 143.6 | 121.1 | -105.7 | 157.4 | 40.6 | 0 | 0 | 110.6 | K161 | Q159-K161 PolarHBondContact O-N 2.89Š| |||
| 160 | Q | 44.9 | Very low | 49.6 | Very low | 199 Ų | 199 | 132.4 Ų | 132.4 | 93% | 0.93 | 68% | 0.676 | S | S | * | * | trans | -63.1 | 97.7 | 171.4 | -74.7 | 173.2 | -71.4 | 0 | 0 | 108.2 | S162 | Q160-S162 PolarHBondContact O-N 3.33Š| ||
| 161 | K | 39.2 | Very low | 51.5 | Low | 142 Ų | 142 | 125.4 Ų | 125.4 | 62% | 0.617 | 65% | 0.645 | S | S | * | * | trans | -66.4 | 118.9 | 170.7 | -139.7 | 171.2 | -176.2 | 173 | 0 | 108 | Q159 | Q159-K161 PolarHBondContact O-N 2.89Š| ||
| 162 | S | 34.5 | Very low | 53.6 | Low | 62 Ų | 62 | 119.8 Ų | 119.8 | 43% | 0.434 | 62% | 0.62 | S | S | . | * | trans | -53.1 | 145.9 | 167.5 | 1.3 | 0 | 0 | 0 | 0 | 109.4 | Q160 E164 D165 | Q160-S162 PolarHBondContact O-N 3.33Å; S162-E164 PolarHBondContact O-N 2.91Å; S162-D165 PolarHBondContact OG-OD2 3.35Å; S162-D165 VanDerWaalsContact OG-OD2 3.1Å | ||
| 163 | P | 41.3 | Very low | 55.9 | Low | 138 Ų | 138 | 115.6 Ų | 115.6 | 90% | 0.896 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 16.5 | 177.2 | 31.9 | -34.8 | 0 | 0 | 0 | 113.8 | ||
| 164 | E | 41.4 | Very low | 58.4 | Low | 174 Ų | 174 | 111.2 Ų | 111.2 | 81% | 0.813 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | -9.5 | -178.1 | -71.9 | -174.9 | 168 | 0 | 0 | 113.6 | S162 E166 | S162-E164 PolarHBondContact O-N 2.91Å; E164-E166 PolarHBondContact O-N 3.24Å |
| 165 | D | 44.8 | Very low | 61 | Low | 98 Ų | 98 | 105.2 Ų | 105.2 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | trans | -101.6 | 71.4 | 178.4 | -62.6 | -53.2 | 0 | 0 | 0 | 109.8 | S162 | S162-D165 PolarHBondContact OG-OD2 3.35Å; S162-D165 VanDerWaalsContact OG-OD2 3.1Å | ||
| 166 | E | 53.9 | Low | 63.6 | Low | 123 Ų | 123 | 99.6 Ų | 99.6 | 58% | 0.575 | 52% | 0.521 | S | S | * | . | trans | -58.4 | 140.8 | 161.6 | -74.5 | -178.9 | 169.3 | 0 | 0 | 108.9 | I103 E164 E168 | I103-E166 VanDerWaalsContact CD1-OE2 3.23Å; I103-E166 WeakPolarHBondContact CD1-OE2 3.49Å; E164-E166 PolarHBondContact O-N 3.24Å; E166-E168 PolarHBondContact O-N 2.89Å | ||
| 167 | P | 56.3 | Low | 66.3 | Low | 80 Ų | 80 | 90.4 Ų | 90.4 | 52% | 0.519 | 48% | 0.478 | S | S | . | . | trans | -56.3 | 118.5 | 178.6 | 24.1 | -31.7 | 0 | 0 | 0 | 108.3 | I169 | P167-I169 VanDerWaalsContact C-N 3.34Å; P167-I169 PolarHBondContact O-N 2.83Å | ||
| 168 | E | 69.3 | Low | 68.8 | Low | 135 Ų | 135 | 90.4 Ų | 90.4 | 63% | 0.631 | 46% | 0.463 | S | S | * | . | trans | -68 | 99.5 | 175.1 | -176.5 | 150.4 | -132.6 | 0 | 0 | 107.1 | K105 E166 V170 | K105-E168 IonicContact NZ-OE1 3.12Å; K105-E168 PolarHBondContact NZ-OE1 3.46Å; E166-E168 PolarHBondContact O-N 2.89Å; E168-V170 HydrophobicContact CG-CG2 4.17Å; E168-V170 PolarHBondContact O-N 3.49Å; E168-V170 VanDerWaalsContact O-N 3.12Å | ||
| 169 | I | 81.4 | Confident | 71.2 | Confident | 96 Ų | 96 | 81.7 Ų | 81.7 | 49% | 0.492 | 42% | 0.423 | S | S | . | . | trans | -67.2 | 111.3 | 175.6 | -62.6 | 175.4 | 0 | 0 | 0 | 106.5 | I146 P167 T268 | I146-I169 HydrophobicContact CB-CG2 4.48Å; I146-I169 HydrophobicContact CD1-CG2 3.34Å; I146-I169 HydrophobicContact CG1-CG2 3.69Å; I146-I169 HydrophobicContact CG2-CG2 3.93Å; P167-I169 VanDerWaalsContact C-N 3.34Å; P167-I169 PolarHBondContact O-N 2.83Å; I169-T268 WeakPolarHBondContact O-CG2 3.11Å | ||
| 170 | V | 88.8 | Confident | 73.9 | Confident | 61 Ų | 61 | 73.1 Ų | 73.1 | 37% | 0.37 | 38% | 0.383 | S | S | . | . | trans | -101.5 | 129.2 | 177.1 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | E168 T172 T264 | E168-V170 HydrophobicContact CG-CG2 4.17Å; E168-V170 PolarHBondContact O-N 3.49Å; E168-V170 VanDerWaalsContact O-N 3.12Å; V170-T172 HydrophobicContact CG1-CG2 4.08Å; V170-T264 HydrophobicContact CG1-CG2 3.27Å | ||
| 171 | S | 91.6 | Very high | 76.2 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.007 | 36% | 0.363 | C | S | . | . | trans | -99.7 | 114.1 | 176.4 | 173.2 | 0 | 0 | 0 | 0 | 109.8 | S145 P173 S267 T268 | S145-S171 VanDerWaalsContact CB-OG 3.26Å; S145-S171 WeakPolarHBondContact CB-OG 3.1Å; S145-S171 PolarHBondContact OG-OG 3.37Å; S171-P173 VanDerWaalsContact C-CD 3.47Å; S171-P173 VanDerWaalsContact O-CD 3.26Å; S171-P173 WeakPolarHBondContact O-CD 3.27Å; S171-S267 PolarHBondContact OG-OG 2.84Å; S171-T268 PolarHBondContact N-OG1 3.17Å | ||
| 172 | T | 94.4 | Very high | 78.5 | Confident | 26 Ų | 26 | 70.5 Ų | 70.5 | 16% | 0.16 | 37% | 0.371 | C | S | . | . | trans | -116.6 | 73 | 179.1 | 54.7 | 0 | 0 | 0 | 0 | 110 | S145 V170 F194 T264 | S145-T172 CarbonylContact O-C 3.56Å; S145-T172 PolarHBondContact O-N 3.49Å; V170-T172 HydrophobicContact CG1-CG2 4.08Å; T172-F194 HydrophobicContact CG2-CB 4.46Å; T172-F194 HydrophobicContact CG2-CD2 4.44Å; T172-F194 HydrophobicContact CG2-CG 4.26Å; T172-T264 HydrophobicContact CG2-CG2 4.07Å | ||
| 173 | P | 95.6 | Very high | 80.8 | Confident | 2 Ų | 2 | 71.2 Ų | 71.2 | 1% | 0.013 | 39% | 0.389 | C | S | . | . | trans | -71.5 | 150.6 | -177.2 | 33.1 | -38.5 | 0 | 0 | 0 | 111.5 | F140 N141 S171 F194 S267 | F140-P173 HydrophobicContact CB-CB 4.35Å; F140-P173 HydrophobicContact CB-CG 4.2Å; F140-P173 HydrophobicContact CD2-CB 4.29Å; F140-P173 HydrophobicContact CD2-CG 3.71Å; F140-P173 HydrophobicContact CE2-CG 4.45Å; F140-P173 HydrophobicContact CG-CG 4.26Å; N141-P173 WeakPolarHBondContact O-CB 3.42Å; S171-P173 VanDerWaalsContact C-CD 3.47Å; S171-P173 VanDerWaalsContact O-CD 3.26Å; S171-P173 WeakPolarHBondContact O-CD 3.27Å; P173-F194 WeakPolarHBondContact O-CD2 3.33Å; P173-F194 WeakPolarHBondContact O-CE2 3.13Å; P173-S267 VanDerWaalsContact CD-OG 3.31Å; P173-S267 WeakPolarHBondContact CD-OG 3.39Å; P173-S267 VanDerWaalsContact CG-OG 3.29Å; P173-S267 WeakPolarHBondContact CG-OG 3.49Å | ||
| 174 | N | 96 | Very high | 82.7 | Confident | 81 Ų | 81 | 66 Ų | 66 | 43% | 0.433 | 36% | 0.36 | S | S | . | . | trans | -63.8 | 144.8 | 161 | -60.5 | -35.2 | 0 | 0 | 0 | 109.3 | C192 H193 | N174-C192 WeakPolarHBondContact CA-O 3.41Å; N174-H193 WeakPolarHBondContact OD1-CB 3.48Å | ||
| 175 | F | 97.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 144.2 | -178.6 | 63.1 | -86.6 | 0 | 0 | 0 | 111.2 | V138 T139 F140 I177 C192 F194 F211 V255 F259 L263 | V138-F175 HydrophobicContact CG1-CB 4.05Å; V138-F175 HydrophobicContact CG1-CD2 3.77Å; V138-F175 HydrophobicContact CG1-CG 4.32Å; T139-F175 CarbonylContact O-C 3.58Å; T139-F175 WeakPolarHBondContact O-CA 3.38Å; F140-F175 HydrophobicContact CB-CB 3.86Å; F175-I177 HydrophobicContact CD2-CD1 4.37Å; F175-I177 HydrophobicContact CD2-CG1 3.94Å; F175-I177 HydrophobicContact CE2-CD1 3.91Å; F175-I177 HydrophobicContact CE2-CG1 3.98Å; F175-C192 HydrophobicContact CD1-CB 4.19Å; F175-C192 HydrophobicContact CD2-CB 3.85Å; F175-C192 HydrophobicContact CE1-CB 3.87Å; F175-C192 HydrophobicContact CE2-CB 3.52Å; F175-C192 HydrophobicContact CG-CB 4.19Å; F175-C192 HydrophobicContact CZ-CB 3.53Å; F175-C192 PolarHBondContact N-O 2.87Å; F175-C192 WeakPolarHBondContact O-CA 3.47Å; F175-C192 WeakPolarHBondContact O-CB 3.23Å; F175-C192 PolarHBondContact O-N 3.02Å; F175-F194 AromaticContact CD1-CE2 3.93Å; F175-F194 HydrophobicContact CD1-CE2 3.93Å; F175-F194 HydrophobicContact CD1-CZ 4.39Å; F175-F194 HydrophobicContact CE1-CD2 4.46Å; F175-F194 AromaticContact CE1-CE2 3.83Å; F175-F194 HydrophobicContact CE1-CE2 3.83Å; F175-F194 AromaticContact CE1-CZ 3.95Å; F175-F194 HydrophobicContact CE1-CZ 3.95Å; F175-F211 HydrophobicContact CE1-CB 4.02Å; F175-F211 HydrophobicContact CE1-CD2 4.49Å; F175-F211 HydrophobicContact CE1-CG 4.32Å; F175-F211 HydrophobicContact CE2-CD2 4.37Å; F175-F211 HydrophobicContact CZ-CB 3.9Å; F175-F211 HydrophobicContact CZ-CD1 4.34Å; F175-F211 AromaticContact CZ-CD2 3.64Å; F175-F211 HydrophobicContact CZ-CD2 3.64Å; F175-F211 HydrophobicContact CZ-CE2 4.23Å; F175-F211 AromaticContact CZ-CG 3.69Å; F175-F211 HydrophobicContact CZ-CG 3.69Å; F175-V255 HydrophobicContact CE2-CG1 4.45Å; F175-F259 HydrophobicContact CE2-CE1 4.31Å; F175-L263 HydrophobicContact CB-CD2 4.04Å; F175-L263 HydrophobicContact CD1-CD2 3.52Å; F175-L263 HydrophobicContact CD2-CD2 4.17Å; F175-L263 HydrophobicContact CE1-CD2 3.91Å; F175-L263 HydrophobicContact CE2-CD2 4.48Å; F175-L263 HydrophobicContact CG-CD2 3.66Å; F175-L263 HydrophobicContact CZ-CD2 4.36Å |
| 176 | V | 97.1 | Very high | 87.1 | Confident | 50 Ų | 50 | 66.2 Ų | 66.2 | 30% | 0.303 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123.4 | -176.4 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | V138 T139 V189 F190 | V138-V176 CarbonylContact C-O 3.56Å; V138-V176 VanDerWaalsContact CA-O 3.32Å; V138-V176 WeakPolarHBondContact CA-O 3.47Å; T139-V176 PolarHBondContact N-O 3.42Å; T139-V176 PolarHBondContact O-N 3.06Å; V176-V189 HydrophobicContact CG1-CG1 3.32Å; V176-F190 CarbonylContact C-O 3.42Å; V176-F190 WeakPolarHBondContact CA-O 3.38Å |
| 177 | I | 97.3 | Very high | 89 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 119 | 178 | -48.3 | 160.7 | 0 | 0 | 0 | 108.3 | I136 T137 V138 F175 V179 V189 F190 C192 L250 V255 | I136-I177 HydrophobicContact CG2-CG2 4.06Å; T137-I177 CarbonylContact O-C 3.5Å; T137-I177 WeakPolarHBondContact O-CA 3.36Å; V138-I177 HydrophobicContact CG2-CG1 4.2Å; V138-I177 HydrophobicContact CG2-CG2 4.26Å; F175-I177 HydrophobicContact CD2-CD1 4.37Å; F175-I177 HydrophobicContact CD2-CG1 3.94Å; F175-I177 HydrophobicContact CE2-CD1 3.91Å; F175-I177 HydrophobicContact CE2-CG1 3.98Å; I177-V179 HydrophobicContact CG2-CG2 4.18Å; I177-V189 CarbonylContact O-C 3.59Å; I177-V189 VanDerWaalsContact O-CA 3.29Å; I177-V189 WeakPolarHBondContact O-CA 3.31Å; I177-F190 HydrophobicContact CB-CB 4.25Å; I177-F190 HydrophobicContact CD1-CB 4.38Å; I177-F190 PolarHBondContact N-O 3.47Å; I177-F190 PolarHBondContact O-N 2.96Å; I177-C192 VanDerWaalsContact CD1-SG 3.58Å; I177-L250 HydrophobicContact CB-CD2 4.49Å; I177-L250 HydrophobicContact CD1-CD1 3.61Å; I177-L250 HydrophobicContact CD1-CD2 3.73Å; I177-L250 HydrophobicContact CD1-CG 4.25Å; I177-L250 HydrophobicContact CG2-CD2 4.04Å; I177-V255 HydrophobicContact CD1-CB 4.45Å; I177-V255 HydrophobicContact CD1-CG1 3.62Å; I177-V255 HydrophobicContact CG1-CG1 4.38Å |
| 178 | E | 95.7 | Very high | 90.9 | Very high | 55 Ų | 55 | 58.2 Ų | 58.2 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123.1 | 172.3 | -177.2 | -175 | -165.3 | 0 | 0 | 109.7 | I136 T137 S187 V189 | I136-E178 WeakPolarHBondContact CA-O 3.48Å; T137-E178 PolarHBondContact N-O 3.04Å; T137-E178 PolarHBondContact O-N 2.81Å; E178-S187 WeakPolarHBondContact OE1-CB 3.38Å; E178-S187 PolarHBondContact OE1-OG 2.85Å; E178-V189 HydrophobicContact CB-CG2 4.45Å; E178-V189 HydrophobicContact CG-CG2 4.17Å |
| 179 | V | 95.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 112.6 | 174.6 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | I136 I177 S187 L188 F249 | I136-V179 HydrophobicContact CG1-CG2 4.44Å; I136-V179 HydrophobicContact CG2-CG2 4.41Å; I177-V179 HydrophobicContact CG2-CG2 4.18Å; V179-S187 WeakPolarHBondContact O-CA 3.46Å; V179-L188 PolarHBondContact N-O 2.73Å; V179-L188 PolarHBondContact O-N 2.71Å; V179-F249 HydrophobicContact CB-CE1 4.43Å; V179-F249 HydrophobicContact CG1-CE1 4.38Å; V179-F249 HydrophobicContact CG1-CZ 4.14Å; V179-F249 HydrophobicContact CG2-CE1 4.1Å |
| 180 | T | 94.5 | Very high | 92.9 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 5% | 0.049 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.7 | 178.7 | -44.6 | 0 | 0 | 0 | 0 | 109.9 | E134 K135 S187 E221 | E134-T180 CarbonylContact C-O 3.59Å; E134-T180 WeakPolarHBondContact CA-O 3.49Å; K135-T180 PolarHBondContact N-O 3.29Å; K135-T180 PolarHBondContact O-N 3.2Å; T180-S187 PolarHBondContact OG1-OG 2.82Å; T180-E221 HydrophobicContact CG2-CB 4.48Å; T180-E221 HydrophobicContact CG2-CG 3.83Å; T180-E221 WeakPolarHBondContact CG2-OE2 3.22Å |
| 181 | K | 93.2 | Very high | 93.3 | Very high | 114 Ų | 114 | 45.8 Ų | 45.8 | 50% | 0.496 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 143.6 | 174.3 | -58 | -167.8 | 179.2 | -170.1 | 0 | 110.3 | E134 G183 G184 | E134-K181 HydrophobicContact CG-CG 4.14Å; E134-K181 WeakPolarHBondContact OE1-CE 3.24Å; E134-K181 IonicContact OE1-NZ 3.76Å; K181-G183 PolarHBondContact O-N 3.08Å; K181-G184 PolarHBondContact O-N 3.01Å |
| 182 | Q | 89 | Confident | 93.6 | Very high | 172 Ų | 172 | 45.8 Ų | 45.8 | 80% | 0.804 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 122.6 | 177.2 | -179.1 | 175.6 | 34.3 | 0 | 0 | 111.4 | G133 G184 | G133-Q182 WeakPolarHBondContact O-CB 3.42Å; G133-Q182 PolarHBondContact O-N 3.22Å; Q182-G184 VanDerWaalsContact C-N 3.27Å; Q182-G184 PolarHBondContact O-N 3.29Å |
| 183 | G | 82.1 | Confident | 93.6 | Very high | 78 Ų | 78 | 47 Ų | 47 | 80% | 0.804 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | 9.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K181 | K181-G183 PolarHBondContact O-N 3.08Š|
| 184 | G | 81.1 | Confident | 93.4 | Very high | 27 Ų | 27 | 47.9 Ų | 47.9 | 28% | 0.278 | 26% | 0.256 | S | S | . | . | trans | -62.3 | 162 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K181 Q182 | K181-G184 PolarHBondContact O-N 3.01Å; Q182-G184 VanDerWaalsContact C-N 3.27Å; Q182-G184 PolarHBondContact O-N 3.29Å | ||
| 185 | K | 87.1 | Confident | 93 | Very high | 168 Ų | 168 | 45.9 Ų | 45.9 | 73% | 0.73 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -108.7 | -8.3 | 165.8 | -64.5 | -177.1 | -180 | 179.9 | 0 | 111.7 | E221 | K185-E221 PolarHBondContact O-N 3.42Š|
| 186 | H | 90.6 | Very high | 91.7 | Very high | 110 Ų | 110 | 53.2 Ų | 53.2 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 145 | -172 | -57.2 | -66 | 0 | 0 | 0 | 108.3 | F218 Q219 | H186-F218 HydrophobicContact CB-CD1 4.48Å; H186-Q219 CarbonylContact C-O 3.54Å; H186-Q219 WeakPolarHBondContact CA-O 3.27Å; H186-Q219 WeakPolarHBondContact CB-O 3.26Å |
| 187 | S | 94.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 144.7 | 168 | -53.3 | 0 | 0 | 0 | 0 | 109.3 | E178 V179 T180 F218 Q219 | E178-S187 WeakPolarHBondContact OE1-CB 3.38Å; E178-S187 PolarHBondContact OE1-OG 2.85Å; V179-S187 WeakPolarHBondContact O-CA 3.46Å; T180-S187 PolarHBondContact OG1-OG 2.82Å; S187-F218 WeakPolarHBondContact O-CA 3.29Å; S187-Q219 PolarHBondContact N-O 2.84Å; S187-Q219 PolarHBondContact O-N 3.4Å |
| 188 | L | 95.6 | Very high | 87.4 | Confident | 35 Ų | 35 | 64.7 Ų | 64.7 | 18% | 0.183 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 123.9 | 167.5 | -177.8 | 61.5 | 0 | 0 | 0 | 107.7 | V179 F190 V216 F218 F249 | V179-L188 PolarHBondContact N-O 2.73Å; V179-L188 PolarHBondContact O-N 2.71Å; L188-F190 HydrophobicContact CB-CE2 4.38Å; L188-F190 HydrophobicContact CD2-CE1 4.5Å; L188-F190 HydrophobicContact CD2-CE2 3.56Å; L188-F190 HydrophobicContact CD2-CZ 3.41Å; L188-F190 VanDerWaalsContact CD2-CZ 3.41Å; L188-F190 HydrophobicContact CG-CD2 4.32Å; L188-F190 HydrophobicContact CG-CE2 3.51Å; L188-F190 HydrophobicContact CG-CZ 3.73Å; L188-V216 HydrophobicContact CD1-CG1 3.73Å; L188-F218 HydrophobicContact CB-CD1 4.46Å; L188-F218 HydrophobicContact CB-CE1 4.18Å; L188-F218 HydrophobicContact CD1-CD1 4.15Å; L188-F218 HydrophobicContact CD1-CD2 4.5Å; L188-F218 HydrophobicContact CD1-CE1 3.81Å; L188-F218 HydrophobicContact CD1-CE2 4.18Å; L188-F218 HydrophobicContact CD1-CG 4.49Å; L188-F218 HydrophobicContact CD1-CZ 3.83Å; L188-F249 HydrophobicContact CD2-CE1 4.1Å; L188-F249 HydrophobicContact CD2-CZ 4.2Å |
| 189 | V | 96.4 | Very high | 85.1 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 5% | 0.048 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.4 | -174.3 | -172.5 | 0 | 0 | 0 | 0 | 110.1 | V176 I177 E178 V216 S217 Q219 W226 | V176-V189 HydrophobicContact CG1-CG1 3.32Å; I177-V189 CarbonylContact O-C 3.59Å; I177-V189 VanDerWaalsContact O-CA 3.29Å; I177-V189 WeakPolarHBondContact O-CA 3.31Å; E178-V189 HydrophobicContact CB-CG2 4.45Å; E178-V189 HydrophobicContact CG-CG2 4.17Å; V189-V216 CarbonylContact O-C 3.2Å; V189-V216 WeakPolarHBondContact O-CA 3.34Å; V189-S217 PolarHBondContact N-O 3.19Å; V189-S217 PolarHBondContact O-N 3.09Å; V189-Q219 HydrophobicContact CB-CG 4.27Å; V189-Q219 HydrophobicContact CG2-CB 3.84Å; V189-Q219 HydrophobicContact CG2-CG 3.61Å; V189-W226 HydrophobicContact CB-CZ3 4.33Å; V189-W226 HydrophobicContact CG1-CH2 4.27Å; V189-W226 HydrophobicContact CG1-CZ3 3.83Å |
| 190 | F | 97.6 | Very high | 82.3 | Confident | 3 Ų | 3 | 73.9 Ų | 73.9 | 1% | 0.013 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.7 | 175.5 | -57 | -98.9 | 0 | 0 | 0 | 108.6 | V176 I177 L188 I213 E215 V216 M246 F249 L250 | V176-F190 CarbonylContact C-O 3.42Å; V176-F190 WeakPolarHBondContact CA-O 3.38Å; I177-F190 HydrophobicContact CB-CB 4.25Å; I177-F190 HydrophobicContact CD1-CB 4.38Å; I177-F190 PolarHBondContact N-O 3.47Å; I177-F190 PolarHBondContact O-N 2.96Å; L188-F190 HydrophobicContact CB-CE2 4.38Å; L188-F190 HydrophobicContact CD2-CE1 4.5Å; L188-F190 HydrophobicContact CD2-CE2 3.56Å; L188-F190 HydrophobicContact CD2-CZ 3.41Å; L188-F190 VanDerWaalsContact CD2-CZ 3.41Å; L188-F190 HydrophobicContact CG-CD2 4.32Å; L188-F190 HydrophobicContact CG-CE2 3.51Å; L188-F190 HydrophobicContact CG-CZ 3.73Å; F190-I213 HydrophobicContact CB-CG2 4.44Å; F190-I213 HydrophobicContact CD1-CD1 4.04Å; F190-I213 HydrophobicContact CD1-CG2 4.08Å; F190-I213 HydrophobicContact CE1-CD1 4.44Å; F190-E215 WeakPolarHBondContact CA-O 3.26Å; F190-V216 HydrophobicContact CD1-CB 4.45Å; F190-V216 HydrophobicContact CD1-CG1 4.04Å; F190-V216 HydrophobicContact CD1-CG2 3.64Å; F190-V216 HydrophobicContact CE1-CG1 3.96Å; F190-V216 HydrophobicContact CE1-CG2 4.02Å; F190-M246 HydrophobicContact CE1-CB 4.16Å; F190-M246 HydrophobicContact CE1-CG 4.27Å; F190-F249 HydrophobicContact CE2-CD1 4.09Å; F190-F249 AromaticContact CE2-CE1 3.84Å; F190-F249 HydrophobicContact CE2-CE1 3.84Å; F190-F249 AromaticContact CZ-CD1 3.83Å; F190-F249 HydrophobicContact CZ-CD1 3.83Å; F190-F249 AromaticContact CZ-CE1 3.95Å; F190-F249 HydrophobicContact CZ-CE1 3.95Å; F190-L250 HydrophobicContact CD1-CD1 4.4Å; F190-L250 HydrophobicContact CD2-CD2 3.81Å; F190-L250 HydrophobicContact CE2-CD2 3.89Å; F190-L250 HydrophobicContact CG-CD1 4.42Å; F190-L250 HydrophobicContact CG-CD2 4.17Å; F190-L250 HydrophobicContact CZ-CD2 4.32Å |
| 191 | D | 96.8 | Very high | 79.7 | Confident | 20 Ų | 20 | 82.2 Ų | 82.2 | 11% | 0.107 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 116.4 | 170.9 | 179.1 | 33 | 0 | 0 | 0 | 108.4 | R214 E215 | D191-R214 PolarHBondContact O-N 2.74Å; D191-R214 IonicContact OD1-NH2 3.72Å; D191-R214 IonicContact OD2-CZ 3.18Å; D191-R214 IonicContact OD2-NE 2.96Å; D191-R214 PolarHBondContact OD2-NE 3.33Å; D191-R214 IonicContact OD2-NH2 2.65Å; D191-R214 PolarHBondContact OD2-NH2 2.86Å; D191-E215 HydrophobicContact CB-CB 4.07Å; D191-E215 PolarHBondContact N-O 3.12Å; D191-E215 PolarHBondContact O-N 3.2Å |
| 192 | C | 96.9 | Very high | 77 | Confident | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 149.8 | -172.1 | -63.9 | 0 | 0 | 0 | 0 | 110.9 | N174 F175 I177 F211 A212 | N174-C192 WeakPolarHBondContact CA-O 3.41Å; F175-C192 HydrophobicContact CD1-CB 4.19Å; F175-C192 HydrophobicContact CD2-CB 3.85Å; F175-C192 HydrophobicContact CE1-CB 3.87Å; F175-C192 HydrophobicContact CE2-CB 3.52Å; F175-C192 HydrophobicContact CG-CB 4.19Å; F175-C192 HydrophobicContact CZ-CB 3.53Å; F175-C192 PolarHBondContact N-O 2.87Å; F175-C192 WeakPolarHBondContact O-CA 3.47Å; F175-C192 WeakPolarHBondContact O-CB 3.23Å; F175-C192 PolarHBondContact O-N 3.02Å; I177-C192 VanDerWaalsContact CD1-SG 3.58Å; C192-F211 HydrophobicContact CB-CD2 4.02Å; C192-A212 WeakPolarHBondContact CA-O 3.48Å |
| 193 | H | 95.2 | Very high | 74.6 | Confident | 53 Ų | 53 | 81.9 Ų | 81.9 | 25% | 0.245 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 159.9 | 179.1 | 71.1 | -59.4 | 0 | 0 | 0 | 111.1 | N174 F211 A212 | N174-H193 WeakPolarHBondContact OD1-CB 3.48Å; H193-F211 WeakPolarHBondContact O-CA 3.32Å; H193-A212 PolarHBondContact N-O 2.88Å; H193-A212 PolarHBondContact ND1-O 3.16Å; H193-A212 PolarHBondContact O-N 3.12Å |
| 194 | F | 92.4 | Very high | 72.6 | Confident | 20 Ų | 20 | 80.8 Ų | 80.8 | 9% | 0.088 | 44% | 0.438 | C | S | . | . | trans | -88.7 | 119.1 | 170.4 | -65.6 | -85.8 | 0 | 0 | 0 | 108.6 | T172 P173 F175 I210 F211 A260 L263 T264 | T172-F194 HydrophobicContact CG2-CB 4.46Å; T172-F194 HydrophobicContact CG2-CD2 4.44Å; T172-F194 HydrophobicContact CG2-CG 4.26Å; P173-F194 WeakPolarHBondContact O-CD2 3.33Å; P173-F194 WeakPolarHBondContact O-CE2 3.13Å; F175-F194 AromaticContact CD1-CE2 3.93Å; F175-F194 HydrophobicContact CD1-CE2 3.93Å; F175-F194 HydrophobicContact CD1-CZ 4.39Å; F175-F194 HydrophobicContact CE1-CD2 4.46Å; F175-F194 AromaticContact CE1-CE2 3.83Å; F175-F194 HydrophobicContact CE1-CE2 3.83Å; F175-F194 AromaticContact CE1-CZ 3.95Å; F175-F194 HydrophobicContact CE1-CZ 3.95Å; F194-I210 HydrophobicContact CD1-CG2 4.18Å; F194-I210 WeakPolarHBondContact CD1-O 3.47Å; F194-I210 HydrophobicContact CE1-CG2 4.03Å; F194-F211 HydrophobicContact CD1-CB 4.49Å; F194-A260 HydrophobicContact CE1-CB 4.11Å; F194-L263 HydrophobicContact CE2-CD2 4.49Å; F194-L263 HydrophobicContact CZ-CD2 4.31Å; F194-T264 WeakPolarHBondContact CE1-OG1 3.43Å; F194-T264 WeakPolarHBondContact CZ-OG1 3.26Å | ||
| 195 | P | 86.8 | Confident | 70.7 | Confident | 38 Ų | 38 | 89.5 Ų | 89.5 | 25% | 0.247 | 47% | 0.471 | C | S | . | . | trans | -63 | 138.6 | 176.9 | -20.8 | 32.5 | 0 | 0 | 0 | 111.9 | A212 | P195-A212 HydrophobicContact CG-CB 3.98Š| ||
| 196 | E | 71.2 | Confident | 68.8 | Low | 155 Ų | 155 | 90 Ų | 90 | 72% | 0.724 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -80.2 | -22.4 | 179.8 | -65.1 | 179.8 | -177 | 0 | 0 | 113.1 | ||
| 197 | D | 55.2 | Low | 67 | Low | 149 Ų | 149 | 92.9 Ų | 92.9 | 80% | 0.797 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -99.9 | -0.4 | -163.4 | -78.8 | -31.9 | 0 | 0 | 0 | 116 | ||
| 198 | E | 47.7 | Very low | 65.8 | Low | 141 Ų | 141 | 96.6 Ų | 96.6 | 66% | 0.659 | 52% | 0.516 | S | S | * | . | trans | -125.1 | 15.3 | -162.9 | -66.7 | -92.1 | 163.3 | 0 | 0 | 115.2 | S200 | E198-S200 PolarHBondContact O-N 2.83Š| ||
| 199 | M | 47.3 | Very low | 65.2 | Low | 154 Ų | 154 | 98.7 Ų | 98.7 | 76% | 0.759 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -78.9 | 0.9 | 169.2 | -52.9 | -167.3 | -158.8 | 0 | 0 | 113 | ||
| 200 | S | 37.4 | Very low | 65 | Low | 99 Ų | 99 | 100.9 Ų | 100.9 | 69% | 0.692 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -111.2 | 90 | -179 | 172.8 | 0 | 0 | 0 | 0 | 112 | E198 G202 | E198-S200 PolarHBondContact O-N 2.83Å; S200-G202 PolarHBondContact O-N 3.32Å |
| 201 | H | 40.4 | Very low | 64.8 | Low | 183 Ų | 183 | 100.9 Ų | 100.9 | 85% | 0.847 | 54% | 0.538 | S | S | * | . | trans | 28.7 | 84.7 | 149.9 | -71 | -65.3 | 0 | 0 | 0 | 117.4 | ||||
| 202 | G | 36 | Very low | 64.7 | Low | 70 Ų | 70 | 100.9 Ų | 100.9 | 72% | 0.722 | 54% | 0.541 | S | S | * | . | trans | -82.6 | 119.7 | 149.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | S200 G204 | S200-G202 PolarHBondContact O-N 3.32Å; G202-G204 PolarHBondContact O-N 3.46Å | ||
| 203 | E | 39.2 | Very low | 64.7 | Low | 209 Ų | 209 | 101 Ų | 101 | 98% | 0.977 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -68.3 | 80.7 | 175.1 | -54.7 | -179.8 | -143.9 | 0 | 0 | 110.3 | ||
| 204 | G | 40.2 | Very low | 64.7 | Low | 55 Ų | 55 | 103 Ų | 103 | 57% | 0.567 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -170.6 | 118 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | G202 E206 | G202-G204 PolarHBondContact O-N 3.46Å; G204-E206 PolarHBondContact O-N 3.27Å |
| 205 | E | 39.6 | Very low | 64.9 | Low | 210 Ų | 210 | 105.1 Ų | 105.1 | 98% | 0.981 | 56% | 0.557 | S | S | * | * | trans | -69.6 | 57.7 | 177.5 | -62.1 | 173.5 | 167.6 | 0 | 0 | 111.4 | ||||
| 206 | E | 47.6 | Very low | 65.3 | Low | 179 Ų | 179 | 103.9 Ų | 103.9 | 84% | 0.836 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -109.3 | 120.9 | 160.9 | -74.3 | 179.8 | 179.8 | 0 | 0 | 106 | G204 S208 | G204-E206 PolarHBondContact O-N 3.27Å; E206-S208 PolarHBondContact O-N 3.48Å |
| 207 | E | 54.1 | Low | 66.5 | Low | 169 Ų | 169 | 96.6 Ų | 96.6 | 79% | 0.79 | 52% | 0.515 | S | S | * | . | trans | -56.2 | 96.8 | -178.5 | -168 | 174.1 | 179.7 | 0 | 0 | 108.7 | D209 | E207-D209 PolarHBondContact O-N 2.82Š| ||
| 208 | S | 68.3 | Low | 68.3 | Low | 79 Ų | 79 | 95.8 Ų | 95.8 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | trans | -62.6 | 125.3 | 179.6 | 53.1 | 0 | 0 | 0 | 0 | 109 | E206 I210 | E206-S208 PolarHBondContact O-N 3.48Å; S208-I210 PolarHBondContact O-N 3.48Å | ||
| 209 | D | 83.8 | Confident | 70.4 | Confident | 78 Ų | 78 | 89.7 Ų | 89.7 | 42% | 0.417 | 48% | 0.476 | S | S | . | . | trans | -60.6 | 129.6 | 176.6 | -68 | -44.9 | 0 | 0 | 0 | 110.4 | E207 F211 M247 | E207-D209 PolarHBondContact O-N 2.82Å; D209-F211 PolarHBondContact O-N 3.05Å; D209-M247 HydrophobicContact CB-CE 4Å | ||
| 210 | I | 90.7 | Very high | 72.4 | Confident | 55 Ų | 55 | 83.5 Ų | 83.5 | 28% | 0.282 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -71.5 | -26 | -177.1 | -59.8 | -175.7 | 0 | 0 | 0 | 111 | F194 S208 N257 A260 D261 | F194-I210 HydrophobicContact CD1-CG2 4.18Å; F194-I210 WeakPolarHBondContact CD1-O 3.47Å; F194-I210 HydrophobicContact CE1-CG2 4.03Å; S208-I210 PolarHBondContact O-N 3.48Å; I210-N257 HydrophobicContact CD1-CB 3.77Å; I210-N257 HydrophobicContact CG1-CB 3.96Å; I210-N257 PolarHBondContact N-OD1 3.38Å; I210-A260 HydrophobicContact CB-CB 4.09Å; I210-A260 HydrophobicContact CG2-CB 3.91Å; I210-D261 VanDerWaalsContact CD1-OD1 3.23Å; I210-D261 WeakPolarHBondContact CD1-OD1 3.44Å; I210-D261 WeakPolarHBondContact CD1-OD2 3.41Å |
| 211 | F | 94.9 | Very high | 74.5 | Confident | 2 Ų | 2 | 83.4 Ų | 83.4 | 1% | 0.009 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -131.8 | 156.5 | 177.7 | 72.4 | -83 | 0 | 0 | 0 | 110.4 | F175 C192 H193 F194 D209 M247 L250 V255 A260 | F175-F211 HydrophobicContact CE1-CB 4.02Å; F175-F211 HydrophobicContact CE1-CD2 4.49Å; F175-F211 HydrophobicContact CE1-CG 4.32Å; F175-F211 HydrophobicContact CE2-CD2 4.37Å; F175-F211 HydrophobicContact CZ-CB 3.9Å; F175-F211 HydrophobicContact CZ-CD1 4.34Å; F175-F211 AromaticContact CZ-CD2 3.64Å; F175-F211 HydrophobicContact CZ-CD2 3.64Å; F175-F211 HydrophobicContact CZ-CE2 4.23Å; F175-F211 AromaticContact CZ-CG 3.69Å; F175-F211 HydrophobicContact CZ-CG 3.69Å; C192-F211 HydrophobicContact CB-CD2 4.02Å; H193-F211 WeakPolarHBondContact O-CA 3.32Å; F194-F211 HydrophobicContact CD1-CB 4.49Å; D209-F211 PolarHBondContact O-N 3.05Å; F211-M247 HydrophobicContact CD2-CE 4.49Å; F211-M247 HydrophobicContact CE1-CE 4.23Å; F211-M247 HydrophobicContact CE2-CE 3.94Å; F211-M247 HydrophobicContact CE2-SD 4.13Å; F211-M247 HydrophobicContact CZ-CE 3.79Å; F211-M247 HydrophobicContact CZ-SD 4.38Å; F211-L250 HydrophobicContact CE2-CD1 4.15Å; F211-L250 HydrophobicContact CZ-CD1 4.48Å; F211-V255 HydrophobicContact CZ-CG1 4.14Å; F211-A260 HydrophobicContact CD1-CB 3.66Å; F211-A260 HydrophobicContact CE1-CB 4.34Å; F211-A260 HydrophobicContact CG-CB 4.48Å |
| 212 | A | 94.7 | Very high | 75.9 | Confident | 20 Ų | 20 | 78.2 Ų | 78.2 | 17% | 0.165 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 145.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C192 H193 P195 Y243 | C192-A212 WeakPolarHBondContact CA-O 3.48Å; H193-A212 PolarHBondContact N-O 2.88Å; H193-A212 PolarHBondContact ND1-O 3.16Å; H193-A212 PolarHBondContact O-N 3.12Å; P195-A212 HydrophobicContact CG-CB 3.98Å; A212-Y243 WeakPolarHBondContact CA-OH 3.38Å |
| 213 | I | 95.9 | Very high | 77.5 | Confident | 2 Ų | 2 | 79.9 Ų | 79.9 | 1% | 0.01 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 124.4 | 172.5 | -55 | 166.8 | 0 | 0 | 0 | 107.8 | F190 V216 T235 Y243 M246 M247 L250 | F190-I213 HydrophobicContact CB-CG2 4.44Å; F190-I213 HydrophobicContact CD1-CD1 4.04Å; F190-I213 HydrophobicContact CD1-CG2 4.08Å; F190-I213 HydrophobicContact CE1-CD1 4.44Å; I213-V216 HydrophobicContact CG2-CG2 3.57Å; I213-T235 HydrophobicContact CB-CG2 4.3Å; I213-T235 HydrophobicContact CG2-CG2 3.91Å; I213-T235 WeakPolarHBondContact O-CB 3.41Å; I213-T235 PolarHBondContact O-OG1 3.44Å; I213-Y243 HydrophobicContact CB-CE2 3.96Å; I213-Y243 HydrophobicContact CD1-CE2 4.48Å; I213-Y243 HydrophobicContact CG1-CE2 4.48Å; I213-Y243 PolarHBondContact N-OH 2.79Å; I213-Y243 VanDerWaalsContact N-OH 3.13Å; I213-M246 HydrophobicContact CD1-CB 3.81Å; I213-M247 HydrophobicContact CD1-CG 4.27Å; I213-M247 HydrophobicContact CD1-SD 3.58Å; I213-M247 VanDerWaalsContact CD1-SD 3.58Å; I213-M247 HydrophobicContact CG1-SD 3.76Å; I213-L250 HydrophobicContact CD1-CD1 3.84Å; I213-L250 HydrophobicContact CG1-CD1 4.09Å |
| 214 | R | 95.5 | Very high | 78.8 | Confident | 95 Ų | 95 | 75.5 Ų | 75.5 | 36% | 0.358 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -45.4 | 177.1 | -171.5 | 175.4 | 65.4 | -171.7 | -0.3 | 112.2 | D191 T235 | D191-R214 PolarHBondContact O-N 2.74Å; D191-R214 IonicContact OD1-NH2 3.72Å; D191-R214 IonicContact OD2-CZ 3.18Å; D191-R214 IonicContact OD2-NE 2.96Å; D191-R214 PolarHBondContact OD2-NE 3.33Å; D191-R214 IonicContact OD2-NH2 2.65Å; D191-R214 PolarHBondContact OD2-NH2 2.86Å; R214-T235 PolarHBondContact O-N 2.89Å; R214-T235 PolarHBondContact O-OG1 3.02Å |
| 215 | E | 95.7 | Very high | 80.6 | Confident | 66 Ų | 66 | 78.8 Ų | 78.8 | 31% | 0.308 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 148.3 | -177.3 | -59.2 | -169.8 | 152.9 | 0 | 0 | 112 | F190 D191 T232 L233 | F190-E215 WeakPolarHBondContact CA-O 3.26Å; D191-E215 HydrophobicContact CB-CB 4.07Å; D191-E215 PolarHBondContact N-O 3.12Å; D191-E215 PolarHBondContact O-N 3.2Å; E215-T232 HydrophobicContact CB-CG2 3.65Å; E215-T232 HydrophobicContact CG-CG2 4.05Å; E215-T232 WeakPolarHBondContact OE2-CG2 3.44Å; E215-L233 CarbonylContact C-O 3.54Å; E215-L233 VanDerWaalsContact CA-O 3.28Å; E215-L233 WeakPolarHBondContact CA-O 3.38Å |
| 216 | V | 96.3 | Very high | 82.6 | Confident | 11 Ų | 11 | 74.6 Ų | 74.6 | 7% | 0.067 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 132.4 | 175.4 | -172.6 | 0 | 0 | 0 | 0 | 109.9 | L188 V189 F190 I213 L233 T235 M246 | L188-V216 HydrophobicContact CD1-CG1 3.73Å; V189-V216 CarbonylContact O-C 3.2Å; V189-V216 WeakPolarHBondContact O-CA 3.34Å; F190-V216 HydrophobicContact CD1-CB 4.45Å; F190-V216 HydrophobicContact CD1-CG1 4.04Å; F190-V216 HydrophobicContact CD1-CG2 3.64Å; F190-V216 HydrophobicContact CE1-CG1 3.96Å; F190-V216 HydrophobicContact CE1-CG2 4.02Å; I213-V216 HydrophobicContact CG2-CG2 3.57Å; V216-L233 HydrophobicContact CB-CB 4.49Å; V216-L233 PolarHBondContact N-O 2.7Å; V216-L233 WeakPolarHBondContact O-CB 3.43Å; V216-L233 PolarHBondContact O-N 3.47Å; V216-T235 HydrophobicContact CG2-CG2 4.35Å; V216-M246 HydrophobicContact CG2-SD 3.97Å |
| 217 | S | 95.1 | Very high | 84.4 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 162.3 | 178 | 73.2 | 0 | 0 | 0 | 0 | 112.4 | V189 Q219 W226 Y231 | V189-S217 PolarHBondContact N-O 3.19Å; V189-S217 PolarHBondContact O-N 3.09Å; S217-Q219 PolarHBondContact OG-NE2 3.38Å; S217-Q219 VanDerWaalsContact OG-NE2 3.1Å; S217-W226 WeakPolarHBondContact OG-CH2 3.35Å; S217-W226 WeakPolarHBondContact OG-CZ2 3.49Å; S217-Y231 WeakPolarHBondContact CB-O 3.43Å |
| 218 | F | 94.6 | Very high | 85.9 | Confident | 131 Ų | 131 | 71.2 Ų | 71.2 | 58% | 0.575 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 123.9 | 166.2 | -74.5 | -80.6 | 0 | 0 | 0 | 109.6 | H186 S187 L188 S230 | H186-F218 HydrophobicContact CB-CD1 4.48Å; S187-F218 WeakPolarHBondContact O-CA 3.29Å; L188-F218 HydrophobicContact CB-CD1 4.46Å; L188-F218 HydrophobicContact CB-CE1 4.18Å; L188-F218 HydrophobicContact CD1-CD1 4.15Å; L188-F218 HydrophobicContact CD1-CD2 4.5Å; L188-F218 HydrophobicContact CD1-CE1 3.81Å; L188-F218 HydrophobicContact CD1-CE2 4.18Å; L188-F218 HydrophobicContact CD1-CG 4.49Å; L188-F218 HydrophobicContact CD1-CZ 3.83Å; F218-S230 WeakPolarHBondContact O-CB 3.49Å; F218-S230 PolarHBondContact O-OG 3.3Å |
| 219 | Q | 92.2 | Very high | 86.9 | Confident | 14 Ų | 14 | 73.1 Ų | 73.1 | 7% | 0.065 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 142.4 | 175.6 | -63.1 | -59.7 | -24.3 | 0 | 0 | 110.3 | H186 S187 V189 S217 W226 | H186-Q219 CarbonylContact C-O 3.54Å; H186-Q219 WeakPolarHBondContact CA-O 3.27Å; H186-Q219 WeakPolarHBondContact CB-O 3.26Å; S187-Q219 PolarHBondContact N-O 2.84Å; S187-Q219 PolarHBondContact O-N 3.4Å; V189-Q219 HydrophobicContact CB-CG 4.27Å; V189-Q219 HydrophobicContact CG2-CB 3.84Å; V189-Q219 HydrophobicContact CG2-CG 3.61Å; S217-Q219 PolarHBondContact OG-NE2 3.38Å; S217-Q219 VanDerWaalsContact OG-NE2 3.1Å; Q219-W226 HydrophobicContact CG-CE3 4.03Å; Q219-W226 HydrophobicContact CG-CH2 4.31Å; Q219-W226 HydrophobicContact CG-CZ3 3.87Å; Q219-W226 VanDerWaalsContact NE2-CE2 3.25Å |
| 220 | P | 88.8 | Confident | 87.3 | Confident | 24 Ų | 24 | 70.8 Ų | 70.8 | 16% | 0.156 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 138.2 | 172.5 | 27.1 | -33.1 | 0 | 0 | 0 | 111.4 | G222 D223 K227 | P220-G222 PolarHBondContact O-N 3.12Å; P220-D223 HydrophobicContact CG-CB 4.17Å; P220-D223 WeakPolarHBondContact CG-OD2 3.34Å; P220-K227 HydrophobicContact CG-CD 4.19Å |
| 221 | E | 80.1 | Confident | 87.4 | Confident | 97 Ų | 97 | 76.7 Ų | 76.7 | 45% | 0.453 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 129.8 | 179.3 | -176 | -177.6 | 172.6 | 0 | 0 | 110.7 | T180 K185 | T180-E221 HydrophobicContact CG2-CB 4.48Å; T180-E221 HydrophobicContact CG2-CG 3.83Å; T180-E221 WeakPolarHBondContact CG2-OE2 3.22Å; K185-E221 PolarHBondContact O-N 3.42Å |
| 222 | G | 70.3 | Confident | 87.4 | Confident | 74 Ų | 74 | 78.6 Ų | 78.6 | 76% | 0.763 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.3 | -1.7 | 173 | 0 | 0 | 0 | 0 | 0 | 115.9 | P220 | P220-G222 PolarHBondContact O-N 3.12Š|
| 223 | D | 69.3 | Low | 87.3 | Confident | 105 Ų | 105 | 79.6 Ų | 79.6 | 56% | 0.561 | 41% | 0.412 | S | S | * | . | trans | -78.8 | 129.5 | 166.1 | -76.6 | -23.6 | 0 | 0 | 0 | 108.9 | P220 D225 | P220-D223 HydrophobicContact CG-CB 4.17Å; P220-D223 WeakPolarHBondContact CG-OD2 3.34Å; D223-D225 VanDerWaalsContact C-N 3.26Å | ||
| 224 | S | 67.3 | Low | 87.3 | Confident | 116 Ų | 116 | 82.7 Ų | 82.7 | 81% | 0.811 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -74.6 | -21 | 176.4 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 225 | D | 78.6 | Confident | 87.1 | Confident | 125 Ų | 125 | 78.9 Ų | 78.9 | 67% | 0.668 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -111.9 | 138.7 | -168.4 | -58.8 | -10 | 0 | 0 | 0 | 109.9 | D223 K227 | D223-D225 VanDerWaalsContact C-N 3.26Å; D225-K227 PolarHBondContact O-N 2.93Å |
| 226 | W | 80.4 | Confident | 86.8 | Confident | 121 Ų | 121 | 81.8 Ų | 81.8 | 46% | 0.458 | 43% | 0.433 | S | S | . | . | trans | -60.6 | 126.8 | 176.8 | -175.6 | -95.6 | 0 | 0 | 0 | 111.2 | V189 S217 Q219 E228 | V189-W226 HydrophobicContact CB-CZ3 4.33Å; V189-W226 HydrophobicContact CG1-CH2 4.27Å; V189-W226 HydrophobicContact CG1-CZ3 3.83Å; S217-W226 WeakPolarHBondContact OG-CH2 3.35Å; S217-W226 WeakPolarHBondContact OG-CZ2 3.49Å; Q219-W226 HydrophobicContact CG-CE3 4.03Å; Q219-W226 HydrophobicContact CG-CH2 4.31Å; Q219-W226 HydrophobicContact CG-CZ3 3.87Å; Q219-W226 VanDerWaalsContact NE2-CE2 3.25Å; W226-E228 PolarHBondContact O-N 3.04Å | ||
| 227 | K | 86.3 | Confident | 86.4 | Confident | 96 Ų | 96 | 86.9 Ų | 86.9 | 42% | 0.417 | 47% | 0.47 | S | S | . | . | trans | -86.1 | 97.8 | 177.8 | -170.2 | 173.1 | -179.6 | 177.7 | 0 | 110.3 | P220 D225 T229 S230 | P220-K227 HydrophobicContact CG-CD 4.19Å; D225-K227 PolarHBondContact O-N 2.93Å; K227-T229 WeakPolarHBondContact CE-OG1 3.32Å; K227-T229 VanDerWaalsContact CG-OG1 3.32Å; K227-T229 WeakPolarHBondContact CG-OG1 3.35Å; K227-T229 PolarHBondContact O-N 3.47Å; K227-S230 WeakPolarHBondContact O-CB 3.18Å; K227-S230 PolarHBondContact O-N 2.78Å; K227-S230 PolarHBondContact O-OG 2.96Å | ||
| 228 | E | 86.3 | Confident | 86.2 | Confident | 181 Ų | 181 | 88.6 Ų | 88.6 | 85% | 0.846 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -17.8 | 177 | -63.3 | -178.1 | 178.6 | 0 | 0 | 114.5 | W226 | W226-E228 PolarHBondContact O-N 3.04Š|
| 229 | T | 88.9 | Confident | 86.2 | Confident | 120 Ų | 120 | 87 Ų | 87 | 74% | 0.736 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -5.3 | 179.1 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | K227 | K227-T229 WeakPolarHBondContact CE-OG1 3.32Å; K227-T229 VanDerWaalsContact CG-OG1 3.32Å; K227-T229 WeakPolarHBondContact CG-OG1 3.35Å; K227-T229 PolarHBondContact O-N 3.47Å |
| 230 | S | 90.8 | Very high | 86.1 | Confident | 28 Ų | 28 | 95.1 Ų | 95.1 | 20% | 0.196 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -74.7 | 145.8 | 171.9 | -65.2 | 0 | 0 | 0 | 0 | 110.1 | F218 K227 T232 | F218-S230 WeakPolarHBondContact O-CB 3.49Å; F218-S230 PolarHBondContact O-OG 3.3Å; K227-S230 WeakPolarHBondContact O-CB 3.18Å; K227-S230 PolarHBondContact O-N 2.78Å; K227-S230 PolarHBondContact O-OG 2.96Å; S230-T232 PolarHBondContact O-N 2.73Å |
| 231 | Y | 93.4 | Very high | 86.4 | Confident | 180 Ų | 180 | 95.4 Ų | 95.4 | 71% | 0.706 | 51% | 0.51 | S | S | * | . | trans | -70.4 | 128.9 | 173.3 | 176.2 | -102.6 | 0 | 0 | 0 | 109.8 | S217 L233 | S217-Y231 WeakPolarHBondContact CB-O 3.43Å; Y231-L233 HydrophobicContact CE1-CB 4.02Å; Y231-L233 HydrophobicContact CE1-CD1 4.41Å | ||
| 232 | T | 94.3 | Very high | 87.1 | Confident | 42 Ų | 42 | 94.5 Ų | 94.5 | 26% | 0.258 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.2 | 173.9 | -56.8 | 0 | 0 | 0 | 0 | 108.9 | E215 S230 | E215-T232 HydrophobicContact CB-CG2 3.65Å; E215-T232 HydrophobicContact CG-CG2 4.05Å; E215-T232 WeakPolarHBondContact OE2-CG2 3.44Å; S230-T232 PolarHBondContact O-N 2.73Å |
| 233 | L | 94.4 | Very high | 88.2 | Confident | 40 Ų | 40 | 93.1 Ų | 93.1 | 21% | 0.209 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 121.9 | 174.2 | 178.4 | 68.1 | 0 | 0 | 0 | 108.5 | E215 V216 Y231 L238 M246 | E215-L233 CarbonylContact C-O 3.54Å; E215-L233 VanDerWaalsContact CA-O 3.28Å; E215-L233 WeakPolarHBondContact CA-O 3.38Å; V216-L233 HydrophobicContact CB-CB 4.49Å; V216-L233 PolarHBondContact N-O 2.7Å; V216-L233 WeakPolarHBondContact O-CB 3.43Å; V216-L233 PolarHBondContact O-N 3.47Å; Y231-L233 HydrophobicContact CE1-CB 4.02Å; Y231-L233 HydrophobicContact CE1-CD1 4.41Å; L233-L238 HydrophobicContact CD1-CD1 4.03Å; L233-L238 HydrophobicContact CD2-CD1 3.8Å; L233-L238 HydrophobicContact CD2-CD2 4.34Å; L233-L238 HydrophobicContact CG-CD1 4.22Å; L233-M246 HydrophobicContact CD2-CE 4.05Å |
| 234 | N | 94.4 | Very high | 89.4 | Confident | 68 Ų | 68 | 91.6 Ų | 91.6 | 36% | 0.364 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 140.6 | 167.1 | 168.3 | -72 | 0 | 0 | 0 | 109 | D236 | N234-D236 PolarHBondContact ND2-OD2 2.8Å; N234-D236 VanDerWaalsContact OD1-CB 3.23Å; N234-D236 WeakPolarHBondContact OD1-CB 3.43Å; N234-D236 PolarHBondContact OD1-N 2.87Å; N234-D236 PolarHBondContact OD1-OD2 2.67Å |
| 235 | T | 92.8 | Very high | 90.8 | Very high | 15 Ų | 15 | 92.1 Ų | 92.1 | 9% | 0.092 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -90.4 | -13.6 | -172 | 52.3 | 0 | 0 | 0 | 0 | 114.3 | I213 R214 V216 S237 L238 Y243 | I213-T235 HydrophobicContact CB-CG2 4.3Å; I213-T235 HydrophobicContact CG2-CG2 3.91Å; I213-T235 WeakPolarHBondContact O-CB 3.41Å; I213-T235 PolarHBondContact O-OG1 3.44Å; R214-T235 PolarHBondContact O-N 2.89Å; R214-T235 PolarHBondContact O-OG1 3.02Å; V216-T235 HydrophobicContact CG2-CG2 4.35Å; T235-S237 PolarHBondContact O-N 3.04Å; T235-L238 HydrophobicContact CG2-CD2 4.43Å; T235-L238 VanDerWaalsContact O-CB 3.24Å; T235-L238 WeakPolarHBondContact O-CB 3.46Å; T235-L238 PolarHBondContact O-N 3.27Å; T235-Y243 HydrophobicContact CG2-CD2 4.35Å; T235-Y243 HydrophobicContact CG2-CE2 4.41Å |
| 236 | D | 89.5 | Confident | 91.6 | Very high | 126 Ų | 126 | 87.5 Ų | 87.5 | 67% | 0.674 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.1 | -172 | -56.7 | -24.9 | 0 | 0 | 0 | 113.8 | N234 | N234-D236 PolarHBondContact ND2-OD2 2.8Å; N234-D236 VanDerWaalsContact OD1-CB 3.23Å; N234-D236 WeakPolarHBondContact OD1-CB 3.43Å; N234-D236 PolarHBondContact OD1-N 2.87Å; N234-D236 PolarHBondContact OD1-OD2 2.67Å |
| 237 | S | 86.1 | Confident | 92.3 | Very high | 119 Ų | 119 | 82.7 Ų | 82.7 | 83% | 0.832 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 20.5 | 179.1 | -59.7 | 0 | 0 | 0 | 0 | 112.6 | T235 | T235-S237 PolarHBondContact O-N 3.04Š|
| 238 | L | 90.8 | Very high | 92.8 | Very high | 39 Ų | 39 | 82.5 Ų | 82.5 | 20% | 0.204 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -74.4 | 153.1 | -179.4 | -159 | 65.1 | 0 | 0 | 0 | 111.1 | L233 T235 W240 L242 M246 | L233-L238 HydrophobicContact CD1-CD1 4.03Å; L233-L238 HydrophobicContact CD2-CD1 3.8Å; L233-L238 HydrophobicContact CD2-CD2 4.34Å; L233-L238 HydrophobicContact CG-CD1 4.22Å; T235-L238 HydrophobicContact CG2-CD2 4.43Å; T235-L238 VanDerWaalsContact O-CB 3.24Å; T235-L238 WeakPolarHBondContact O-CB 3.46Å; T235-L238 PolarHBondContact O-N 3.27Å; L238-W240 PolarHBondContact O-N 3.16Å; L238-L242 HydrophobicContact CD1-CD2 3.8Å; L238-L242 HydrophobicContact CD2-CB 4.42Å; L238-L242 HydrophobicContact CD2-CD2 4.14Å; L238-L242 HydrophobicContact CD2-CG 4.06Å; L238-L242 HydrophobicContact CG-CB 4.42Å; L238-L242 HydrophobicContact CG-CD2 4.08Å; L238-L242 HydrophobicContact CG-CG 4.35Å; L238-M246 HydrophobicContact CD2-CE 4.16Å; L238-M246 HydrophobicContact CD2-SD 4.02Å |
| 239 | D | 94.6 | Very high | 93.3 | Very high | 98 Ų | 98 | 76.1 Ų | 76.1 | 52% | 0.524 | 39% | 0.392 | S | S | . | . | trans | -63.9 | 128.4 | 168.1 | -176.9 | 77.1 | 0 | 0 | 0 | 109.6 | A241 L242 Y243 | D239-A241 VanDerWaalsContact C-N 3.27Å; D239-A241 PolarHBondContact O-N 2.88Å; D239-A241 WeakPolarHBondContact OD2-CB 3.29Å; D239-A241 PolarHBondContact OD2-N 3.49Å; D239-L242 HydrophobicContact CB-CB 4.45Å; D239-L242 WeakPolarHBondContact O-CB 3.44Å; D239-L242 PolarHBondContact O-N 2.88Å; D239-Y243 PolarHBondContact O-N 2.85Å; D239-Y243 VanDerWaalsContact O-N 3.13Å | ||
| 240 | W | 90.6 | Very high | 93.7 | Very high | 184 Ų | 184 | 70.4 Ų | 70.4 | 70% | 0.697 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -56.9 | -38.8 | -174.5 | 62.9 | -87.6 | 0 | 0 | 0 | 112.5 | L238 L242 Y243 D244 | L238-W240 PolarHBondContact O-N 3.16Å; W240-L242 VanDerWaalsContact C-N 3.29Å; W240-L242 PolarHBondContact O-N 2.84Å; W240-Y243 WeakPolarHBondContact O-CB 3.47Å; W240-Y243 PolarHBondContact O-N 3Å; W240-Y243 VanDerWaalsContact O-N 3.1Å; W240-D244 PolarHBondContact O-N 2.78Å |
| 241 | A | 94.7 | Very high | 93.9 | Very high | 29 Ų | 29 | 71.1 Ų | 71.1 | 24% | 0.24 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.6 | -30.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D239 H245 | D239-A241 VanDerWaalsContact C-N 3.27Å; D239-A241 PolarHBondContact O-N 2.88Å; D239-A241 WeakPolarHBondContact OD2-CB 3.29Å; D239-A241 PolarHBondContact OD2-N 3.49Å; A241-H245 PolarHBondContact O-CD2 2.84Å; A241-H245 PolarHBondContact O-N 2.82Å |
| 242 | L | 94.5 | Very high | 94 | Very high | 79 Ų | 79 | 68.7 Ų | 68.7 | 41% | 0.414 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -71.8 | -37 | 172.7 | 178.9 | 59.1 | 0 | 0 | 0 | 111.3 | L238 D239 W240 H245 M246 | L238-L242 HydrophobicContact CD1-CD2 3.8Å; L238-L242 HydrophobicContact CD2-CB 4.42Å; L238-L242 HydrophobicContact CD2-CD2 4.14Å; L238-L242 HydrophobicContact CD2-CG 4.06Å; L238-L242 HydrophobicContact CG-CB 4.42Å; L238-L242 HydrophobicContact CG-CD2 4.08Å; L238-L242 HydrophobicContact CG-CG 4.35Å; D239-L242 HydrophobicContact CB-CB 4.45Å; D239-L242 WeakPolarHBondContact O-CB 3.44Å; D239-L242 PolarHBondContact O-N 2.88Å; W240-L242 VanDerWaalsContact C-N 3.29Å; W240-L242 PolarHBondContact O-N 2.84Å; L242-H245 PolarHBondContact O-N 2.98Å; L242-M246 HydrophobicContact CD1-CE 4.04Å; L242-M246 HydrophobicContact CD2-CE 4.24Å; L242-M246 HydrophobicContact CG-CE 3.91Å; L242-M246 WeakPolarHBondContact O-CG 3.42Å; L242-M246 PolarHBondContact O-N 3.17Å; L242-M246 VanDerWaalsContact O-N 3.17Å |
| 243 | Y | 95.2 | Very high | 94.1 | Very high | 45 Ų | 45 | 68 Ų | 68 | 18% | 0.176 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63 | -48.2 | 175.1 | -174.9 | -90.4 | 0 | 0 | 0 | 111.4 | A212 I213 T235 D239 W240 H245 M246 M247 | A212-Y243 WeakPolarHBondContact CA-OH 3.38Å; I213-Y243 HydrophobicContact CB-CE2 3.96Å; I213-Y243 HydrophobicContact CD1-CE2 4.48Å; I213-Y243 HydrophobicContact CG1-CE2 4.48Å; I213-Y243 PolarHBondContact N-OH 2.79Å; I213-Y243 VanDerWaalsContact N-OH 3.13Å; T235-Y243 HydrophobicContact CG2-CD2 4.35Å; T235-Y243 HydrophobicContact CG2-CE2 4.41Å; D239-Y243 PolarHBondContact O-N 2.85Å; D239-Y243 VanDerWaalsContact O-N 3.13Å; W240-Y243 WeakPolarHBondContact O-CB 3.47Å; W240-Y243 PolarHBondContact O-N 3Å; W240-Y243 VanDerWaalsContact O-N 3.1Å; Y243-H245 VanDerWaalsContact C-N 3.29Å; Y243-H245 PolarHBondContact O-N 2.91Å; Y243-M246 WeakPolarHBondContact O-CA 3.35Å; Y243-M246 WeakPolarHBondContact O-CB 3.5Å; Y243-M246 PolarHBondContact O-N 3.22Å; Y243-M247 HydrophobicContact CD1-CG 4.07Å; Y243-M247 HydrophobicContact CE1-CG 3.61Å; Y243-M247 HydrophobicContact CE1-SD 4.27Å; Y243-M247 PolarHBondContact O-N 3.31Å |
| 244 | D | 93.5 | Very high | 94.1 | Very high | 72 Ų | 72 | 67 Ų | 67 | 39% | 0.385 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.4 | -45 | 177 | -66.6 | -5.3 | 0 | 0 | 0 | 111.3 | W240 M246 M247 D248 | W240-D244 PolarHBondContact O-N 2.78Å; D244-M246 VanDerWaalsContact C-N 3.26Å; D244-M246 PolarHBondContact O-N 2.84Å; D244-M247 PolarHBondContact O-N 3.04Å; D244-M247 VanDerWaalsContact O-N 3.15Å; D244-D248 PolarHBondContact O-N 2.99Å |
| 245 | H | 96.4 | Very high | 94.2 | Very high | 128 Ų | 128 | 63.8 Ų | 63.8 | 59% | 0.593 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.5 | -26 | 176.4 | -73.6 | -35 | 0 | 0 | 0 | 114.1 | A241 L242 Y243 D248 F249 | A241-H245 PolarHBondContact O-CD2 2.84Å; A241-H245 PolarHBondContact O-N 2.82Å; L242-H245 PolarHBondContact O-N 2.98Å; Y243-H245 VanDerWaalsContact C-N 3.29Å; Y243-H245 PolarHBondContact O-N 2.91Å; H245-D248 IonicContact ND1-OD2 3.12Å; H245-F249 VanDerWaalsContact O-CB 3.26Å; H245-F249 WeakPolarHBondContact O-CB 3.46Å; H245-F249 PolarHBondContact O-N 3.06Å; H245-F249 VanDerWaalsContact O-N 3.14Å |
| 246 | M | 96.3 | Very high | 94.3 | Very high | 28 Ų | 28 | 66.1 Ų | 66.1 | 14% | 0.138 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -73.7 | -40.2 | 172.1 | -69.9 | 176.3 | 178.8 | 0 | 0 | 111.2 | F190 I213 V216 L233 L238 L242 Y243 D244 F249 L250 | F190-M246 HydrophobicContact CE1-CB 4.16Å; F190-M246 HydrophobicContact CE1-CG 4.27Å; I213-M246 HydrophobicContact CD1-CB 3.81Å; V216-M246 HydrophobicContact CG2-SD 3.97Å; L233-M246 HydrophobicContact CD2-CE 4.05Å; L238-M246 HydrophobicContact CD2-CE 4.16Å; L238-M246 HydrophobicContact CD2-SD 4.02Å; L242-M246 HydrophobicContact CD1-CE 4.04Å; L242-M246 HydrophobicContact CD2-CE 4.24Å; L242-M246 HydrophobicContact CG-CE 3.91Å; L242-M246 WeakPolarHBondContact O-CG 3.42Å; L242-M246 PolarHBondContact O-N 3.17Å; L242-M246 VanDerWaalsContact O-N 3.17Å; Y243-M246 WeakPolarHBondContact O-CA 3.35Å; Y243-M246 WeakPolarHBondContact O-CB 3.5Å; Y243-M246 PolarHBondContact O-N 3.22Å; D244-M246 VanDerWaalsContact C-N 3.26Å; D244-M246 PolarHBondContact O-N 2.84Å; M246-F249 WeakPolarHBondContact O-CB 3.42Å; M246-F249 PolarHBondContact O-N 3.02Å; M246-L250 WeakPolarHBondContact O-CG 3.45Å; M246-L250 PolarHBondContact O-N 2.89Å; M246-L250 VanDerWaalsContact O-N 3.15Å |
| 247 | M | 95.7 | Very high | 94.5 | Very high | 20 Ų | 20 | 61.2 Ų | 61.2 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.3 | -47.6 | 174.5 | -67.7 | -61.8 | -76.2 | 0 | 0 | 111.4 | D209 F211 I213 Y243 D244 F249 L250 A251 | D209-M247 HydrophobicContact CB-CE 4Å; F211-M247 HydrophobicContact CD2-CE 4.49Å; F211-M247 HydrophobicContact CE1-CE 4.23Å; F211-M247 HydrophobicContact CE2-CE 3.94Å; F211-M247 HydrophobicContact CE2-SD 4.13Å; F211-M247 HydrophobicContact CZ-CE 3.79Å; F211-M247 HydrophobicContact CZ-SD 4.38Å; I213-M247 HydrophobicContact CD1-CG 4.27Å; I213-M247 HydrophobicContact CD1-SD 3.58Å; I213-M247 VanDerWaalsContact CD1-SD 3.58Å; I213-M247 HydrophobicContact CG1-SD 3.76Å; Y243-M247 HydrophobicContact CD1-CG 4.07Å; Y243-M247 HydrophobicContact CE1-CG 3.61Å; Y243-M247 HydrophobicContact CE1-SD 4.27Å; Y243-M247 PolarHBondContact O-N 3.31Å; D244-M247 PolarHBondContact O-N 3.04Å; D244-M247 VanDerWaalsContact O-N 3.15Å; M247-F249 PolarHBondContact O-N 2.89Å; M247-L250 WeakPolarHBondContact O-CB 3.46Å; M247-L250 PolarHBondContact O-N 3.35Å; M247-A251 PolarHBondContact O-N 3.49Å |
| 248 | D | 96.3 | Very high | 94.9 | Very high | 91 Ų | 91 | 59.2 Ų | 59.2 | 49% | 0.487 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -54.4 | -42.3 | 173 | -75.7 | -21.6 | 0 | 0 | 0 | 111.6 | D244 H245 L250 A251 D252 | D244-D248 PolarHBondContact O-N 2.99Å; H245-D248 IonicContact ND1-OD2 3.12Å; D248-L250 VanDerWaalsContact C-N 3.31Å; D248-L250 PolarHBondContact O-N 2.99Å; D248-A251 PolarHBondContact O-N 3.26Å; D248-D252 WeakPolarHBondContact O-CB 3.34Å; D248-D252 PolarHBondContact O-N 3.45Å |
| 249 | F | 96.7 | Very high | 95.1 | Very high | 48 Ų | 48 | 57.5 Ų | 57.5 | 21% | 0.211 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.2 | -35.5 | 179.1 | 174.1 | -86 | 0 | 0 | 0 | 112.8 | V179 L188 F190 H245 M246 M247 R253 | V179-F249 HydrophobicContact CB-CE1 4.43Å; V179-F249 HydrophobicContact CG1-CE1 4.38Å; V179-F249 HydrophobicContact CG1-CZ 4.14Å; V179-F249 HydrophobicContact CG2-CE1 4.1Å; L188-F249 HydrophobicContact CD2-CE1 4.1Å; L188-F249 HydrophobicContact CD2-CZ 4.2Å; F190-F249 HydrophobicContact CE2-CD1 4.09Å; F190-F249 AromaticContact CE2-CE1 3.84Å; F190-F249 HydrophobicContact CE2-CE1 3.84Å; F190-F249 AromaticContact CZ-CD1 3.83Å; F190-F249 HydrophobicContact CZ-CD1 3.83Å; F190-F249 AromaticContact CZ-CE1 3.95Å; F190-F249 HydrophobicContact CZ-CE1 3.95Å; H245-F249 VanDerWaalsContact O-CB 3.26Å; H245-F249 WeakPolarHBondContact O-CB 3.46Å; H245-F249 PolarHBondContact O-N 3.06Å; H245-F249 VanDerWaalsContact O-N 3.14Å; M246-F249 WeakPolarHBondContact O-CB 3.42Å; M246-F249 PolarHBondContact O-N 3.02Å; M247-F249 PolarHBondContact O-N 2.89Å; F249-R253 PolarHBondContact O-NH1 3.02Å |
| 250 | L | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73.8 | -43.4 | 174.9 | -68.4 | -179.2 | 0 | 0 | 0 | 111.2 | I177 F190 F211 I213 M246 M247 D248 D252 R253 G254 V255 | I177-L250 HydrophobicContact CB-CD2 4.49Å; I177-L250 HydrophobicContact CD1-CD1 3.61Å; I177-L250 HydrophobicContact CD1-CD2 3.73Å; I177-L250 HydrophobicContact CD1-CG 4.25Å; I177-L250 HydrophobicContact CG2-CD2 4.04Å; F190-L250 HydrophobicContact CD1-CD1 4.4Å; F190-L250 HydrophobicContact CD2-CD2 3.81Å; F190-L250 HydrophobicContact CE2-CD2 3.89Å; F190-L250 HydrophobicContact CG-CD1 4.42Å; F190-L250 HydrophobicContact CG-CD2 4.17Å; F190-L250 HydrophobicContact CZ-CD2 4.32Å; F211-L250 HydrophobicContact CE2-CD1 4.15Å; F211-L250 HydrophobicContact CZ-CD1 4.48Å; I213-L250 HydrophobicContact CD1-CD1 3.84Å; I213-L250 HydrophobicContact CG1-CD1 4.09Å; M246-L250 WeakPolarHBondContact O-CG 3.45Å; M246-L250 PolarHBondContact O-N 2.89Å; M246-L250 VanDerWaalsContact O-N 3.15Å; M247-L250 WeakPolarHBondContact O-CB 3.46Å; M247-L250 PolarHBondContact O-N 3.35Å; D248-L250 VanDerWaalsContact C-N 3.31Å; D248-L250 PolarHBondContact O-N 2.99Å; L250-D252 PolarHBondContact O-N 3.47Å; L250-R253 WeakPolarHBondContact O-CA 3.37Å; L250-R253 WeakPolarHBondContact O-CB 3.49Å; L250-R253 PolarHBondContact O-N 3.14Å; L250-G254 PolarHBondContact O-N 3.31Å; L250-V255 CarbonylContact C-O 3.55Å; L250-V255 HydrophobicContact CB-CB 4.2Å; L250-V255 PolarHBondContact O-N 2.78Å |
| 251 | A | 95.6 | Very high | 95.3 | Very high | 42 Ų | 42 | 48 Ų | 48 | 35% | 0.347 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | M247 D248 R253 G254 V255 D256 | M247-A251 PolarHBondContact O-N 3.49Å; D248-A251 PolarHBondContact O-N 3.26Å; A251-R253 PolarHBondContact O-N 2.63Å; A251-G254 WeakPolarHBondContact O-CA 3.45Å; A251-G254 PolarHBondContact O-N 3.37Å; A251-V255 WeakPolarHBondContact CA-O 3.32Å; A251-V255 PolarHBondContact N-O 3.35Å; A251-D256 HydrophobicContact CB-CB 4.33Å |
| 252 | D | 95.5 | Very high | 95.3 | Very high | 130 Ų | 130 | 48.6 Ų | 48.6 | 70% | 0.695 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -22.4 | 174.4 | -87.1 | -12.2 | 0 | 0 | 0 | 113.5 | D248 L250 | D248-D252 WeakPolarHBondContact O-CB 3.34Å; D248-D252 PolarHBondContact O-N 3.45Å; L250-D252 PolarHBondContact O-N 3.47Å |
| 253 | R | 95.3 | Very high | 95.3 | Very high | 26 Ų | 26 | 44.8 Ų | 44.8 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -2.8 | 177 | -74.9 | 164.2 | -179 | 70.5 | 8.3 | 113 | K129 E134 I136 F249 L250 A251 | K129-R253 PolarHBondContact NZ-O 3.27Å; E134-R253 VanDerWaalsContact CD-NH2 3.31Å; E134-R253 IonicContact OE1-NH2 2.82Å; E134-R253 PolarHBondContact OE1-NH2 3.4Å; E134-R253 VanDerWaalsContact OE1-NH2 3.12Å; E134-R253 IonicContact OE2-CZ 2.71Å; E134-R253 IonicContact OE2-NE 3.62Å; E134-R253 PolarHBondContact OE2-NE 2.9Å; E134-R253 IonicContact OE2-NH2 3.27Å; E134-R253 PolarHBondContact OE2-NH2 2.84Å; I136-R253 HydrophobicContact CD1-CB 4.44Å; I136-R253 HydrophobicContact CD1-CG 4.33Å; I136-R253 HydrophobicContact CG1-CB 4.11Å; I136-R253 HydrophobicContact CG1-CG 4.15Å; F249-R253 PolarHBondContact O-NH1 3.02Å; L250-R253 WeakPolarHBondContact O-CA 3.37Å; L250-R253 WeakPolarHBondContact O-CB 3.49Å; L250-R253 PolarHBondContact O-N 3.14Å; A251-R253 PolarHBondContact O-N 2.63Å |
| 254 | G | 94.1 | Very high | 95.2 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 21% | 0.206 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 32.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L250 A251 | L250-G254 PolarHBondContact O-N 3.31Å; A251-G254 WeakPolarHBondContact O-CA 3.45Å; A251-G254 PolarHBondContact O-N 3.37Å |
| 255 | V | 96.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | trans | -111 | 85.4 | 164.1 | -177.2 | 0 | 0 | 0 | 0 | 106.9 | W116 V138 F175 I177 F211 L250 A251 F259 | W116-V255 HydrophobicContact CH2-CG2 3.9Å; W116-V255 HydrophobicContact CZ2-CG2 3.92Å; V138-V255 HydrophobicContact CG2-CG2 4.32Å; F175-V255 HydrophobicContact CE2-CG1 4.45Å; I177-V255 HydrophobicContact CD1-CB 4.45Å; I177-V255 HydrophobicContact CD1-CG1 3.62Å; I177-V255 HydrophobicContact CG1-CG1 4.38Å; F211-V255 HydrophobicContact CZ-CG1 4.14Å; L250-V255 CarbonylContact C-O 3.55Å; L250-V255 HydrophobicContact CB-CB 4.2Å; L250-V255 PolarHBondContact O-N 2.78Å; A251-V255 WeakPolarHBondContact CA-O 3.32Å; A251-V255 PolarHBondContact N-O 3.35Å; V255-F259 HydrophobicContact CB-CD1 4.42Å; V255-F259 HydrophobicContact CG1-CD1 3.71Å; V255-F259 HydrophobicContact CG1-CE1 3.98Å; V255-F259 HydrophobicContact CG1-CG 4.38Å | ||
| 256 | D | 94.9 | Very high | 95.1 | Very high | 63 Ų | 63 | 40.4 Ų | 40.4 | 34% | 0.337 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -123.4 | -172.5 | -178 | 57.4 | 18.2 | 0 | 0 | 0 | 110.5 | A251 T258 F259 A260 | A251-D256 HydrophobicContact CB-CB 4.33Å; D256-T258 VanDerWaalsContact C-N 3.29Å; D256-T258 PolarHBondContact O-N 2.79Å; D256-T258 WeakPolarHBondContact OD1-CB 3.33Å; D256-T258 PolarHBondContact OD1-N 3.02Å; D256-F259 WeakPolarHBondContact O-CB 3.47Å; D256-F259 PolarHBondContact O-N 2.87Å; D256-F259 VanDerWaalsContact O-N 3.16Å; D256-F259 PolarHBondContact OD1-N 2.87Å; D256-A260 PolarHBondContact O-N 2.8Å |
| 257 | N | 93.6 | Very high | 95 | Very high | 23 Ų | 23 | 39 Ų | 39 | 12% | 0.123 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -36.7 | 178.3 | -71.3 | -28.7 | 0 | 0 | 0 | 112.4 | I210 F259 A260 D261 | I210-N257 HydrophobicContact CD1-CB 3.77Å; I210-N257 HydrophobicContact CG1-CB 3.96Å; I210-N257 PolarHBondContact N-OD1 3.38Å; N257-F259 VanDerWaalsContact C-N 3.34Å; N257-F259 PolarHBondContact O-N 2.77Å; N257-A260 WeakPolarHBondContact O-CB 3.4Å; N257-A260 PolarHBondContact O-N 2.98Å; N257-A260 VanDerWaalsContact O-N 3.12Å; N257-D261 PolarHBondContact O-N 2.82Å |
| 258 | T | 94.6 | Very high | 94.9 | Very high | 77 Ų | 77 | 39.7 Ų | 39.7 | 47% | 0.472 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 175.2 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | D256 A260 D261 E262 | D256-T258 VanDerWaalsContact C-N 3.29Å; D256-T258 PolarHBondContact O-N 2.79Å; D256-T258 WeakPolarHBondContact OD1-CB 3.33Å; D256-T258 PolarHBondContact OD1-N 3.02Å; T258-A260 VanDerWaalsContact C-N 3.32Å; T258-A260 PolarHBondContact O-N 3.42Å; T258-D261 PolarHBondContact O-N 2.81Å; T258-E262 WeakPolarHBondContact O-CG 3.04Å; T258-E262 PolarHBondContact O-N 2.76Å; T258-E262 VanDerWaalsContact O-N 3.09Å |
| 259 | F | 96 | Very high | 94.7 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -40.9 | 172.7 | 172.1 | -88.5 | 0 | 0 | 0 | 112.1 | M112 W116 L127 V138 F175 V255 D256 N257 E262 L263 | M112-F259 HydrophobicContact CE-CD2 3.52Å; M112-F259 HydrophobicContact CE-CE2 3.51Å; M112-F259 HydrophobicContact CE-CG 4.25Å; M112-F259 HydrophobicContact CE-CZ 4.21Å; W116-F259 HydrophobicContact CD2-CE2 4.25Å; W116-F259 AromaticContact CE2-CD2 3.93Å; W116-F259 AromaticContact CE2-CE2 3.71Å; W116-F259 HydrophobicContact CH2-CE2 4.41Å; W116-F259 HydrophobicContact CZ2-CD2 4.04Å; W116-F259 AromaticContact CZ2-CE2 3.82Å; W116-F259 HydrophobicContact CZ2-CE2 3.82Å; W116-F259 AromaticContact NE1-CD2 3.67Å; W116-F259 AromaticContact NE1-CE2 3.82Å; L127-F259 HydrophobicContact CD1-CE2 3.96Å; L127-F259 HydrophobicContact CD1-CZ 3.96Å; V138-F259 HydrophobicContact CB-CZ 4.07Å; V138-F259 HydrophobicContact CG1-CE1 4.3Å; V138-F259 HydrophobicContact CG1-CZ 3.94Å; V138-F259 HydrophobicContact CG2-CE1 4.42Å; V138-F259 HydrophobicContact CG2-CZ 3.82Å; F175-F259 HydrophobicContact CE2-CE1 4.31Å; V255-F259 HydrophobicContact CB-CD1 4.42Å; V255-F259 HydrophobicContact CG1-CD1 3.71Å; V255-F259 HydrophobicContact CG1-CE1 3.98Å; V255-F259 HydrophobicContact CG1-CG 4.38Å; D256-F259 WeakPolarHBondContact O-CB 3.47Å; D256-F259 PolarHBondContact O-N 2.87Å; D256-F259 VanDerWaalsContact O-N 3.16Å; D256-F259 PolarHBondContact OD1-N 2.87Å; N257-F259 VanDerWaalsContact C-N 3.34Å; N257-F259 PolarHBondContact O-N 2.77Å; F259-E262 PolarHBondContact O-N 2.83Å; F259-L263 HydrophobicContact CE1-CB 4.36Å; F259-L263 HydrophobicContact CE1-CD2 4.03Å; F259-L263 VanDerWaalsContact O-CB 3.24Å; F259-L263 WeakPolarHBondContact O-CB 3.39Å; F259-L263 PolarHBondContact O-N 3.32Å |
| 260 | A | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.9 | -39.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F194 I210 F211 D256 N257 T258 L263 T264 | F194-A260 HydrophobicContact CE1-CB 4.11Å; I210-A260 HydrophobicContact CB-CB 4.09Å; I210-A260 HydrophobicContact CG2-CB 3.91Å; F211-A260 HydrophobicContact CD1-CB 3.66Å; F211-A260 HydrophobicContact CE1-CB 4.34Å; F211-A260 HydrophobicContact CG-CB 4.48Å; D256-A260 PolarHBondContact O-N 2.8Å; N257-A260 WeakPolarHBondContact O-CB 3.4Å; N257-A260 PolarHBondContact O-N 2.98Å; N257-A260 VanDerWaalsContact O-N 3.12Å; T258-A260 VanDerWaalsContact C-N 3.32Å; T258-A260 PolarHBondContact O-N 3.42Å; A260-L263 PolarHBondContact O-N 3.14Å; A260-T264 PolarHBondContact O-N 2.91Å; A260-T264 PolarHBondContact O-OG1 2.81Å |
| 261 | D | 93.3 | Very high | 94.4 | Very high | 83 Ų | 83 | 35.9 Ų | 35.9 | 44% | 0.444 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.8 | -51.2 | 172.4 | -76 | -30.2 | 0 | 0 | 0 | 111.4 | I210 N257 T258 L263 T264 E265 | I210-D261 VanDerWaalsContact CD1-OD1 3.23Å; I210-D261 WeakPolarHBondContact CD1-OD1 3.44Å; I210-D261 WeakPolarHBondContact CD1-OD2 3.41Å; N257-D261 PolarHBondContact O-N 2.82Å; T258-D261 PolarHBondContact O-N 2.81Å; D261-L263 VanDerWaalsContact C-N 3.25Å; D261-L263 PolarHBondContact O-N 2.85Å; D261-T264 WeakPolarHBondContact O-CB 3.41Å; D261-T264 PolarHBondContact O-N 2.87Å; D261-T264 VanDerWaalsContact O-N 3.12Å; D261-E265 PolarHBondContact O-N 3.06Å |
| 262 | E | 94.9 | Very high | 94.2 | Very high | 40 Ų | 40 | 35.8 Ų | 35.8 | 19% | 0.187 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.5 | -35.2 | 178.2 | -70.7 | -179.9 | 174.4 | 0 | 0 | 112.1 | M112 S113 T258 F259 T264 E265 L266 | M112-E262 WeakPolarHBondContact CA-OE2 3.2Å; M112-E262 HydrophobicContact CE-CB 3.58Å; M112-E262 HydrophobicContact SD-CB 3.76Å; S113-E262 WeakPolarHBondContact CB-OE1 3.03Å; S113-E262 PolarHBondContact N-OE1 3.4Å; S113-E262 PolarHBondContact N-OE2 3.15Å; S113-E262 VanDerWaalsContact OG-CD 3.26Å; S113-E262 PolarHBondContact OG-OE1 3.05Å; S113-E262 PolarHBondContact OG-OE2 3.26Å; S113-E262 VanDerWaalsContact OG-OE2 3.12Å; T258-E262 WeakPolarHBondContact O-CG 3.04Å; T258-E262 PolarHBondContact O-N 2.76Å; T258-E262 VanDerWaalsContact O-N 3.09Å; F259-E262 PolarHBondContact O-N 2.83Å; E262-T264 VanDerWaalsContact C-N 3.35Å; E262-E265 PolarHBondContact O-N 3.31Å; E262-L266 VanDerWaalsContact O-CB 3.27Å; E262-L266 WeakPolarHBondContact O-CB 3.29Å; E262-L266 PolarHBondContact O-N 2.91Å |
| 263 | L | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.2 | -40.7 | 176.7 | -179.3 | 66.2 | 0 | 0 | 0 | 111 | M112 L127 F140 F175 F194 F259 A260 D261 L266 S267 | M112-L263 HydrophobicContact CE-CB 4.27Å; L127-L263 HydrophobicContact CD1-CD1 4.06Å; F140-L263 HydrophobicContact CD1-CD1 3.62Å; F140-L263 HydrophobicContact CE1-CD1 3.41Å; F140-L263 VanDerWaalsContact CE1-CD1 3.41Å; F140-L263 HydrophobicContact CE2-CD1 4.42Å; F140-L263 HydrophobicContact CG-CD1 4.21Å; F140-L263 HydrophobicContact CZ-CD1 3.83Å; F175-L263 HydrophobicContact CB-CD2 4.04Å; F175-L263 HydrophobicContact CD1-CD2 3.52Å; F175-L263 HydrophobicContact CD2-CD2 4.17Å; F175-L263 HydrophobicContact CE1-CD2 3.91Å; F175-L263 HydrophobicContact CE2-CD2 4.48Å; F175-L263 HydrophobicContact CG-CD2 3.66Å; F175-L263 HydrophobicContact CZ-CD2 4.36Å; F194-L263 HydrophobicContact CE2-CD2 4.49Å; F194-L263 HydrophobicContact CZ-CD2 4.31Å; F259-L263 HydrophobicContact CE1-CB 4.36Å; F259-L263 HydrophobicContact CE1-CD2 4.03Å; F259-L263 VanDerWaalsContact O-CB 3.24Å; F259-L263 WeakPolarHBondContact O-CB 3.39Å; F259-L263 PolarHBondContact O-N 3.32Å; A260-L263 PolarHBondContact O-N 3.14Å; D261-L263 VanDerWaalsContact C-N 3.25Å; D261-L263 PolarHBondContact O-N 2.85Å; L263-L266 PolarHBondContact O-N 2.86Å; L263-S267 VanDerWaalsContact O-CB 3.27Å; L263-S267 WeakPolarHBondContact O-CB 3.09Å; L263-S267 PolarHBondContact O-N 3.12Å |
| 264 | T | 93.3 | Very high | 93.9 | Very high | 22 Ų | 22 | 34.6 Ų | 34.6 | 14% | 0.135 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.3 | -45.2 | 177.2 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | V170 T172 F194 A260 D261 E262 L266 S267 T268 | V170-T264 HydrophobicContact CG1-CG2 3.27Å; T172-T264 HydrophobicContact CG2-CG2 4.07Å; F194-T264 WeakPolarHBondContact CE1-OG1 3.43Å; F194-T264 WeakPolarHBondContact CZ-OG1 3.26Å; A260-T264 PolarHBondContact O-N 2.91Å; A260-T264 PolarHBondContact O-OG1 2.81Å; D261-T264 WeakPolarHBondContact O-CB 3.41Å; D261-T264 PolarHBondContact O-N 2.87Å; D261-T264 VanDerWaalsContact O-N 3.12Å; E262-T264 VanDerWaalsContact C-N 3.35Å; T264-L266 PolarHBondContact O-N 2.77Å; T264-S267 PolarHBondContact O-N 2.96Å; T264-T268 VanDerWaalsContact O-CB 3.3Å; T264-T268 WeakPolarHBondContact O-CB 3.39Å; T264-T268 PolarHBondContact O-N 2.98Å; T264-T268 PolarHBondContact O-OG1 2.86Å |
| 265 | E | 92.9 | Very high | 93.9 | Very high | 129 Ų | 129 | 37.3 Ų | 37.3 | 60% | 0.603 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -61.8 | -44 | 174.1 | -69 | -171.4 | 176.5 | 0 | 0 | 112.1 | D261 E262 T268 A269 | D261-E265 PolarHBondContact O-N 3.06Å; E262-E265 PolarHBondContact O-N 3.31Å; E265-T268 PolarHBondContact O-N 2.96Å; E265-A269 WeakPolarHBondContact O-CB 3.47Å; E265-A269 PolarHBondContact O-N 2.86Å |
| 266 | L | 94.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.8 | -47.7 | 178.1 | 177 | 63.9 | 0 | 0 | 0 | 111.8 | L109 P110 M112 L118 L127 F140 E262 L263 T264 T268 A269 I270 | L109-L266 HydrophobicContact CB-CD1 4.16Å; P110-L266 HydrophobicContact CG-CB 4.08Å; P110-L266 HydrophobicContact CG-CD1 4.01Å; M112-L266 HydrophobicContact CG-CD2 3.95Å; M112-L266 HydrophobicContact SD-CB 4.06Å; M112-L266 HydrophobicContact SD-CD2 3.71Å; M112-L266 HydrophobicContact SD-CG 4.5Å; L118-L266 HydrophobicContact CD1-CD2 4.35Å; L118-L266 HydrophobicContact CD2-CD1 4.04Å; L118-L266 HydrophobicContact CD2-CD2 4.37Å; L127-L266 HydrophobicContact CD1-CD2 4.3Å; L127-L266 HydrophobicContact CD2-CD2 4.12Å; F140-L266 HydrophobicContact CE1-CD2 4.43Å; F140-L266 HydrophobicContact CZ-CD2 4.12Å; F140-L266 HydrophobicContact CZ-CG 4.34Å; E262-L266 VanDerWaalsContact O-CB 3.27Å; E262-L266 WeakPolarHBondContact O-CB 3.29Å; E262-L266 PolarHBondContact O-N 2.91Å; L263-L266 PolarHBondContact O-N 2.86Å; T264-L266 PolarHBondContact O-N 2.77Å; L266-T268 VanDerWaalsContact C-N 3.31Å; L266-T268 PolarHBondContact O-N 2.61Å; L266-A269 PolarHBondContact O-N 2.71Å; L266-I270 HydrophobicContact CD1-CD1 3.88Å; L266-I270 HydrophobicContact CD1-CG1 4.21Å; L266-I270 HydrophobicContact CD2-CD1 4.46Å; L266-I270 HydrophobicContact CG-CD1 3.83Å; L266-I270 HydrophobicContact CG-CG1 4.5Å; L266-I270 VanDerWaalsContact O-CG1 3.3Å; L266-I270 WeakPolarHBondContact O-CG1 3.33Å; L266-I270 PolarHBondContact O-N 3.36Å |
| 267 | S | 94.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 179.3 | -170.3 | 0 | 0 | 0 | 0 | 110.8 | S171 P173 L263 T264 A269 I270 E271 | S171-S267 PolarHBondContact OG-OG 2.84Å; P173-S267 VanDerWaalsContact CD-OG 3.31Å; P173-S267 WeakPolarHBondContact CD-OG 3.39Å; P173-S267 VanDerWaalsContact CG-OG 3.29Å; P173-S267 WeakPolarHBondContact CG-OG 3.49Å; L263-S267 VanDerWaalsContact O-CB 3.27Å; L263-S267 WeakPolarHBondContact O-CB 3.09Å; L263-S267 PolarHBondContact O-N 3.12Å; T264-S267 PolarHBondContact O-N 2.96Å; S267-A269 VanDerWaalsContact C-N 3.35Å; S267-A269 PolarHBondContact O-N 3.29Å; S267-I270 PolarHBondContact O-N 2.78Å; S267-I270 VanDerWaalsContact O-N 3.16Å; S267-E271 WeakPolarHBondContact O-CB 3.42Å; S267-E271 PolarHBondContact O-N 2.85Å |
| 268 | T | 93 | Very high | 93.8 | Very high | 33 Ų | 33 | 43.2 Ų | 43.2 | 20% | 0.202 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 176.8 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | I169 S171 T264 E265 L266 I270 E271 H272 | I169-T268 WeakPolarHBondContact O-CG2 3.11Å; S171-T268 PolarHBondContact N-OG1 3.17Å; T264-T268 VanDerWaalsContact O-CB 3.3Å; T264-T268 WeakPolarHBondContact O-CB 3.39Å; T264-T268 PolarHBondContact O-N 2.98Å; T264-T268 PolarHBondContact O-OG1 2.86Å; E265-T268 PolarHBondContact O-N 2.96Å; L266-T268 VanDerWaalsContact C-N 3.31Å; L266-T268 PolarHBondContact O-N 2.61Å; T268-I270 PolarHBondContact O-N 2.85Å; T268-E271 PolarHBondContact O-N 3.15Å; T268-H272 WeakPolarHBondContact O-CB 3.46Å; T268-H272 PolarHBondContact O-N 3Å |
| 269 | A | 92 | Very high | 93.8 | Very high | 21 Ų | 21 | 40 Ų | 40 | 17% | 0.174 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.9 | -34.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L109 P110 E265 L266 S267 K273 | L109-A269 HydrophobicContact CD2-CB 4.05Å; P110-A269 VanDerWaalsContact CD-CB 3.49Å; P110-A269 HydrophobicContact CG-CB 4.12Å; E265-A269 WeakPolarHBondContact O-CB 3.47Å; E265-A269 PolarHBondContact O-N 2.86Å; L266-A269 PolarHBondContact O-N 2.71Å; S267-A269 VanDerWaalsContact C-N 3.35Å; S267-A269 PolarHBondContact O-N 3.29Å; A269-K273 WeakPolarHBondContact O-CB 3.42Å; A269-K273 PolarHBondContact O-N 2.91Å |
| 270 | I | 93.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.6 | -45.1 | 176.3 | -69.1 | 170.3 | 0 | 0 | 0 | 110.7 | L109 M120 A125 F140 V142 L266 S267 T268 K273 E274 | L109-I270 HydrophobicContact CD1-CG1 4.15Å; L109-I270 HydrophobicContact CD2-CG1 3.78Å; M120-I270 HydrophobicContact CE-CB 4.25Å; M120-I270 HydrophobicContact CE-CD1 3.94Å; M120-I270 HydrophobicContact CE-CG1 3.79Å; M120-I270 HydrophobicContact CE-CG2 3.5Å; M120-I270 VanDerWaalsContact CE-CG2 3.5Å; M120-I270 HydrophobicContact SD-CD1 4.32Å; M120-I270 HydrophobicContact SD-CG1 4.4Å; A125-I270 HydrophobicContact CB-CD1 4.06Å; F140-I270 HydrophobicContact CE2-CD1 4.29Å; F140-I270 HydrophobicContact CZ-CD1 3.97Å; V142-I270 HydrophobicContact CB-CG2 4.49Å; V142-I270 HydrophobicContact CG1-CB 4.03Å; V142-I270 HydrophobicContact CG1-CG2 3.62Å; V142-I270 HydrophobicContact CG2-CG2 4.16Å; L266-I270 HydrophobicContact CD1-CD1 3.88Å; L266-I270 HydrophobicContact CD1-CG1 4.21Å; L266-I270 HydrophobicContact CD2-CD1 4.46Å; L266-I270 HydrophobicContact CG-CD1 3.83Å; L266-I270 HydrophobicContact CG-CG1 4.5Å; L266-I270 VanDerWaalsContact O-CG1 3.3Å; L266-I270 WeakPolarHBondContact O-CG1 3.33Å; L266-I270 PolarHBondContact O-N 3.36Å; S267-I270 PolarHBondContact O-N 2.78Å; S267-I270 VanDerWaalsContact O-N 3.16Å; T268-I270 PolarHBondContact O-N 2.85Å; I270-K273 PolarHBondContact O-N 2.96Å; I270-E274 PolarHBondContact O-N 3.29Å |
| 271 | E | 93.5 | Very high | 93.7 | Very high | 38 Ų | 38 | 48 Ų | 48 | 18% | 0.178 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56 | -53.9 | 177.4 | -168.7 | -70.2 | 147.8 | 0 | 0 | 109.8 | V142 I146 S267 T268 K273 E274 Y275 | V142-E271 HydrophobicContact CB-CB 4.31Å; I146-E271 HydrophobicContact CD1-CG 4.02Å; I146-E271 HydrophobicContact CG1-CG 4.46Å; S267-E271 WeakPolarHBondContact O-CB 3.42Å; S267-E271 PolarHBondContact O-N 2.85Å; T268-E271 PolarHBondContact O-N 3.15Å; E271-K273 PolarHBondContact O-N 3.29Å; E271-E274 PolarHBondContact O-N 2.92Å; E271-E274 VanDerWaalsContact O-N 3.08Å; E271-Y275 WeakPolarHBondContact O-CB 3.39Å; E271-Y275 PolarHBondContact O-N 2.59Å |
| 272 | H | 91.8 | Very high | 93.7 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 18% | 0.181 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.3 | -37.6 | -177.9 | -172.5 | -136.5 | 0 | 0 | 0 | 112.2 | E100 T268 Y275 I276 | E100-H272 PolarHBondContact O-CE1 3.06Å; E100-H272 IonicContact OE2-CD2 2.71Å; E100-H272 IonicContact OE2-CE1 2.61Å; E100-H272 IonicContact OE2-NE2 3.78Å; E100-H272 PolarHBondContact OE2-NE2 2.65Å; T268-H272 WeakPolarHBondContact O-CB 3.46Å; T268-H272 PolarHBondContact O-N 3Å; H272-Y275 PolarHBondContact O-N 3.5Å; H272-I276 WeakPolarHBondContact O-CG1 3.37Å; H272-I276 PolarHBondContact O-N 2.87Å |
| 273 | K | 92 | Very high | 93.6 | Very high | 94 Ų | 94 | 46.5 Ų | 46.5 | 41% | 0.409 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.7 | -44.8 | 176.7 | -178.4 | -173.2 | 172.8 | -166.6 | 0 | 112.4 | L109 A269 I270 E271 Y275 K277 | L109-K273 HydrophobicContact CD2-CD 4.42Å; A269-K273 WeakPolarHBondContact O-CB 3.42Å; A269-K273 PolarHBondContact O-N 2.91Å; I270-K273 PolarHBondContact O-N 2.96Å; E271-K273 PolarHBondContact O-N 3.29Å; K273-Y275 VanDerWaalsContact C-N 3.32Å; K273-K277 PolarHBondContact O-N 3.49Å |
| 274 | E | 93.3 | Very high | 93.4 | Very high | 37 Ų | 37 | 50.3 Ų | 50.3 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.8 | -30.1 | 177 | -71.2 | -62.7 | 136.9 | 0 | 0 | 111.4 | I270 E271 K277 F278 | I270-E274 PolarHBondContact O-N 3.29Å; E271-E274 PolarHBondContact O-N 2.92Å; E271-E274 VanDerWaalsContact O-N 3.08Å; E274-K277 PolarHBondContact O-N 3.47Å; E274-K277 IonicContact OE1-NZ 2.71Å; E274-K277 PolarHBondContact OE1-NZ 3.13Å; E274-K277 IonicContact OE2-NZ 3.72Å; E274-K277 PolarHBondContact OE2-NZ 2.93Å; E274-F278 WeakPolarHBondContact O-CB 3.04Å; E274-F278 PolarHBondContact O-N 3.31Å |
| 275 | Y | 93.1 | Very high | 93.3 | Very high | 78 Ų | 78 | 57 Ų | 57 | 31% | 0.306 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.1 | -49.6 | 171.8 | 178.4 | -113.3 | 0 | 0 | 0 | 112.1 | E100 E271 H272 K273 K277 F278 L279 | E100-Y275 HydrophobicContact CG-CE1 4.13Å; E271-Y275 WeakPolarHBondContact O-CB 3.39Å; E271-Y275 PolarHBondContact O-N 2.59Å; H272-Y275 PolarHBondContact O-N 3.5Å; K273-Y275 VanDerWaalsContact C-N 3.32Å; Y275-K277 VanDerWaalsContact C-N 3.28Å; Y275-K277 PolarHBondContact O-N 2.76Å; Y275-F278 WeakPolarHBondContact O-CB 3.28Å; Y275-F278 PolarHBondContact O-N 3.1Å; Y275-F278 VanDerWaalsContact O-N 3.13Å; Y275-L279 HydrophobicContact CD1-CD1 4.24Å; Y275-L279 HydrophobicContact CE1-CD1 3.64Å; Y275-L279 HydrophobicContact CE1-CG 4.24Å; Y275-L279 HydrophobicContact CE2-CD1 4.49Å; Y275-L279 HydrophobicContact CE2-CD2 4.22Å; Y275-L279 HydrophobicContact CE2-CG 4.26Å; Y275-L279 WeakPolarHBondContact O-CG 3.48Å; Y275-L279 PolarHBondContact O-N 2.91Å |
| 276 | I | 92.9 | Very high | 93.1 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 5% | 0.046 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57 | -45.1 | 175.7 | -70.3 | 167.3 | 0 | 0 | 0 | 110.8 | E100 K101 Q104 H272 F278 L279 E280 | E100-I276 HydrophobicContact CB-CD1 4.21Å; E100-I276 HydrophobicContact CB-CG1 3.83Å; K101-I276 HydrophobicContact CD-CG2 4.48Å; K101-I276 HydrophobicContact CG-CD1 4.29Å; K101-I276 HydrophobicContact CG-CG2 3.97Å; Q104-I276 HydrophobicContact CB-CD1 4.26Å; Q104-I276 HydrophobicContact CG-CD1 4.42Å; H272-I276 WeakPolarHBondContact O-CG1 3.37Å; H272-I276 PolarHBondContact O-N 2.87Å; I276-F278 VanDerWaalsContact C-N 3.35Å; I276-L279 WeakPolarHBondContact O-CB 3.35Å; I276-L279 PolarHBondContact O-N 3.18Å; I276-E280 WeakPolarHBondContact O-CG 3.45Å; I276-E280 PolarHBondContact O-N 3Å |
| 277 | K | 93.8 | Very high | 92.6 | Very high | 84 Ų | 84 | 54.1 Ų | 54.1 | 37% | 0.365 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 178.5 | -179.6 | -178.6 | 159.9 | -151 | 0 | 112 | K273 E274 Y275 L279 E280 D281 | K273-K277 PolarHBondContact O-N 3.49Å; E274-K277 PolarHBondContact O-N 3.47Å; E274-K277 IonicContact OE1-NZ 2.71Å; E274-K277 PolarHBondContact OE1-NZ 3.13Å; E274-K277 IonicContact OE2-NZ 3.72Å; E274-K277 PolarHBondContact OE2-NZ 2.93Å; Y275-K277 VanDerWaalsContact C-N 3.28Å; Y275-K277 PolarHBondContact O-N 2.76Å; K277-L279 VanDerWaalsContact C-N 3.34Å; K277-L279 PolarHBondContact O-N 2.87Å; K277-E280 WeakPolarHBondContact O-CB 3.44Å; K277-E280 PolarHBondContact O-N 3.13Å; K277-D281 PolarHBondContact O-N 3.34Å |
| 278 | F | 95.6 | Very high | 91.4 | Very high | 118 Ų | 118 | 56.5 Ų | 56.5 | 52% | 0.518 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 172.2 | 169.2 | -99.7 | 0 | 0 | 0 | 111.4 | E274 Y275 I276 E280 D281 L282 | E274-F278 WeakPolarHBondContact O-CB 3.04Å; E274-F278 PolarHBondContact O-N 3.31Å; Y275-F278 WeakPolarHBondContact O-CB 3.28Å; Y275-F278 PolarHBondContact O-N 3.1Å; Y275-F278 VanDerWaalsContact O-N 3.13Å; I276-F278 VanDerWaalsContact C-N 3.35Å; F278-E280 VanDerWaalsContact C-N 3.34Å; F278-E280 PolarHBondContact O-N 3.1Å; F278-D281 PolarHBondContact O-N 3.04Å; F278-L282 HydrophobicContact CE1-CD2 4.02Å; F278-L282 HydrophobicContact CZ-CD2 4.17Å; F278-L282 WeakPolarHBondContact O-CB 3.49Å; F278-L282 PolarHBondContact O-N 2.84Å |
| 279 | L | 95.4 | Very high | 89.8 | Confident | 9 Ų | 9 | 66.1 Ų | 66.1 | 5% | 0.047 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 175.4 | -65.6 | -179.9 | 0 | 0 | 0 | 112.1 | L93 E96 I97 E100 Y275 I276 K277 L282 Q283 | L93-L279 HydrophobicContact CD2-CD2 3.97Å; E96-L279 HydrophobicContact CG-CD1 4.05Å; I97-L279 HydrophobicContact CD1-CB 4.02Å; I97-L279 HydrophobicContact CG1-CB 3.55Å; I97-L279 HydrophobicContact CG1-CD1 4.22Å; E100-L279 HydrophobicContact CG-CD1 4.27Å; Y275-L279 HydrophobicContact CD1-CD1 4.24Å; Y275-L279 HydrophobicContact CE1-CD1 3.64Å; Y275-L279 HydrophobicContact CE1-CG 4.24Å; Y275-L279 HydrophobicContact CE2-CD1 4.49Å; Y275-L279 HydrophobicContact CE2-CD2 4.22Å; Y275-L279 HydrophobicContact CE2-CG 4.26Å; Y275-L279 WeakPolarHBondContact O-CG 3.48Å; Y275-L279 PolarHBondContact O-N 2.91Å; I276-L279 WeakPolarHBondContact O-CB 3.35Å; I276-L279 PolarHBondContact O-N 3.18Å; K277-L279 VanDerWaalsContact C-N 3.34Å; K277-L279 PolarHBondContact O-N 2.87Å; L279-L282 PolarHBondContact O-N 2.81Å; L279-Q283 VanDerWaalsContact O-CB 3.25Å; L279-Q283 WeakPolarHBondContact O-CB 3.06Å; L279-Q283 PolarHBondContact O-N 3.14Å |
| 280 | E | 94.2 | Very high | 89.7 | Confident | 72 Ų | 72 | 68.4 Ų | 68.4 | 34% | 0.336 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 174.9 | -69.9 | -179.6 | 148.8 | 0 | 0 | 112.4 | I97 K101 I276 K277 F278 L282 Q283 S284 | I97-E280 HydrophobicContact CD1-CG 4.18Å; I97-E280 HydrophobicContact CG2-CG 4.2Å; K101-E280 VanDerWaalsContact CE-OE1 3.24Å; K101-E280 WeakPolarHBondContact CE-OE1 3.46Å; K101-E280 IonicContact NZ-OE1 3.81Å; K101-E280 PolarHBondContact NZ-OE1 3.06Å; I276-E280 WeakPolarHBondContact O-CG 3.45Å; I276-E280 PolarHBondContact O-N 3Å; K277-E280 WeakPolarHBondContact O-CB 3.44Å; K277-E280 PolarHBondContact O-N 3.13Å; F278-E280 VanDerWaalsContact C-N 3.34Å; F278-E280 PolarHBondContact O-N 3.1Å; E280-L282 VanDerWaalsContact C-N 3.35Å; E280-Q283 PolarHBondContact O-N 3Å; E280-S284 WeakPolarHBondContact O-CB 3.32Å; E280-S284 PolarHBondContact O-N 3.38Å |
| 281 | D | 94.8 | Very high | 89.5 | Confident | 101 Ų | 101 | 71.9 Ų | 71.9 | 54% | 0.54 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 177.4 | -75.1 | -23 | 0 | 0 | 0 | 111 | K277 F278 S284 F285 | K277-D281 PolarHBondContact O-N 3.34Å; F278-D281 PolarHBondContact O-N 3.04Å; D281-S284 WeakPolarHBondContact O-CB 3.36Å; D281-S284 PolarHBondContact O-N 3.25Å; D281-F285 WeakPolarHBondContact O-CB 3.24Å; D281-F285 PolarHBondContact O-N 2.97Å |
| 282 | L | 94.6 | Very high | 89.2 | Confident | 43 Ų | 43 | 73.8 Ų | 73.8 | 23% | 0.225 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 175.1 | -177.5 | 60.1 | 0 | 0 | 0 | 111.5 | F89 L93 F278 L279 E280 S284 F285 V286 | F89-L282 HydrophobicContact CZ-CD2 3.9Å; F89-L282 HydrophobicContact CZ-CG 4.27Å; L93-L282 HydrophobicContact CD1-CD2 4.34Å; L93-L282 HydrophobicContact CD1-CG 4Å; L93-L282 HydrophobicContact CD2-CD2 4.06Å; F278-L282 HydrophobicContact CE1-CD2 4.02Å; F278-L282 HydrophobicContact CZ-CD2 4.17Å; F278-L282 WeakPolarHBondContact O-CB 3.49Å; F278-L282 PolarHBondContact O-N 2.84Å; L279-L282 PolarHBondContact O-N 2.81Å; E280-L282 VanDerWaalsContact C-N 3.35Å; L282-S284 VanDerWaalsContact C-N 3.35Å; L282-S284 PolarHBondContact O-N 3.41Å; L282-F285 WeakPolarHBondContact O-CB 3.48Å; L282-F285 PolarHBondContact O-N 3.04Å; L282-V286 HydrophobicContact CD1-CG2 4.36Å; L282-V286 VanDerWaalsContact O-CG2 3.28Å; L282-V286 WeakPolarHBondContact O-CG2 3.23Å; L282-V286 PolarHBondContact O-N 3.2Å |
| 283 | Q | 92.6 | Very high | 89.1 | Confident | 47 Ų | 47 | 75.8 Ų | 75.8 | 22% | 0.22 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 174.8 | -179.5 | -169.8 | 58.8 | 0 | 0 | 111.1 | L93 S94 I97 L279 E280 F285 V286 N287 | L93-Q283 HydrophobicContact CB-CB 4.16Å; L93-Q283 HydrophobicContact CB-CG 4.37Å; L93-Q283 HydrophobicContact CD1-CB 4.15Å; S94-Q283 VanDerWaalsContact CA-NE2 3.35Å; S94-Q283 PolarHBondContact OG-NE2 2.87Å; I97-Q283 HydrophobicContact CD1-CB 4.04Å; L279-Q283 VanDerWaalsContact O-CB 3.25Å; L279-Q283 WeakPolarHBondContact O-CB 3.06Å; L279-Q283 PolarHBondContact O-N 3.14Å; E280-Q283 PolarHBondContact O-N 3Å; Q283-F285 VanDerWaalsContact C-N 3.32Å; Q283-V286 PolarHBondContact O-N 3.49Å; Q283-N287 VanDerWaalsContact CG-ND2 3.29Å; Q283-N287 WeakPolarHBondContact CG-ND2 3.48Å; Q283-N287 VanDerWaalsContact O-CB 3.24Å; Q283-N287 WeakPolarHBondContact O-CB 3.1Å; Q283-N287 PolarHBondContact O-N 3.26Å; Q283-N287 PolarHBondContact O-ND2 3.29Å |
| 284 | S | 91 | Very high | 88.9 | Confident | 81 Ų | 81 | 74.7 Ų | 74.7 | 57% | 0.566 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.3 | -43.4 | 175.7 | 179.8 | 0 | 0 | 0 | 0 | 111.3 | E280 D281 L282 C288 | E280-S284 WeakPolarHBondContact O-CB 3.32Å; E280-S284 PolarHBondContact O-N 3.38Å; D281-S284 WeakPolarHBondContact O-CB 3.36Å; D281-S284 PolarHBondContact O-N 3.25Å; L282-S284 VanDerWaalsContact C-N 3.35Å; L282-S284 PolarHBondContact O-N 3.41Å; S284-C288 PolarHBondContact O-N 3.48Å |
| 285 | F | 91.1 | Very high | 88.6 | Confident | 163 Ų | 163 | 77.2 Ų | 77.2 | 72% | 0.715 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.2 | -48.1 | 177.2 | 179.5 | -97.5 | 0 | 0 | 0 | 112.4 | D281 L282 Q283 C288 | D281-F285 WeakPolarHBondContact O-CB 3.24Å; D281-F285 PolarHBondContact O-N 2.97Å; L282-F285 WeakPolarHBondContact O-CB 3.48Å; L282-F285 PolarHBondContact O-N 3.04Å; Q283-F285 VanDerWaalsContact C-N 3.32Å; F285-C288 PolarHBondContact O-N 3.21Å |
| 286 | V | 88.9 | Confident | 88.3 | Confident | 13 Ų | 13 | 77.1 Ų | 77.1 | 8% | 0.079 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.7 | -41 | -179.6 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | H82 D86 F89 L93 L282 Q283 C288 | H82-V286 PolarHBondContact CE1-O 2.94Å; H82-V286 VanDerWaalsContact CE1-O 3.24Å; D86-V286 HydrophobicContact CB-CG1 4.04Å; D86-V286 WeakPolarHBondContact O-CG1 3.38Å; F89-V286 HydrophobicContact CB-CG1 4.4Å; F89-V286 HydrophobicContact CD1-CB 4.43Å; F89-V286 HydrophobicContact CD1-CG1 4.01Å; F89-V286 HydrophobicContact CD1-CG2 3.57Å; F89-V286 HydrophobicContact CE1-CG2 3.61Å; F89-V286 HydrophobicContact CG-CG1 4.5Å; L93-V286 HydrophobicContact CD1-CG2 4.37Å; L282-V286 HydrophobicContact CD1-CG2 4.36Å; L282-V286 VanDerWaalsContact O-CG2 3.28Å; L282-V286 WeakPolarHBondContact O-CG2 3.23Å; L282-V286 PolarHBondContact O-N 3.2Å; Q283-V286 PolarHBondContact O-N 3.49Å; V286-C288 VanDerWaalsContact C-N 3.32Å; V286-C288 PolarHBondContact O-N 3.43Å |
| 287 | N | 83.6 | Confident | 87.9 | Confident | 56 Ų | 56 | 82.4 Ų | 82.4 | 30% | 0.299 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -78.6 | -16.7 | -177.9 | -75.4 | -38.9 | 0 | 0 | 0 | 113.8 | H82 Q283 K289 | H82-N287 PolarHBondContact CE1-O 3.16Å; Q283-N287 VanDerWaalsContact CG-ND2 3.29Å; Q283-N287 WeakPolarHBondContact CG-ND2 3.48Å; Q283-N287 VanDerWaalsContact O-CB 3.24Å; Q283-N287 WeakPolarHBondContact O-CB 3.1Å; Q283-N287 PolarHBondContact O-N 3.26Å; Q283-N287 PolarHBondContact O-ND2 3.29Å; N287-K289 PolarHBondContact O-N 3Å; N287-K289 VanDerWaalsContact O-N 3.11Å |
| 288 | C | 69.7 | Low | 87.5 | Confident | 50 Ų | 50 | 82.3 Ų | 82.3 | 34% | 0.338 | 41% | 0.408 | S | S | . | . | trans | 26.9 | 69.9 | 173 | -147.6 | 0 | 0 | 0 | 0 | 113.1 | C76 C78 S284 F285 V286 | C76-C288 PolarHBondContact SG-O 2.88Å; C78-C288 HydrophobicContact CB-CB 4.36Å; C78-C288 VanDerWaalsContact CB-SG 3.59Å; C78-C288 PolarHBondContact SG-O 3.01Å; S284-C288 PolarHBondContact O-N 3.48Å; F285-C288 PolarHBondContact O-N 3.21Å; V286-C288 VanDerWaalsContact C-N 3.32Å; V286-C288 PolarHBondContact O-N 3.43Å | ||
| 289 | K | 58.1 | Low | 86.7 | Confident | 234 Ų | 234 | 79 Ų | 79 | 100% | 1.017 | 40% | 0.398 | S | S | * | . | trans | -78.6 | 0 | -179.4 | -74.6 | -174.8 | 179.6 | 172 | 0 | 112.5 | N287 | N287-K289 PolarHBondContact O-N 3Å; N287-K289 VanDerWaalsContact O-N 3.11Å |
Retrieved 289 of 289 residues in 181.2 ms
(Link to these results)