| 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 | 25.4 | Very low | 29.4 | Very low | 243 Ų | 243 | 161.1 Ų | 161.1 | 100% | 1.197 | 84% | 0.84 | S | S | * | * | 0 | 146.8 | 0 | -89.4 | -171.9 | 168.7 | 0 | 0 | 108.5 | |||||
| 2 | P | 34.2 | Very low | 29.3 | Very low | 133 Ų | 133 | 163.1 Ų | 163.1 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | trans | -81.8 | 173.8 | -137.4 | 37 | -37.3 | 0 | 0 | 0 | 113.1 | ||||
| 3 | G | 32.8 | Very low | 29.1 | Very low | 74 Ų | 74 | 164.5 Ų | 164.5 | 76% | 0.763 | 84% | 0.838 | S | S | * | * | cis | -168.2 | 177.4 | 18.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 4 | T | 32.8 | Very low | 29 | Very low | 131 Ų | 131 | 163 Ų | 163 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -111.2 | 153.8 | -156.7 | -21.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 5 | R | 28.9 | Very low | 29.1 | Very low | 211 Ų | 211 | 160.7 Ų | 160.7 | 80% | 0.796 | 82% | 0.823 | S | S | * | * | trans | 69.2 | 156.3 | 153.9 | -87.4 | -177.3 | 165.4 | 173.3 | -1.2 | 116.8 | ||||
| 6 | N | 30.3 | Very low | 29.3 | Very low | 113 Ų | 113 | 161.4 Ų | 161.4 | 60% | 0.604 | 82% | 0.822 | S | S | * | * | cis | -160.8 | 140.1 | 17.4 | -116.5 | -15.7 | 0 | 0 | 0 | 108.1 | ||||
| 7 | R | 28.8 | Very low | 29.4 | Very low | 227 Ų | 227 | 159.3 Ų | 159.3 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | 43.6 | 106.7 | 100.7 | -79.6 | -174.7 | 172.3 | -174.5 | -2.3 | 115.7 | |||||
| 8 | S | 26.5 | Very low | 29.5 | Very low | 133 Ų | 133 | 164 Ų | 164 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | trans | -72.4 | 123 | 157.8 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 9 | S | 27.3 | Very low | 29.6 | Very low | 99 Ų | 99 | 165.4 Ų | 165.4 | 69% | 0.692 | 83% | 0.825 | S | S | * | * | trans | -125.6 | 141.5 | 176.3 | 175.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 10 | Y | 26.2 | Very low | 29.6 | Very low | 234 Ų | 234 | 161.1 Ų | 161.1 | 92% | 0.918 | 83% | 0.825 | S | S | * | * | trans | -30.8 | 138.4 | 169.4 | -66.8 | -93.2 | 0 | 0 | 0 | 115.3 | ||||
| 11 | Q | 30.4 | Very low | 29.6 | Very low | 174 Ų | 174 | 159.9 Ų | 159.9 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -114.1 | 115.2 | 166.3 | -162.7 | 152 | -1.6 | 0 | 0 | 110 | ||||
| 12 | Q | 28.3 | Very low | 29.8 | Very low | 185 Ų | 185 | 157 Ų | 157 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -88.1 | 138.1 | 174.4 | -171.3 | 169.8 | 11.2 | 0 | 0 | 107.9 | ||||
| 13 | F | 26.6 | Very low | 29.4 | Very low | 181 Ų | 181 | 154.4 Ų | 154.4 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -111.9 | 122.8 | 174.1 | -90.9 | -88.6 | 0 | 0 | 0 | 108.8 | ||||
| 14 | N | 27.5 | Very low | 29.1 | Very low | 144 Ų | 144 | 159 Ų | 159 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | -167.9 | 147 | 160.2 | -98.2 | 26.8 | 0 | 0 | 0 | 102.7 | ||||
| 15 | D | 31 | Very low | 28.8 | Very low | 128 Ų | 128 | 156.1 Ų | 156.1 | 68% | 0.684 | 81% | 0.805 | S | S | * | * | cis | -163.9 | -172 | -12.2 | -101.3 | -39 | 0 | 0 | 0 | 103.5 | ||||
| 16 | E | 32.3 | Very low | 28.7 | Very low | 173 Ų | 173 | 155 Ų | 155 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | 89 | 134.6 | 165.4 | -51.1 | 179.1 | -169.1 | 0 | 0 | 115.6 | ||||
| 17 | D | 30.5 | Very low | 28.5 | Very low | 125 Ų | 125 | 154.9 Ų | 154.9 | 67% | 0.668 | 82% | 0.817 | S | S | * | * | cis | -173.8 | 162.1 | -8.5 | -100.9 | -29 | 0 | 0 | 0 | 104.8 | ||||
| 18 | Y | 30.7 | Very low | 28.6 | Very low | 244 Ų | 244 | 152.9 Ų | 152.9 | 96% | 0.957 | 82% | 0.817 | S | S | * | * | trans | -174.4 | 120.9 | 133.9 | -93 | -64.8 | 0 | 0 | 0 | 110.8 | ||||
| 19 | E | 32.7 | Very low | 28.7 | Very low | 191 Ų | 191 | 153.9 Ų | 153.9 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -66.3 | 151.4 | 178.1 | -55.9 | -176.9 | 142 | 0 | 0 | 113.7 | ||||
| 20 | G | 28.3 | Very low | 28.6 | Very low | 79 Ų | 79 | 153.8 Ų | 153.8 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | 129.5 | 151.7 | 94 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 21 | D | 30.9 | Very low | 28.9 | Very low | 136 Ų | 136 | 150.6 Ų | 150.6 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | cis | -168.6 | 152 | 17.9 | -171.7 | 26.8 | 0 | 0 | 0 | 110.8 | ||||
| 22 | E | 29.5 | Very low | 28.9 | Very low | 181 Ų | 181 | 148.7 Ų | 148.7 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | 39.1 | 138 | 153.1 | -81.2 | 170.7 | -163.9 | 0 | 0 | 126.9 | ||||
| 23 | G | 25.5 | Very low | 28.9 | Very low | 80 Ų | 80 | 148 Ų | 148 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | 167.8 | 84.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 24 | N | 26.8 | Very low | 29.3 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | trans | -57.3 | 148.7 | -177.5 | -165.7 | 16 | 0 | 0 | 0 | 116.2 | ||||
| 25 | G | 24.7 | Very low | 29.4 | Very low | 72 Ų | 72 | 146.2 Ų | 146.2 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | 172.7 | 89.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 26 | Q | 27.2 | Very low | 29.4 | Very low | 186 Ų | 186 | 149.3 Ų | 149.3 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | -70.3 | 128.7 | 179.2 | -172.9 | 175.3 | 0.2 | 0 | 0 | 113.2 | ||||
| 27 | S | 26.7 | Very low | 29.4 | Very low | 112 Ų | 112 | 149.6 Ų | 149.6 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | trans | -162.7 | 117 | 149.2 | 48.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 28 | Q | 31.4 | Very low | 29.3 | Very low | 185 Ų | 185 | 150 Ų | 150 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | trans | -54 | 131.8 | 160.9 | -71.3 | 161 | -56.4 | 0 | 0 | 109.4 | ||||
| 29 | D | 27.1 | Very low | 29.3 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | trans | -154.5 | 161.3 | 140 | -138 | -13.2 | 0 | 0 | 0 | 112 | ||||
| 30 | S | 25.7 | Very low | 29.2 | Very low | 97 Ų | 97 | 141.3 Ų | 141.3 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | trans | -98.6 | 144.8 | -133.2 | -45.6 | 0 | 0 | 0 | 0 | 111.8 | D32 | S30-D32 PolarHBondContact O-N 3.28Š| ||
| 31 | I | 33.9 | Very low | 29.3 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -75.6 | 110.5 | 166.1 | -66.8 | 167.2 | 0 | 0 | 0 | 106.7 | ||||
| 32 | D | 29.3 | Very low | 29.2 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | trans | -164.4 | 114.6 | 150.7 | -95.8 | -27.6 | 0 | 0 | 0 | 108.3 | S30 | S30-D32 PolarHBondContact O-N 3.28Š| ||
| 33 | D | 29 | Very low | 29 | Very low | 171 Ų | 171 | 143.5 Ų | 143.5 | 91% | 0.914 | 82% | 0.822 | S | S | * | * | trans | -155.5 | 100.7 | 148.2 | -97.2 | -27.9 | 0 | 0 | 0 | 107.7 | ||||
| 34 | V | 34.5 | Very low | 29.1 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | trans | -72.4 | 132.2 | 175.9 | 169.6 | 0 | 0 | 0 | 0 | 108.6 | E36 | V34-E36 PolarHBondContact O-N 2.81Å; V34-E36 VanDerWaalsContact O-N 3.16Å | ||
| 35 | D | 29.6 | Very low | 29 | Very low | 160 Ų | 160 | 143 Ų | 143 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | trans | -55.7 | 112.9 | 170.1 | -76.5 | -53.4 | 0 | 0 | 0 | 110.6 | E37 | D35-E37 PolarHBondContact O-N 2.98Š| ||
| 36 | E | 30.4 | Very low | 29.1 | Very low | 193 Ų | 193 | 147.1 Ų | 147.1 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | -82.7 | 96.3 | 170.3 | -159.4 | 175.8 | -157.7 | 0 | 0 | 108.8 | V34 | V34-E36 PolarHBondContact O-N 2.81Å; V34-E36 VanDerWaalsContact O-N 3.16Å | ||
| 37 | E | 31.8 | Very low | 29.2 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | trans | -83.9 | 116.3 | 172.3 | -151.5 | 174.1 | -155.2 | 0 | 0 | 109.5 | D35 | D35-E37 PolarHBondContact O-N 2.98Š| ||
| 38 | T | 29.8 | Very low | 29.4 | Very low | 135 Ų | 135 | 149.8 Ų | 149.8 | 83% | 0.828 | 82% | 0.824 | S | S | * | * | trans | -46.3 | 126.5 | 177 | 44.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 39 | V | 29.7 | Very low | 29.4 | Very low | 129 Ų | 129 | 147.6 Ų | 147.6 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | trans | -119.9 | 138.9 | 162.1 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 40 | P | 30.7 | Very low | 29.6 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | -75.4 | 147.5 | -174.5 | -3.3 | 20.6 | 0 | 0 | 0 | 112.4 | E42 | P40-E42 PolarHBondContact O-N 3Š| ||
| 41 | V | 31.2 | Very low | 29.8 | Very low | 138 Ų | 138 | 149.1 Ų | 149.1 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -65.6 | 120 | 174.8 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 42 | E | 28.4 | Very low | 29.7 | Very low | 190 Ų | 190 | 148.1 Ų | 148.1 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -118.6 | 130 | 153.3 | -84.5 | -171.9 | 166 | 0 | 0 | 110 | P40 | P40-E42 PolarHBondContact O-N 3Š| ||
| 43 | S | 26.3 | Very low | 29.8 | Very low | 114 Ų | 114 | 150.7 Ų | 150.7 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -69.1 | 126.1 | -171.9 | 179.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 44 | N | 26.1 | Very low | 30.1 | Very low | 164 Ų | 164 | 154.4 Ų | 154.4 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -104.3 | 107.8 | 167.9 | -98.9 | -11.7 | 0 | 0 | 0 | 110.1 | ||||
| 45 | G | 25.4 | Very low | 30.1 | Very low | 75 Ų | 75 | 151.5 Ų | 151.5 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -90.2 | 127.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 46 | N | 27.4 | Very low | 30.7 | Very low | 158 Ų | 158 | 151.8 Ų | 151.8 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -63.5 | 147.4 | 176.8 | -66.6 | -30.4 | 0 | 0 | 0 | 113.3 | ||||
| 47 | V | 28.6 | Very low | 31.3 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | -162.4 | 141 | 124.9 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 48 | R | 31.2 | Very low | 32.3 | Very low | 208 Ų | 208 | 144.5 Ų | 144.5 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -46.6 | 141.6 | 179.3 | -90.5 | 177.3 | 164.6 | -174.7 | -7.1 | 118.9 | ||||
| 49 | Q | 31 | Very low | 33.3 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | 77.8 | 126.4 | 99.1 | -135.3 | -167.8 | -41.1 | 0 | 0 | 112 | |||||
| 50 | E | 31.1 | Very low | 34.5 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | cis | -162.1 | 152.7 | 48.3 | -81.7 | 172 | 163.1 | 0 | 0 | 113.3 | ||||
| 51 | D | 31.2 | Very low | 35.7 | Very low | 136 Ų | 136 | 152.4 Ų | 152.4 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | 67.4 | 119.5 | 141.1 | -66.2 | -4.9 | 0 | 0 | 0 | 126.9 | ||||
| 52 | D | 31.5 | Very low | 36.6 | Very low | 145 Ų | 145 | 154 Ų | 154 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | 64.5 | 109.4 | 133.3 | -75.3 | -15.5 | 0 | 0 | 0 | 122.4 | ||||
| 53 | M | 31.7 | Very low | 38.3 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 93% | 0.926 | 77% | 0.772 | S | S | * | * | -166.9 | 118.9 | 110.7 | -97.9 | -139.8 | -156.3 | 0 | 0 | 112.6 | |||||
| 54 | R | 35.6 | Very low | 40.1 | Very low | 249 Ų | 249 | 149.4 Ų | 149.4 | 94% | 0.94 | 77% | 0.765 | S | S | * | * | trans | 15.3 | 108.3 | 143.8 | -94.9 | 174 | 168.7 | -162.5 | -2 | 117.8 | ||||
| 55 | G | 33.3 | Very low | 42.3 | Very low | 66 Ų | 66 | 145.9 Ų | 145.9 | 68% | 0.68 | 75% | 0.749 | S | S | * | * | trans | -160.1 | 73.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111 | S57 | G55-S57 PolarHBondContact O-N 2.73Š| ||
| 56 | N | 42.6 | Very low | 44.6 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 89% | 0.888 | 74% | 0.738 | S | S | * | * | trans | -58.9 | 105 | 178.1 | -162.5 | 46.9 | 0 | 0 | 0 | 110.4 | ||||
| 57 | S | 43.6 | Very low | 47.1 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | trans | -147.5 | 105.8 | 167.9 | 45.9 | 0 | 0 | 0 | 0 | 112.8 | G55 | G55-S57 PolarHBondContact O-N 2.73Š| ||
| 58 | P | 52 | Low | 49.8 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 70% | 0.695 | 71% | 0.714 | S | S | * | * | trans | -118 | 151.9 | 144.6 | 34.5 | -23.1 | 0 | 0 | 0 | 110.5 | ||||
| 59 | P | 51.2 | Low | 52.4 | Low | 87 Ų | 87 | 139 Ų | 139 | 57% | 0.565 | 70% | 0.701 | S | S | * | * | cis | -131.5 | 117 | 17.2 | 34.4 | -14 | 0 | 0 | 0 | 114 | R61 F62 | P59-R61 PolarHBondContact O-N 3.16Å; P59-F62 HydrophobicContact CB-CD2 4.14Å; P59-F62 HydrophobicContact CG-CD2 4.28Å | ||
| 60 | R | 55.3 | Low | 55.1 | Low | 239 Ų | 239 | 136.8 Ų | 136.8 | 90% | 0.902 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 13.1 | 164.4 | -104.7 | -177.5 | 178.5 | -177.8 | 0.4 | 114 | ||
| 61 | R | 54.3 | Low | 57.9 | Low | 226 Ų | 226 | 135.6 Ų | 135.6 | 85% | 0.853 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -14.9 | 178.2 | -74.7 | -174 | 179.8 | 177.6 | 0.2 | 114.6 | P59 | P59-R61 PolarHBondContact O-N 3.16Š|
| 62 | F | 51.3 | Low | 60.6 | Low | 172 Ų | 172 | 132.6 Ų | 132.6 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -86.4 | -11.5 | 179.7 | -94.4 | -86.8 | 0 | 0 | 0 | 114.9 | P59 | P59-F62 HydrophobicContact CB-CD2 4.14Å; P59-F62 HydrophobicContact CG-CD2 4.28Å |
| 63 | S | 63 | Low | 63.5 | Low | 60 Ų | 60 | 129.3 Ų | 129.3 | 42% | 0.42 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -91 | -22.1 | 179.7 | 67.8 | 0 | 0 | 0 | 0 | 114.4 | M67 | S63-M67 WeakPolarHBondContact O-CB 3.15Å; S63-M67 PolarHBondContact O-N 2.98Å |
| 64 | K | 65.1 | Low | 66.5 | Low | 147 Ų | 147 | 124.6 Ų | 124.6 | 64% | 0.639 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.3 | -40.4 | -178.5 | -87.5 | -174.3 | 176.7 | -179.1 | 0 | 112.6 | K68 | K64-K68 VanDerWaalsContact O-CB 3.31Å; K64-K68 WeakPolarHBondContact O-CB 3.46Å; K64-K68 WeakPolarHBondContact O-CG 3.38Å; K64-K68 PolarHBondContact O-N 3.25Å |
| 65 | T | 72.4 | Confident | 69.2 | Low | 89 Ų | 89 | 115.7 Ų | 115.7 | 55% | 0.546 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -73.3 | -40.5 | 180 | -46.9 | 0 | 0 | 0 | 0 | 111.4 | K68 N69 | T65-K68 PolarHBondContact O-N 3.38Å; T65-N69 WeakPolarHBondContact O-CB 3.49Å; T65-N69 PolarHBondContact O-N 2.91Å; T65-N69 PolarHBondContact O-OD1 3Å |
| 66 | C | 72.4 | Confident | 72.1 | Confident | 80 Ų | 80 | 116.8 Ų | 116.8 | 54% | 0.541 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.6 | -45.2 | 173.2 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | K68 N69 V70 | C66-K68 PolarHBondContact O-N 3.1Å; C66-N69 PolarHBondContact O-N 3.39Å; C66-V70 VanDerWaalsContact O-CG2 3.29Å; C66-V70 WeakPolarHBondContact O-CG2 3.22Å; C66-V70 PolarHBondContact O-N 3.25Å |
| 67 | M | 81.1 | Confident | 74.6 | Confident | 127 Ų | 127 | 114.8 Ų | 114.8 | 63% | 0.626 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.5 | -38.4 | 177.2 | -170.1 | -175.7 | -61.2 | 0 | 0 | 112.6 | S63 F71 | S63-M67 WeakPolarHBondContact O-CB 3.15Å; S63-M67 PolarHBondContact O-N 2.98Å; M67-F71 VanDerWaalsContact O-CB 3.28Å; M67-F71 WeakPolarHBondContact O-CB 3.36Å; M67-F71 PolarHBondContact O-N 3.26Å |
| 68 | K | 85.3 | Confident | 77 | Confident | 141 Ų | 141 | 113.2 Ų | 113.2 | 61% | 0.613 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62 | -46.7 | 171.7 | -79.9 | 177 | 177.9 | -171.3 | 0 | 111.3 | K64 T65 C66 V70 F71 T72 | K64-K68 VanDerWaalsContact O-CB 3.31Å; K64-K68 WeakPolarHBondContact O-CB 3.46Å; K64-K68 WeakPolarHBondContact O-CG 3.38Å; K64-K68 PolarHBondContact O-N 3.25Å; T65-K68 PolarHBondContact O-N 3.38Å; C66-K68 PolarHBondContact O-N 3.1Å; K68-V70 PolarHBondContact O-N 2.78Å; K68-F71 PolarHBondContact O-N 3.45Å; K68-T72 WeakPolarHBondContact O-CB 3.11Å; K68-T72 PolarHBondContact O-N 2.81Å; K68-T72 PolarHBondContact O-OG1 2.78Å |
| 69 | N | 84.8 | Confident | 78.9 | Confident | 96 Ų | 96 | 115.2 Ų | 115.2 | 51% | 0.513 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.5 | -42.8 | 178.9 | -68.7 | -5.5 | 0 | 0 | 0 | 111.8 | T65 C66 F71 T72 V73 | T65-N69 WeakPolarHBondContact O-CB 3.49Å; T65-N69 PolarHBondContact O-N 2.91Å; T65-N69 PolarHBondContact O-OD1 3Å; C66-N69 PolarHBondContact O-N 3.39Å; N69-F71 VanDerWaalsContact C-N 3.34Å; N69-F71 PolarHBondContact O-N 3.3Å; N69-T72 PolarHBondContact O-N 3.43Å; N69-V73 WeakPolarHBondContact O-CB 3.28Å; N69-V73 VanDerWaalsContact O-CG2 3.27Å; N69-V73 WeakPolarHBondContact O-CG2 3.07Å; N69-V73 PolarHBondContact O-N 3.22Å |
| 70 | V | 88.1 | Confident | 80.9 | Confident | 92 Ų | 92 | 116.1 Ų | 116.1 | 56% | 0.558 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.1 | -43 | 174.6 | 172 | 0 | 0 | 0 | 0 | 110.8 | C66 K68 V73 L74 | C66-V70 VanDerWaalsContact O-CG2 3.29Å; C66-V70 WeakPolarHBondContact O-CG2 3.22Å; C66-V70 PolarHBondContact O-N 3.25Å; K68-V70 PolarHBondContact O-N 2.78Å; V70-V73 PolarHBondContact O-N 3.4Å; V70-L74 VanDerWaalsContact O-CB 3.32Å; V70-L74 WeakPolarHBondContact O-CB 3.33Å; V70-L74 PolarHBondContact O-N 2.91Å |
| 71 | F | 89.1 | Confident | 82.8 | Confident | 122 Ų | 122 | 109 Ų | 109 | 54% | 0.535 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 176.9 | -162.9 | -101.3 | 0 | 0 | 0 | 112 | M67 K68 N69 L74 L75 | M67-F71 VanDerWaalsContact O-CB 3.28Å; M67-F71 WeakPolarHBondContact O-CB 3.36Å; M67-F71 PolarHBondContact O-N 3.26Å; K68-F71 PolarHBondContact O-N 3.45Å; N69-F71 VanDerWaalsContact C-N 3.34Å; N69-F71 PolarHBondContact O-N 3.3Å; F71-L74 PolarHBondContact O-N 3.33Å; F71-L75 HydrophobicContact CD1-CD1 3.66Å; F71-L75 HydrophobicContact CD1-CG 4.03Å; F71-L75 HydrophobicContact CE1-CD1 3.6Å; F71-L75 HydrophobicContact CE1-CD2 4.2Å; F71-L75 HydrophobicContact CE1-CG 3.93Å; F71-L75 WeakPolarHBondContact O-CB 3.42Å; F71-L75 VanDerWaalsContact O-CG 3.25Å; F71-L75 WeakPolarHBondContact O-CG 3.35Å; F71-L75 PolarHBondContact O-N 3.01Å |
| 72 | T | 89.7 | Confident | 84.8 | Confident | 74 Ų | 74 | 103.2 Ų | 103.2 | 45% | 0.454 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 173.9 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | K68 N69 L75 I76 | K68-T72 WeakPolarHBondContact O-CB 3.11Å; K68-T72 PolarHBondContact O-N 2.81Å; K68-T72 PolarHBondContact O-OG1 2.78Å; N69-T72 PolarHBondContact O-N 3.43Å; T72-L75 PolarHBondContact O-N 3.39Å; T72-I76 HydrophobicContact CG2-CD1 4.19Å; T72-I76 VanDerWaalsContact O-CG1 3.28Å; T72-I76 WeakPolarHBondContact O-CG1 3.41Å; T72-I76 PolarHBondContact O-N 3.38Å |
| 73 | V | 92.6 | Very high | 86.7 | Confident | 75 Ų | 75 | 97.8 Ų | 97.8 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 175.9 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | N69 V70 L75 I76 F77 | N69-V73 WeakPolarHBondContact O-CB 3.28Å; N69-V73 VanDerWaalsContact O-CG2 3.27Å; N69-V73 WeakPolarHBondContact O-CG2 3.07Å; N69-V73 PolarHBondContact O-N 3.22Å; V70-V73 PolarHBondContact O-N 3.4Å; V73-L75 PolarHBondContact O-N 2.73Å; V73-I76 WeakPolarHBondContact O-CB 3.35Å; V73-I76 PolarHBondContact O-N 3.37Å; V73-F77 HydrophobicContact CG1-CD2 3.76Å; V73-F77 HydrophobicContact CG1-CE2 3.49Å; V73-F77 VanDerWaalsContact CG1-CE2 3.49Å; V73-F77 WeakPolarHBondContact O-CD2 3.36Å; V73-F77 PolarHBondContact O-N 3.17Å |
| 74 | L | 93.2 | Very high | 88.1 | Confident | 90 Ų | 90 | 97.7 Ų | 97.7 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 175.7 | -177.6 | 67.8 | 0 | 0 | 0 | 111.8 | V70 F71 I76 F77 I78 | V70-L74 VanDerWaalsContact O-CB 3.32Å; V70-L74 WeakPolarHBondContact O-CB 3.33Å; V70-L74 PolarHBondContact O-N 2.91Å; F71-L74 PolarHBondContact O-N 3.33Å; L74-I76 VanDerWaalsContact C-N 3.34Å; L74-I76 PolarHBondContact O-N 3.35Å; L74-F77 PolarHBondContact O-N 3.37Å; L74-I78 HydrophobicContact CG-CD1 4.05Å; L74-I78 WeakPolarHBondContact O-CG1 3.32Å; L74-I78 PolarHBondContact O-N 2.75Å |
| 75 | L | 93.1 | Very high | 89.5 | Confident | 61 Ų | 61 | 94.3 Ų | 94.3 | 32% | 0.319 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 175.5 | -74.9 | 174.6 | 0 | 0 | 0 | 111.3 | F71 T72 V73 F77 I78 Y79 | F71-L75 HydrophobicContact CD1-CD1 3.66Å; F71-L75 HydrophobicContact CD1-CG 4.03Å; F71-L75 HydrophobicContact CE1-CD1 3.6Å; F71-L75 HydrophobicContact CE1-CD2 4.2Å; F71-L75 HydrophobicContact CE1-CG 3.93Å; F71-L75 WeakPolarHBondContact O-CB 3.42Å; F71-L75 VanDerWaalsContact O-CG 3.25Å; F71-L75 WeakPolarHBondContact O-CG 3.35Å; F71-L75 PolarHBondContact O-N 3.01Å; T72-L75 PolarHBondContact O-N 3.39Å; V73-L75 PolarHBondContact O-N 2.73Å; L75-F77 VanDerWaalsContact C-N 3.32Å; L75-F77 PolarHBondContact O-N 2.72Å; L75-I78 PolarHBondContact O-N 2.88Å; L75-Y79 HydrophobicContact CB-CD2 4.43Å; L75-Y79 HydrophobicContact CB-CE2 4.32Å; L75-Y79 WeakPolarHBondContact O-CD2 3.37Å; L75-Y79 PolarHBondContact O-N 3.5Å |
| 76 | I | 94.3 | Very high | 90.5 | Very high | 90 Ų | 90 | 91.9 Ų | 91.9 | 46% | 0.462 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.3 | -47.3 | 175.2 | -68.9 | 163.6 | 0 | 0 | 0 | 110.3 | T72 V73 L74 I78 Y79 L80 | T72-I76 HydrophobicContact CG2-CD1 4.19Å; T72-I76 VanDerWaalsContact O-CG1 3.28Å; T72-I76 WeakPolarHBondContact O-CG1 3.41Å; T72-I76 PolarHBondContact O-N 3.38Å; V73-I76 WeakPolarHBondContact O-CB 3.35Å; V73-I76 PolarHBondContact O-N 3.37Å; L74-I76 VanDerWaalsContact C-N 3.34Å; L74-I76 PolarHBondContact O-N 3.35Å; I76-I78 PolarHBondContact O-N 2.88Å; I76-Y79 PolarHBondContact O-N 2.88Å; I76-L80 HydrophobicContact CG2-CD1 4.07Å; I76-L80 HydrophobicContact CG2-CG 4.34Å; I76-L80 WeakPolarHBondContact O-CG 2.93Å; I76-L80 PolarHBondContact O-N 3.26Å |
| 77 | F | 93.9 | Very high | 91.5 | Very high | 124 Ų | 124 | 88.7 Ų | 88.7 | 54% | 0.544 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 176.7 | -79.5 | -67.1 | 0 | 0 | 0 | 112.6 | V73 L74 L75 Y79 L80 V81 | V73-F77 HydrophobicContact CG1-CD2 3.76Å; V73-F77 HydrophobicContact CG1-CE2 3.49Å; V73-F77 VanDerWaalsContact CG1-CE2 3.49Å; V73-F77 WeakPolarHBondContact O-CD2 3.36Å; V73-F77 PolarHBondContact O-N 3.17Å; L74-F77 PolarHBondContact O-N 3.37Å; L75-F77 VanDerWaalsContact C-N 3.32Å; L75-F77 PolarHBondContact O-N 2.72Å; F77-Y79 VanDerWaalsContact C-N 3.32Å; F77-Y79 PolarHBondContact O-N 3.03Å; F77-L80 PolarHBondContact O-N 3.4Å; F77-V81 VanDerWaalsContact O-CG2 3.31Å; F77-V81 WeakPolarHBondContact O-CG2 3.34Å; F77-V81 PolarHBondContact O-N 2.74Å |
| 78 | I | 95.1 | Very high | 92 | Very high | 79 Ų | 79 | 88.1 Ų | 88.1 | 41% | 0.405 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 175.8 | -68.9 | 166.5 | 0 | 0 | 0 | 110.3 | L74 L75 I76 V81 L82 | L74-I78 HydrophobicContact CG-CD1 4.05Å; L74-I78 WeakPolarHBondContact O-CG1 3.32Å; L74-I78 PolarHBondContact O-N 2.75Å; L75-I78 PolarHBondContact O-N 2.88Å; I76-I78 PolarHBondContact O-N 2.88Å; I78-V81 PolarHBondContact O-N 2.89Å; I78-L82 HydrophobicContact CG2-CD1 3.85Å; I78-L82 HydrophobicContact CG2-CG 4.37Å; I78-L82 WeakPolarHBondContact O-CB 3.48Å; I78-L82 VanDerWaalsContact O-CG 3.28Å; I78-L82 WeakPolarHBondContact O-CG 2.8Å; I78-L82 PolarHBondContact O-N 2.85Å |
| 79 | Y | 92.2 | Very high | 92.4 | Very high | 149 Ų | 149 | 86 Ų | 86 | 58% | 0.584 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.9 | -39.1 | 177.1 | -77.1 | -63.4 | 0 | 0 | 0 | 112.9 | L75 I76 F77 L82 T83 | L75-Y79 HydrophobicContact CB-CD2 4.43Å; L75-Y79 HydrophobicContact CB-CE2 4.32Å; L75-Y79 WeakPolarHBondContact O-CD2 3.37Å; L75-Y79 PolarHBondContact O-N 3.5Å; I76-Y79 PolarHBondContact O-N 2.88Å; F77-Y79 VanDerWaalsContact C-N 3.32Å; F77-Y79 PolarHBondContact O-N 3.03Å; Y79-L82 PolarHBondContact O-N 2.88Å; Y79-T83 WeakPolarHBondContact O-CB 3.2Å; Y79-T83 PolarHBondContact O-N 2.96Å; Y79-T83 PolarHBondContact O-OG1 2.94Å |
| 80 | L | 93.4 | Very high | 92.8 | Very high | 105 Ų | 105 | 82.7 Ų | 82.7 | 55% | 0.55 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 175 | -72.2 | 176.6 | 0 | 0 | 0 | 111.4 | I76 F77 T83 A84 | I76-L80 HydrophobicContact CG2-CD1 4.07Å; I76-L80 HydrophobicContact CG2-CG 4.34Å; I76-L80 WeakPolarHBondContact O-CG 2.93Å; I76-L80 PolarHBondContact O-N 3.26Å; F77-L80 PolarHBondContact O-N 3.4Å; L80-T83 PolarHBondContact O-N 3.22Å; L80-A84 WeakPolarHBondContact O-CB 3.33Å; L80-A84 PolarHBondContact O-N 3.4Å |
| 81 | V | 95.3 | Very high | 92.9 | Very high | 91 Ų | 91 | 80 Ų | 80 | 55% | 0.552 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.7 | -47.1 | 177 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | F77 I78 T83 A84 V85 | F77-V81 VanDerWaalsContact O-CG2 3.31Å; F77-V81 WeakPolarHBondContact O-CG2 3.34Å; F77-V81 PolarHBondContact O-N 2.74Å; I78-V81 PolarHBondContact O-N 2.89Å; V81-T83 VanDerWaalsContact C-N 3.28Å; V81-T83 PolarHBondContact O-N 3.29Å; V81-A84 PolarHBondContact O-N 2.84Å; V81-V85 HydrophobicContact CG1-CG2 4.44Å; V81-V85 WeakPolarHBondContact O-CG2 3.27Å; V81-V85 PolarHBondContact O-N 3.43Å |
| 82 | L | 94.8 | Very high | 92.9 | Very high | 104 Ų | 104 | 78.1 Ų | 78.1 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.4 | -41 | 176.7 | -73.9 | 170.5 | 0 | 0 | 0 | 111.8 | I78 Y79 V85 A86 | I78-L82 HydrophobicContact CG2-CD1 3.85Å; I78-L82 HydrophobicContact CG2-CG 4.37Å; I78-L82 WeakPolarHBondContact O-CB 3.48Å; I78-L82 VanDerWaalsContact O-CG 3.28Å; I78-L82 WeakPolarHBondContact O-CG 2.8Å; I78-L82 PolarHBondContact O-N 2.85Å; Y79-L82 PolarHBondContact O-N 2.88Å; L82-V85 PolarHBondContact O-N 2.87Å; L82-A86 WeakPolarHBondContact O-CB 3.27Å; L82-A86 PolarHBondContact O-N 2.83Å |
| 83 | T | 91.4 | Very high | 92.9 | Very high | 58 Ų | 58 | 79.2 Ų | 79.2 | 36% | 0.356 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 176.7 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | Y79 L80 V81 V85 A86 I87 | Y79-T83 WeakPolarHBondContact O-CB 3.2Å; Y79-T83 PolarHBondContact O-N 2.96Å; Y79-T83 PolarHBondContact O-OG1 2.94Å; L80-T83 PolarHBondContact O-N 3.22Å; V81-T83 VanDerWaalsContact C-N 3.28Å; V81-T83 PolarHBondContact O-N 3.29Å; T83-V85 PolarHBondContact O-N 3.34Å; T83-A86 PolarHBondContact O-N 3.08Å; T83-I87 HydrophobicContact CG2-CD1 3.84Å; T83-I87 WeakPolarHBondContact O-CG1 3.48Å; T83-I87 PolarHBondContact O-N 3.45Å |
| 84 | A | 92.4 | Very high | 92.7 | Very high | 58 Ų | 58 | 79 Ų | 79 | 48% | 0.479 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L80 V81 I87 F88 | L80-A84 WeakPolarHBondContact O-CB 3.33Å; L80-A84 PolarHBondContact O-N 3.4Å; V81-A84 PolarHBondContact O-N 2.84Å; A84-I87 PolarHBondContact O-N 3.49Å; A84-F88 VanDerWaalsContact O-CB 3.24Å; A84-F88 WeakPolarHBondContact O-CB 3.37Å; A84-F88 PolarHBondContact O-N 2.85Å |
| 85 | V | 95 | Very high | 92.3 | Very high | 75 Ų | 75 | 75.5 Ų | 75.5 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 175.6 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | V81 L82 T83 F88 L89 | V81-V85 HydrophobicContact CG1-CG2 4.44Å; V81-V85 WeakPolarHBondContact O-CG2 3.27Å; V81-V85 PolarHBondContact O-N 3.43Å; L82-V85 PolarHBondContact O-N 2.87Å; T83-V85 PolarHBondContact O-N 3.34Å; V85-F88 PolarHBondContact O-N 3.47Å; V85-L89 HydrophobicContact CG1-CD1 4.13Å; V85-L89 HydrophobicContact CG1-CG 4.47Å; V85-L89 WeakPolarHBondContact O-CG 3.37Å; V85-L89 PolarHBondContact O-N 2.88Å |
| 86 | A | 93.5 | Very high | 91.8 | Very high | 39 Ų | 39 | 77 Ų | 77 | 32% | 0.322 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L82 T83 F88 L89 A90 F319 | L82-A86 WeakPolarHBondContact O-CB 3.27Å; L82-A86 PolarHBondContact O-N 2.83Å; T83-A86 PolarHBondContact O-N 3.08Å; A86-F88 VanDerWaalsContact C-N 3.33Å; A86-L89 PolarHBondContact O-N 2.96Å; A86-A90 WeakPolarHBondContact O-CB 3.46Å; A86-A90 PolarHBondContact O-N 2.86Å; A86-F319 HydrophobicContact CB-CE1 4.38Å; A86-F319 HydrophobicContact CB-CZ 4.32Å |
| 87 | I | 93.1 | Very high | 91.4 | Very high | 13 Ų | 13 | 79 Ų | 79 | 7% | 0.067 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 176.6 | -68.5 | 164 | 0 | 0 | 0 | 110.7 | T83 A84 A90 Y91 I312 L315 C316 F319 | T83-I87 HydrophobicContact CG2-CD1 3.84Å; T83-I87 WeakPolarHBondContact O-CG1 3.48Å; T83-I87 PolarHBondContact O-N 3.45Å; A84-I87 PolarHBondContact O-N 3.49Å; I87-A90 PolarHBondContact O-N 3.46Å; I87-Y91 WeakPolarHBondContact O-CB 3.3Å; I87-Y91 PolarHBondContact O-N 2.96Å; I87-I312 HydrophobicContact CG2-CG2 4.1Å; I87-L315 HydrophobicContact CG2-CB 3.95Å; I87-L315 HydrophobicContact CG2-CD1 4.08Å; I87-C316 VanDerWaalsContact CD1-SG 3.55Å; I87-F319 HydrophobicContact CG1-CD2 3.83Å; I87-F319 HydrophobicContact CG1-CE2 4Å |
| 88 | F | 92.4 | Very high | 90.8 | Very high | 115 Ų | 115 | 74.7 Ų | 74.7 | 50% | 0.504 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 177.6 | 179.2 | -100.9 | 0 | 0 | 0 | 112 | A84 V85 A86 A90 Y91 Q92 | A84-F88 VanDerWaalsContact O-CB 3.24Å; A84-F88 WeakPolarHBondContact O-CB 3.37Å; A84-F88 PolarHBondContact O-N 2.85Å; V85-F88 PolarHBondContact O-N 3.47Å; A86-F88 VanDerWaalsContact C-N 3.33Å; F88-A90 PolarHBondContact O-N 2.69Å; F88-Y91 PolarHBondContact O-N 2.97Å; F88-Q92 HydrophobicContact CD1-CG 4.44Å; F88-Q92 VanDerWaalsContact CE1-CD 3.46Å; F88-Q92 HydrophobicContact CE1-CG 4.13Å; F88-Q92 HydrophobicContact CZ-CG 4.19Å; F88-Q92 WeakPolarHBondContact O-CG 3.35Å; F88-Q92 PolarHBondContact O-N 2.86Å |
| 89 | L | 93.4 | Very high | 89.9 | Confident | 96 Ų | 96 | 73.4 Ų | 73.4 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 176 | -70.6 | 174 | 0 | 0 | 0 | 112.1 | V85 A86 Q92 T93 | V85-L89 HydrophobicContact CG1-CD1 4.13Å; V85-L89 HydrophobicContact CG1-CG 4.47Å; V85-L89 WeakPolarHBondContact O-CG 3.37Å; V85-L89 PolarHBondContact O-N 2.88Å; A86-L89 PolarHBondContact O-N 2.96Å; L89-Q92 PolarHBondContact O-N 2.75Å; L89-T93 WeakPolarHBondContact O-CB 3.41Å; L89-T93 PolarHBondContact O-N 3.35Å; L89-T93 PolarHBondContact O-OG1 3.17Å |
| 90 | A | 92.3 | Very high | 89.3 | Confident | 26 Ų | 26 | 73.9 Ų | 73.9 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A86 I87 F88 T93 I94 L315 F319 | A86-A90 WeakPolarHBondContact O-CB 3.46Å; A86-A90 PolarHBondContact O-N 2.86Å; I87-A90 PolarHBondContact O-N 3.46Å; F88-A90 PolarHBondContact O-N 2.69Å; A90-T93 PolarHBondContact O-N 2.9Å; A90-I94 VanDerWaalsContact O-CG1 3.32Å; A90-I94 WeakPolarHBondContact O-CG1 3.27Å; A90-I94 PolarHBondContact O-N 3.41Å; A90-L315 HydrophobicContact CB-CD1 4.28Å; A90-L315 HydrophobicContact CB-CD2 4.31Å; A90-F319 HydrophobicContact CB-CE2 4.34Å |
| 91 | Y | 90.6 | Very high | 88.6 | Confident | 35 Ų | 35 | 72.5 Ų | 72.5 | 14% | 0.137 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 176.2 | 174.1 | -94.5 | 0 | 0 | 0 | 111.9 | I87 F88 T93 I94 S95 V304 P308 I312 | I87-Y91 WeakPolarHBondContact O-CB 3.3Å; I87-Y91 PolarHBondContact O-N 2.96Å; F88-Y91 PolarHBondContact O-N 2.97Å; Y91-T93 VanDerWaalsContact C-N 3.33Å; Y91-T93 PolarHBondContact O-N 2.91Å; Y91-I94 PolarHBondContact O-N 2.91Å; Y91-S95 WeakPolarHBondContact O-CB 3.45Å; Y91-S95 PolarHBondContact O-N 3.34Å; Y91-V304 HydrophobicContact CD2-CG1 4.17Å; Y91-V304 HydrophobicContact CE2-CG1 3.54Å; Y91-V304 PolarHBondContact OH-O 3.04Å; Y91-P308 HydrophobicContact CE2-CB 4.28Å; Y91-I312 HydrophobicContact CD2-CG1 4.41Å |
| 92 | Q | 89.6 | Confident | 87.6 | Confident | 83 Ų | 83 | 74.1 Ų | 74.1 | 39% | 0.388 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 175.6 | -75.9 | -166.6 | -17.4 | 0 | 0 | 111.6 | F88 L89 I94 S95 D96 | F88-Q92 HydrophobicContact CD1-CG 4.44Å; F88-Q92 VanDerWaalsContact CE1-CD 3.46Å; F88-Q92 HydrophobicContact CE1-CG 4.13Å; F88-Q92 HydrophobicContact CZ-CG 4.19Å; F88-Q92 WeakPolarHBondContact O-CG 3.35Å; F88-Q92 PolarHBondContact O-N 2.86Å; L89-Q92 PolarHBondContact O-N 2.75Å; Q92-I94 VanDerWaalsContact C-N 3.32Å; Q92-I94 PolarHBondContact O-N 2.84Å; Q92-S95 PolarHBondContact O-N 3Å; Q92-D96 WeakPolarHBondContact O-CB 3.16Å; Q92-D96 PolarHBondContact O-N 2.77Å |
| 93 | T | 89.9 | Confident | 86.8 | Confident | 97 Ų | 97 | 77.7 Ų | 77.7 | 60% | 0.595 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.3 | -42.2 | 178.5 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | L89 A90 Y91 F97 | L89-T93 WeakPolarHBondContact O-CB 3.41Å; L89-T93 PolarHBondContact O-N 3.35Å; L89-T93 PolarHBondContact O-OG1 3.17Å; A90-T93 PolarHBondContact O-N 2.9Å; Y91-T93 VanDerWaalsContact C-N 3.33Å; Y91-T93 PolarHBondContact O-N 2.91Å; T93-F97 WeakPolarHBondContact O-CB 3.43Å; T93-F97 PolarHBondContact O-N 3.08Å |
| 94 | I | 87.4 | Confident | 86.4 | Confident | 70 Ų | 70 | 76.6 Ų | 76.6 | 36% | 0.359 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.3 | -46 | 176.4 | -68.2 | 165 | 0 | 0 | 0 | 110.5 | A90 Y91 Q92 D96 F97 L98 V304 L315 | A90-I94 VanDerWaalsContact O-CG1 3.32Å; A90-I94 WeakPolarHBondContact O-CG1 3.27Å; A90-I94 PolarHBondContact O-N 3.41Å; Y91-I94 PolarHBondContact O-N 2.91Å; Q92-I94 VanDerWaalsContact C-N 3.32Å; Q92-I94 PolarHBondContact O-N 2.84Å; I94-D96 VanDerWaalsContact C-N 3.33Å; I94-D96 PolarHBondContact O-N 2.71Å; I94-F97 PolarHBondContact O-N 2.83Å; I94-L98 HydrophobicContact CG2-CD1 3.98Å; I94-L98 HydrophobicContact CG2-CG 4.37Å; I94-L98 WeakPolarHBondContact O-CG 3.36Å; I94-L98 PolarHBondContact O-N 2.96Å; I94-V304 HydrophobicContact CG2-CG1 4.36Å; I94-V304 HydrophobicContact CG2-CG2 4.48Å; I94-L315 HydrophobicContact CD1-CD1 4.37Å; I94-L315 HydrophobicContact CD1-CD2 3.91Å |
| 95 | S | 84.3 | Confident | 85.9 | Confident | 17 Ų | 17 | 79.1 Ų | 79.1 | 12% | 0.119 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 177.8 | -174.7 | 0 | 0 | 0 | 0 | 111.2 | Y91 Q92 F97 L98 N99 | Y91-S95 WeakPolarHBondContact O-CB 3.45Å; Y91-S95 PolarHBondContact O-N 3.34Å; Q92-S95 PolarHBondContact O-N 3Å; S95-F97 VanDerWaalsContact C-N 3.34Å; S95-F97 PolarHBondContact O-N 2.68Å; S95-L98 PolarHBondContact O-N 3.47Å; S95-N99 WeakPolarHBondContact O-CB 3.45Å; S95-N99 PolarHBondContact O-N 3.38Å; S95-N99 PolarHBondContact O-ND2 2.97Å |
| 96 | D | 84.1 | Confident | 85.4 | Confident | 94 Ų | 94 | 78.3 Ų | 78.3 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 178.6 | -75.5 | -14 | 0 | 0 | 0 | 112.9 | Q92 I94 K100 | Q92-D96 WeakPolarHBondContact O-CB 3.16Å; Q92-D96 PolarHBondContact O-N 2.77Å; I94-D96 VanDerWaalsContact C-N 3.33Å; I94-D96 PolarHBondContact O-N 2.71Å; D96-K100 WeakPolarHBondContact O-CG 3.38Å; D96-K100 PolarHBondContact O-N 3.25Å |
| 97 | F | 84.8 | Confident | 85.1 | Confident | 131 Ų | 131 | 78.2 Ų | 78.2 | 58% | 0.575 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.7 | -47 | 172.7 | 178.9 | -97.9 | 0 | 0 | 0 | 111.5 | T93 I94 S95 N99 K100 L101 | T93-F97 WeakPolarHBondContact O-CB 3.43Å; T93-F97 PolarHBondContact O-N 3.08Å; I94-F97 PolarHBondContact O-N 2.83Å; S95-F97 VanDerWaalsContact C-N 3.34Å; S95-F97 PolarHBondContact O-N 2.68Å; F97-N99 VanDerWaalsContact C-N 3.26Å; F97-N99 PolarHBondContact O-N 2.71Å; F97-K100 WeakPolarHBondContact O-CB 3.27Å; F97-K100 PolarHBondContact O-N 2.94Å; F97-L101 HydrophobicContact CE1-CD1 4.17Å; F97-L101 HydrophobicContact CE1-CD2 4.23Å; F97-L101 HydrophobicContact CE1-CG 4.35Å; F97-L101 HydrophobicContact CZ-CD2 4.24Å; F97-L101 PolarHBondContact O-N 3.05Å |
| 98 | L | 81.3 | Confident | 84.9 | Confident | 34 Ų | 34 | 80.8 Ų | 80.8 | 18% | 0.178 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.9 | -34.7 | 178 | -70.7 | 176 | 0 | 0 | 0 | 112.1 | I94 S95 K100 L101 V304 | I94-L98 HydrophobicContact CG2-CD1 3.98Å; I94-L98 HydrophobicContact CG2-CG 4.37Å; I94-L98 WeakPolarHBondContact O-CG 3.36Å; I94-L98 PolarHBondContact O-N 2.96Å; S95-L98 PolarHBondContact O-N 3.47Å; L98-K100 PolarHBondContact O-N 2.81Å; L98-L101 HydrophobicContact CD2-CD1 3.69Å; L98-L101 PolarHBondContact O-N 2.76Å; L98-V304 HydrophobicContact CD1-CB 3.71Å; L98-V304 HydrophobicContact CD1-CG1 4.37Å; L98-V304 HydrophobicContact CD1-CG2 3.31Å |
| 99 | N | 76.2 | Confident | 84.8 | Confident | 52 Ų | 52 | 77.5 Ų | 77.5 | 28% | 0.278 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.6 | 173.1 | -75.8 | -28.9 | 0 | 0 | 0 | 113.7 | S95 F97 R256 L302 | S95-N99 WeakPolarHBondContact O-CB 3.45Å; S95-N99 PolarHBondContact O-N 3.38Å; S95-N99 PolarHBondContact O-ND2 2.97Å; F97-N99 VanDerWaalsContact C-N 3.26Å; F97-N99 PolarHBondContact O-N 2.71Å; N99-R256 PolarHBondContact O-NE 3.46Å; N99-L302 WeakPolarHBondContact OD1-CD1 3.41Å |
| 100 | K | 79.9 | Confident | 84.8 | Confident | 158 Ų | 158 | 79.9 Ų | 79.9 | 69% | 0.687 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -12.9 | 176.7 | -70.6 | 174.2 | -178.1 | 177 | 0 | 113.2 | D96 F97 L98 | D96-K100 WeakPolarHBondContact O-CG 3.38Å; D96-K100 PolarHBondContact O-N 3.25Å; F97-K100 WeakPolarHBondContact O-CB 3.27Å; F97-K100 PolarHBondContact O-N 2.94Å; L98-K100 PolarHBondContact O-N 2.81Å |
| 101 | L | 79.9 | Confident | 84.8 | Confident | 77 Ų | 77 | 84.1 Ų | 84.1 | 40% | 0.403 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -73.3 | 143.5 | 175.4 | -63.5 | 175.7 | 0 | 0 | 0 | 110.4 | F97 L98 P104 | F97-L101 HydrophobicContact CE1-CD1 4.17Å; F97-L101 HydrophobicContact CE1-CD2 4.23Å; F97-L101 HydrophobicContact CE1-CG 4.35Å; F97-L101 HydrophobicContact CZ-CD2 4.24Å; F97-L101 PolarHBondContact O-N 3.05Å; L98-L101 HydrophobicContact CD2-CD1 3.69Å; L98-L101 PolarHBondContact O-N 2.76Å; L101-P104 HydrophobicContact CB-CB 4.48Å |
| 102 | S | 73.6 | Confident | 84.9 | Confident | 124 Ų | 124 | 88.3 Ų | 88.3 | 87% | 0.867 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -72.7 | -34.9 | -177.5 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 103 | Q | 78.3 | Confident | 85 | Confident | 179 Ų | 179 | 85.5 Ų | 85.5 | 84% | 0.836 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -140.2 | 71.5 | -177.3 | -67.5 | 179 | -11.8 | 0 | 0 | 110.3 | ||
| 104 | P | 82 | Confident | 84.9 | Confident | 35 Ų | 35 | 85.8 Ų | 85.8 | 23% | 0.227 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 151.8 | 176.2 | 30.4 | -33.8 | 0 | 0 | 0 | 111 | L101 M106 L302 | L101-P104 HydrophobicContact CB-CB 4.48Å; P104-M106 HydrophobicContact CG-SD 4.4Å; P104-M106 PolarHBondContact O-N 2.03Å; P104-L302 HydrophobicContact CB-CD2 3.37Å; P104-L302 HydrophobicContact CG-CD2 3.17Å |
| 105 | V | 82.7 | Confident | 85.1 | Confident | 111 Ų | 111 | 86 Ų | 86 | 67% | 0.673 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 126.7 | 173 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | I303 | V105-I303 PolarHBondContact O-N 3.36Š|
| 106 | M | 84.4 | Confident | 85.6 | Confident | 59 Ų | 59 | 85.4 Ų | 85.4 | 29% | 0.291 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 145.8 | 179.9 | -55.7 | -67 | -84.6 | 0 | 0 | 110.5 | P104 T253 S254 I300 R301 L302 | P104-M106 HydrophobicContact CG-SD 4.4Å; P104-M106 PolarHBondContact O-N 2.03Å; M106-T253 HydrophobicContact CE-CG2 4.27Å; M106-S254 WeakPolarHBondContact CE-O 3.44Å; M106-I300 HydrophobicContact CB-CG2 3.45Å; M106-I300 VanDerWaalsContact CB-CG2 3.45Å; M106-I300 HydrophobicContact CE-CG2 3.99Å; M106-I300 HydrophobicContact CG-CG2 3.95Å; M106-R301 CarbonylContact C-O 3.42Å; M106-R301 VanDerWaalsContact CA-O 3.3Å; M106-R301 WeakPolarHBondContact CA-O 3.45Å; M106-R301 VanDerWaalsContact CE-C 3.44Å; M106-L302 HydrophobicContact CE-CG 4.49Å; M106-L302 HydrophobicContact SD-CB 4.38Å; M106-L302 HydrophobicContact SD-CD2 3.47Å; M106-L302 WeakPolarHBondContact SD-CD2 3.1Å; M106-L302 HydrophobicContact SD-CG 3.88Å |
| 107 | S | 86.9 | Confident | 86.1 | Confident | 37 Ų | 37 | 84.1 Ų | 84.1 | 26% | 0.259 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 148 | 168.2 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | I300 R301 | S107-I300 WeakPolarHBondContact O-CA 3.45Å; S107-R301 PolarHBondContact N-O 2.88Å; S107-R301 PolarHBondContact O-N 3.24Å |
| 108 | V | 89.6 | Confident | 86.6 | Confident | 67 Ų | 67 | 79.3 Ų | 79.3 | 41% | 0.406 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 134.5 | 173.6 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | Y110 Q298 I300 | V108-Y110 HydrophobicContact CG1-CE2 3.95Å; V108-Q298 HydrophobicContact CG1-CG 3.55Å; V108-I300 HydrophobicContact CG2-CG1 4.42Å |
| 109 | S | 90.5 | Very high | 87.3 | Confident | 45 Ų | 45 | 77.7 Ų | 77.7 | 32% | 0.315 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 147.4 | 171.3 | 56.2 | 0 | 0 | 0 | 0 | 109.5 | Q298 E299 | S109-Q298 CarbonylContact O-C 3.57Å; S109-E299 PolarHBondContact N-O 3.41Å; S109-E299 PolarHBondContact O-N 3.43Å; S109-E299 WeakPolarHBondContact OG-CB 3.44Å; S109-E299 PolarHBondContact OG-O 2.95Å |
| 110 | Y | 92.4 | Very high | 88.3 | Confident | 146 Ų | 146 | 75.2 Ų | 75.2 | 57% | 0.573 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125 | 177.6 | -65.6 | -84 | 0 | 0 | 0 | 108.4 | V108 Q298 | V108-Y110 HydrophobicContact CG1-CE2 3.95Å; Y110-Q298 HydrophobicContact CD1-CB 4.3Å; Y110-Q298 HydrophobicContact CD1-CG 4.46Å; Y110-Q298 HydrophobicContact CE1-CB 4.06Å; Y110-Q298 HydrophobicContact CE1-CG 3.94Å |
| 111 | K | 92.4 | Very high | 89.2 | Confident | 116 Ų | 116 | 67.7 Ų | 67.7 | 50% | 0.504 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 115.5 | 176.3 | -177.4 | -179.5 | 177.7 | -177.3 | 0 | 108.9 | Y296 I297 E299 | K111-Y296 WeakPolarHBondContact O-CA 3.48Å; K111-I297 PolarHBondContact N-O 3.16Å; K111-I297 PolarHBondContact O-N 2.99Å; K111-E299 WeakPolarHBondContact CD-OE1 3.39Å |
| 112 | E | 93.4 | Very high | 90 | Very high | 122 Ų | 122 | 64 Ų | 64 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 137.6 | 173.1 | -164.7 | 175.7 | 179.6 | 0 | 0 | 110.2 | P295 Y296 | E112-P295 CarbonylContact C-O 3.6Å; E112-P295 WeakPolarHBondContact CA-O 3.21Å; E112-P295 HydrophobicContact CG-CB 4.42Å; E112-P295 HydrophobicContact CG-CG 4.49Å; E112-Y296 HydrophobicContact CB-CD1 3.91Å; E112-Y296 HydrophobicContact CB-CE1 3.78Å; E112-Y296 HydrophobicContact CG-CD1 4.3Å; E112-Y296 HydrophobicContact CG-CE1 3.96Å |
| 113 | V | 91.9 | Very high | 91.1 | Very high | 24 Ų | 24 | 58.1 Ų | 58.1 | 15% | 0.145 | 31% | 0.312 | C | S | . | . | trans | -130.3 | 140.6 | 175.9 | -66.5 | 0 | 0 | 0 | 0 | 110.4 | F116 P295 I297 | V113-F116 HydrophobicContact CG2-CD1 4.3Å; V113-F116 HydrophobicContact CG2-CD2 3.72Å; V113-F116 HydrophobicContact CG2-CE1 3.96Å; V113-F116 HydrophobicContact CG2-CE2 3.29Å; V113-F116 HydrophobicContact CG2-CG 4.2Å; V113-F116 HydrophobicContact CG2-CZ 3.44Å; V113-F116 VanDerWaalsContact CG2-CZ 3.44Å; V113-P295 WeakPolarHBondContact CG2-O 3.33Å; V113-P295 PolarHBondContact N-O 3.44Å; V113-I297 HydrophobicContact CB-CD1 4.49Å; V113-I297 HydrophobicContact CG1-CD1 3.57Å; V113-I297 HydrophobicContact CG1-CG1 3.97Å; V113-I297 HydrophobicContact CG2-CD1 4.17Å; V113-I297 HydrophobicContact CG2-CG1 4Å | ||
| 114 | D | 86.9 | Confident | 91.9 | Very high | 104 Ų | 104 | 50.1 Ų | 50.1 | 56% | 0.556 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -73.7 | -34.4 | 178.9 | -66.6 | -42.8 | 0 | 0 | 0 | 111.9 | K184 | D114-K184 WeakPolarHBondContact OD1-CE 3.29Å; D114-K184 IonicContact OD1-NZ 2.72Å; D114-K184 PolarHBondContact OD1-NZ 2.67Å |
| 115 | S | 92.4 | Very high | 92.3 | Very high | 73 Ų | 73 | 48.7 Ų | 48.7 | 51% | 0.51 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -149 | 150.7 | 174.8 | 61.8 | 0 | 0 | 0 | 0 | 110.5 | S181 | S115-S181 WeakPolarHBondContact CA-O 3.12Š|
| 116 | F | 93.9 | Very high | 92.5 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -94.1 | 149.8 | 173.5 | -72.5 | -105.3 | 0 | 0 | 0 | 109.8 | V113 S181 V183 L250 W292 I297 | V113-F116 HydrophobicContact CG2-CD1 4.3Å; V113-F116 HydrophobicContact CG2-CD2 3.72Å; V113-F116 HydrophobicContact CG2-CE1 3.96Å; V113-F116 HydrophobicContact CG2-CE2 3.29Å; V113-F116 HydrophobicContact CG2-CG 4.2Å; V113-F116 HydrophobicContact CG2-CZ 3.44Å; V113-F116 VanDerWaalsContact CG2-CZ 3.44Å; F116-S181 PolarHBondContact N-O 2.86Å; F116-S181 WeakPolarHBondContact O-CB 3.09Å; F116-S181 PolarHBondContact O-OG 2.87Å; F116-V183 HydrophobicContact CD2-CG2 3.34Å; F116-V183 HydrophobicContact CE2-CG2 3.42Å; F116-V183 VanDerWaalsContact CE2-CG2 3.42Å; F116-L250 HydrophobicContact CD1-CB 4.41Å; F116-L250 HydrophobicContact CD1-CD2 4.3Å; F116-L250 HydrophobicContact CE1-CB 3.98Å; F116-L250 HydrophobicContact CE1-CD2 4.5Å; F116-W292 HydrophobicContact CB-CD2 4.42Å; F116-W292 HydrophobicContact CB-CH2 4.24Å; F116-W292 HydrophobicContact CB-CZ2 3.48Å; F116-W292 VanDerWaalsContact CB-CZ2 3.48Å; F116-W292 HydrophobicContact CD1-CD2 4.19Å; F116-W292 AromaticContact CD1-CE2 3.99Å; F116-W292 HydrophobicContact CD1-CE3 4.05Å; F116-W292 AromaticContact CD1-CH2 3.52Å; F116-W292 HydrophobicContact CD1-CH2 3.52Å; F116-W292 AromaticContact CD1-CZ2 3.66Å; F116-W292 HydrophobicContact CD1-CZ2 3.66Å; F116-W292 AromaticContact CD1-CZ3 3.75Å; F116-W292 HydrophobicContact CD1-CZ3 3.75Å; F116-W292 AromaticContact CD2-CD2 3.96Å; F116-W292 HydrophobicContact CD2-CD2 3.96Å; F116-W292 AromaticContact CD2-CE2 3.97Å; F116-W292 HydrophobicContact CD2-CE3 4.42Å; F116-W292 HydrophobicContact CD2-CG 4.16Å; F116-W292 HydrophobicContact CD2-CZ2 4.43Å; F116-W292 HydrophobicContact CE1-CD2 4.44Å; F116-W292 AromaticContact CE1-CE3 3.98Å; F116-W292 HydrophobicContact CE1-CE3 3.98Å; F116-W292 HydrophobicContact CE1-CH2 4.07Å; F116-W292 AromaticContact CE1-CZ3 3.81Å; F116-W292 HydrophobicContact CE1-CZ3 3.81Å; F116-W292 HydrophobicContact CE2-CD2 4.24Å; F116-W292 HydrophobicContact CE2-CE3 4.38Å; F116-W292 HydrophobicContact CE2-CG 4.43Å; F116-W292 AromaticContact CG-CD2 3.94Å; F116-W292 HydrophobicContact CG-CD2 3.94Å; F116-W292 AromaticContact CG-CE2 3.59Å; F116-W292 HydrophobicContact CG-CE3 4.27Å; F116-W292 AromaticContact CG-CH2 3.98Å; F116-W292 HydrophobicContact CG-CH2 3.98Å; F116-W292 AromaticContact CG-CZ2 3.6Å; F116-W292 HydrophobicContact CG-CZ2 3.6Å; F116-W292 HydrophobicContact CG-CZ3 4.31Å; F116-W292 HydrophobicContact CZ-CD2 4.47Å; F116-W292 HydrophobicContact CZ-CE3 4.16Å; F116-W292 HydrophobicContact CZ-CZ3 4.44Å; F116-I297 HydrophobicContact CD1-CD1 4.44Å; F116-I297 HydrophobicContact CD1-CG1 4.21Å; F116-I297 HydrophobicContact CE1-CD1 4.21Å; F116-I297 HydrophobicContact CE1-CG1 3.51Å; F116-I297 HydrophobicContact CZ-CG1 4.07Å |
| 117 | S | 94.8 | Very high | 92.6 | Very high | 66 Ų | 66 | 50.1 Ų | 50.1 | 46% | 0.462 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 132.4 | 160.2 | -58 | 0 | 0 | 0 | 0 | 108.6 | P119 | S117-P119 WeakPolarHBondContact O-CD 2.92Å; S117-P119 VanDerWaalsContact O-N 3.13Å |
| 118 | P | 95.8 | Very high | 92.8 | Very high | 31 Ų | 31 | 48.4 Ų | 48.4 | 20% | 0.201 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 120.1 | -179.2 | -21.4 | 28.8 | 0 | 0 | 0 | 109.8 | R178 K212 F213 | P118-R178 HydrophobicContact CB-CG 3.67Å; P118-R178 HydrophobicContact CG-CG 4.45Å; P118-R178 VanDerWaalsContact CG-CZ 3.42Å; P118-K212 CarbonylContact O-C 3.57Å; P118-K212 WeakPolarHBondContact O-CA 3.16Å; P118-F213 PolarHBondContact O-N 3.19Å |
| 119 | P | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 152.8 | 179.1 | 31.3 | -32 | 0 | 0 | 0 | 109.4 | S117 G179 P180 F210 M248 F263 W292 | S117-P119 WeakPolarHBondContact O-CD 2.92Å; S117-P119 VanDerWaalsContact O-N 3.13Å; P119-G179 WeakPolarHBondContact O-CA 3.36Å; P119-G179 PolarHBondContact O-N 3.03Å; P119-P180 WeakPolarHBondContact CD-O 3.25Å; P119-F210 WeakPolarHBondContact CA-O 3.03Å; P119-M248 HydrophobicContact CG-CE 3.92Å; P119-M248 HydrophobicContact CG-SD 3.9Å; P119-F263 HydrophobicContact CB-CE1 3.94Å; P119-F263 HydrophobicContact CB-CZ 3.74Å; P119-W292 HydrophobicContact CB-CZ2 4.37Å; P119-W292 HydrophobicContact CG-CH2 4.41Å; P119-W292 HydrophobicContact CG-CZ2 3.77Å |
| 120 | G | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 121.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L209 F210 | G120-L209 WeakPolarHBondContact O-CA 3.05Å; G120-F210 PolarHBondContact N-O 2.87Å; G120-F210 WeakPolarHBondContact O-CD1 3.44Å; G120-F210 PolarHBondContact O-N 3.38Å |
| 121 | I | 97.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 97.8 | 175.8 | -52.3 | 170.4 | 0 | 0 | 0 | 107.5 | L123 V176 V177 I189 M191 L209 F290 | I121-L123 HydrophobicContact CG2-CD1 4.16Å; I121-L123 HydrophobicContact CG2-CG 4.14Å; I121-V176 CarbonylContact O-C 3.54Å; I121-V176 WeakPolarHBondContact O-CA 3.44Å; I121-V177 PolarHBondContact N-O 2.89Å; I121-V177 PolarHBondContact O-N 2.92Å; I121-I189 HydrophobicContact CD1-CG2 3.87Å; I121-M191 HydrophobicContact CD1-CE 4.33Å; I121-M191 HydrophobicContact CG2-CE 4.4Å; I121-L209 HydrophobicContact CB-CD2 4.13Å; I121-L209 HydrophobicContact CG1-CD2 3.76Å; I121-L209 HydrophobicContact CG2-CD2 3.98Å; I121-F290 HydrophobicContact CD1-CB 3.91Å; I121-F290 HydrophobicContact CD1-CD1 4.24Å; I121-F290 HydrophobicContact CD1-CD2 3.86Å; I121-F290 HydrophobicContact CD1-CE2 4.42Å; I121-F290 HydrophobicContact CD1-CG 3.76Å; I121-F290 HydrophobicContact CG2-CD2 4.32Å; I121-F290 HydrophobicContact CG2-CE1 4.14Å; I121-F290 HydrophobicContact CG2-CE2 3.81Å; I121-F290 HydrophobicContact CG2-CZ 3.71Å |
| 122 | A | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 110.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | F124 V176 Y207 M208 F210 M226 | A122-F124 HydrophobicContact CB-CE2 4.42Å; A122-V176 HydrophobicContact CB-CG1 4.49Å; A122-V176 HydrophobicContact CB-CG2 3.98Å; A122-Y207 CarbonylContact O-C 3.55Å; A122-Y207 WeakPolarHBondContact O-CA 3.49Å; A122-Y207 WeakPolarHBondContact O-CB 3.3Å; A122-M208 HydrophobicContact CB-CB 4.3Å; A122-M208 HydrophobicContact CB-CE 4.05Å; A122-M208 PolarHBondContact N-O 2.83Å; A122-M208 PolarHBondContact O-N 3.22Å; A122-F210 HydrophobicContact CB-CE1 4.35Å; A122-M226 HydrophobicContact CB-CE 3.5Å |
| 123 | L | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 142 | 178.5 | -64 | 131.6 | 0 | 0 | 0 | 109.8 | I121 P125 A174 V175 V177 M191 F193 I205 F238 | I121-L123 HydrophobicContact CG2-CD1 4.16Å; I121-L123 HydrophobicContact CG2-CG 4.14Å; L123-P125 WeakPolarHBondContact O-CD 3.1Å; L123-A174 CarbonylContact O-C 3.44Å; L123-A174 VanDerWaalsContact O-CA 3.29Å; L123-A174 WeakPolarHBondContact O-CA 3.5Å; L123-V175 WeakPolarHBondContact CB-O 3.35Å; L123-V175 PolarHBondContact N-O 2.86Å; L123-V175 PolarHBondContact O-N 3.18Å; L123-V177 HydrophobicContact CD1-CG2 3.82Å; L123-M191 HydrophobicContact CD1-CE 4.11Å; L123-M191 HydrophobicContact CD1-SD 3.69Å; L123-F193 HydrophobicContact CD1-CZ 3.92Å; L123-F193 HydrophobicContact CD2-CE2 4.27Å; L123-F193 HydrophobicContact CD2-CZ 3.87Å; L123-F193 HydrophobicContact CG-CZ 4.3Å; L123-I205 HydrophobicContact CD2-CG2 4.37Å; L123-F238 HydrophobicContact CD2-CE1 3.65Å; L123-F238 HydrophobicContact CD2-CZ 3.92Å |
| 124 | F | 94.5 | Very high | 93.3 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 77.2 | 177.9 | -59.6 | -85 | 0 | 0 | 0 | 108.3 | A122 D126 Y162 A174 S206 M208 M235 | A122-F124 HydrophobicContact CB-CE2 4.42Å; F124-D126 PolarHBondContact O-N 2.81Å; F124-Y162 AromaticContact CE1-CE1 3.96Å; F124-Y162 HydrophobicContact CE1-CE1 3.96Å; F124-Y162 WeakPolarHBondContact CE1-OH 3.48Å; F124-Y162 WeakPolarHBondContact CZ-OH 3.35Å; F124-A174 HydrophobicContact CD1-CB 4.11Å; F124-A174 HydrophobicContact CE1-CB 3.73Å; F124-A174 HydrophobicContact CZ-CB 4.29Å; F124-S206 PolarHBondContact N-O 3.31Å; F124-M208 HydrophobicContact CE2-CB 4.07Å; F124-M235 HydrophobicContact CD2-CE 3.36Å; F124-M235 HydrophobicContact CD2-SD 4.31Å; F124-M235 HydrophobicContact CE2-CE 3.29Å; F124-M235 HydrophobicContact CE2-SD 3.62Å; F124-M235 HydrophobicContact CG-CE 4.23Å; F124-M235 HydrophobicContact CZ-CE 4.1Å; F124-M235 HydrophobicContact CZ-SD 4.19Å |
| 125 | P | 91.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | trans | -75.4 | -11.8 | -174.3 | 31.2 | -36.6 | 0 | 0 | 0 | 113.5 | L123 D127 A128 V175 F193 I205 | L123-P125 WeakPolarHBondContact O-CD 3.1Å; P125-D127 PolarHBondContact O-N 2.85Å; P125-A128 HydrophobicContact CB-CB 3.94Å; P125-A128 WeakPolarHBondContact CB-O 3.31Å; P125-A128 VanDerWaalsContact O-CB 3.27Å; P125-A128 WeakPolarHBondContact O-CB 3.4Å; P125-A128 PolarHBondContact O-N 2.9Å; P125-V175 HydrophobicContact CG-CG2 3.82Å; P125-F193 HydrophobicContact CB-CD1 4.43Å; P125-I205 HydrophobicContact CB-CD1 4.5Å | ||
| 126 | D | 87.2 | Confident | 93.6 | Very high | 71 Ų | 71 | 30.8 Ų | 30.8 | 38% | 0.38 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | -103.7 | -171.8 | -68.9 | -36.6 | 0 | 0 | 0 | 111.2 | F124 R173 | F124-D126 PolarHBondContact O-N 2.81Å; D126-R173 PolarHBondContact O-NH2 2.91Å |
| 127 | D | 86.9 | Confident | 93.6 | Very high | 129 Ų | 129 | 35.8 Ų | 35.8 | 69% | 0.69 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -10.5 | 178.1 | -64.7 | -41 | 0 | 0 | 0 | 114.2 | P125 | P125-D127 PolarHBondContact O-N 2.85Š|
| 128 | A | 90.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | trans | -71.3 | 150.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P125 S194 Q195 I205 | P125-A128 HydrophobicContact CB-CB 3.94Å; P125-A128 WeakPolarHBondContact CB-O 3.31Å; P125-A128 VanDerWaalsContact O-CB 3.27Å; P125-A128 WeakPolarHBondContact O-CB 3.4Å; P125-A128 PolarHBondContact O-N 2.9Å; A128-S194 CarbonylContact C-O 3.58Å; A128-S194 WeakPolarHBondContact CA-O 3.48Å; A128-Q195 HydrophobicContact CB-CB 3.9Å; A128-Q195 HydrophobicContact CB-CG 4.03Å; A128-I205 HydrophobicContact CB-CD1 3.82Å; A128-I205 HydrophobicContact CB-CG1 4.42Å | ||
| 129 | Q | 92 | Very high | 92.5 | Very high | 130 Ų | 130 | 40.3 Ų | 40.3 | 61% | 0.607 | 19% | 0.194 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 136 | 178.3 | -62.4 | -174.5 | 8.8 | 0 | 0 | 110 | L131 F193 S194 | Q129-L131 PolarHBondContact O-N 2.94Å; Q129-F193 CarbonylContact O-C 3.57Å; Q129-F193 WeakPolarHBondContact O-CA 3.46Å; Q129-F193 WeakPolarHBondContact O-CB 3.39Å; Q129-S194 PolarHBondContact N-O 3.07Å; Q129-S194 PolarHBondContact O-N 2.78Å |
| 130 | L | 93.5 | Very high | 91.7 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 27% | 0.267 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 118.3 | 171.4 | -180 | 71.3 | 0 | 0 | 0 | 108.6 | C133 I157 M191 F193 | L130-C133 HydrophobicContact CD1-CB 4.49Å; L130-C133 HydrophobicContact CD2-CB 4.24Å; L130-I157 HydrophobicContact CD2-CD1 3.55Å; L130-M191 HydrophobicContact CD1-CB 4.08Å; L130-M191 HydrophobicContact CD1-CG 4.27Å; L130-F193 HydrophobicContact CB-CD1 3.97Å; L130-F193 HydrophobicContact CB-CE1 3.8Å; L130-F193 HydrophobicContact CD1-CD1 3.98Å; L130-F193 HydrophobicContact CD1-CD2 4.36Å; L130-F193 HydrophobicContact CD1-CE1 3.49Å; L130-F193 VanDerWaalsContact CD1-CE1 3.49Å; L130-F193 HydrophobicContact CD1-CE2 3.9Å; L130-F193 HydrophobicContact CD1-CG 4.38Å; L130-F193 HydrophobicContact CD1-CZ 3.43Å; L130-F193 VanDerWaalsContact CD1-CZ 3.43Å; L130-F193 HydrophobicContact CG-CE1 4.21Å |
| 131 | L | 92.7 | Very high | 91.1 | Very high | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -37.9 | -179.8 | -68.8 | -178.7 | 0 | 0 | 0 | 112.9 | Q129 P150 Q151 Q192 S194 L285 | Q129-L131 PolarHBondContact O-N 2.94Å; L131-P150 HydrophobicContact CD2-CB 4.39Å; L131-P150 HydrophobicContact CD2-CG 3.91Å; L131-P150 WeakPolarHBondContact O-CA 3.39Å; L131-Q151 PolarHBondContact O-N 2.82Å; L131-Q192 HydrophobicContact CB-CB 4.45Å; L131-Q192 HydrophobicContact CB-CG 4.18Å; L131-Q192 HydrophobicContact CD1-CG 4.12Å; L131-Q192 PolarHBondContact N-O 2.71Å; L131-S194 WeakPolarHBondContact CD2-OG 3.3Å; L131-S194 WeakPolarHBondContact CG-OG 3.43Å; L131-L285 HydrophobicContact CD1-CD2 4.07Å |
| 132 | S | 93.1 | Very high | 90.4 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 142.2 | -175.4 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | M191 Q192 | S132-M191 WeakPolarHBondContact O-CA 3.46Å; S132-Q192 PolarHBondContact N-O 2.78Å; S132-Q192 PolarHBondContact O-N 2.82Å |
| 133 | C | 93.8 | Very high | 89.8 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 121.6 | 171.8 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | L130 G153 D154 C155 I189 F190 M191 | L130-C133 HydrophobicContact CD1-CB 4.49Å; L130-C133 HydrophobicContact CD2-CB 4.24Å; C133-G153 CarbonylContact O-C 3.42Å; C133-G153 WeakPolarHBondContact O-CA 3.35Å; C133-D154 PolarHBondContact O-N 2.86Å; C133-C155 HydrophobicContact CB-CB 3.64Å; C133-C155 WeakPolarHBondContact CB-SG 3.45Å; C133-C155 PolarHBondContact O-SG 2.85Å; C133-C155 WeakPolarHBondContact SG-CB 3.44Å; C133-C155 CovalentContact SG-SG 2.03Å; C133-C155 PolarHBondContact SG-SG 2.82Å; C133-I189 VanDerWaalsContact SG-CD1 3.59Å; C133-F190 WeakPolarHBondContact CA-O 3.36Å; C133-M191 HydrophobicContact CB-CG 3.97Å; C133-M191 VanDerWaalsContact SG-CG 3.51Å |
| 134 | K | 93.9 | Very high | 89 | Confident | 71 Ų | 71 | 58.9 Ų | 58.9 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 141.2 | -179.7 | -67.9 | -175.4 | 178.7 | 174.7 | 0 | 111.9 | E152 C155 I189 F190 | K134-E152 WeakPolarHBondContact CE-O 3.44Å; K134-E152 PolarHBondContact NZ-O 3.04Å; K134-C155 PolarHBondContact N-SG 2.71Å; K134-I189 WeakPolarHBondContact O-CA 3.47Å; K134-F190 PolarHBondContact N-O 2.76Å; K134-F190 PolarHBondContact O-N 3.1Å |
| 135 | H | 93.9 | Very high | 88.2 | Confident | 30 Ų | 30 | 63.1 Ų | 63.1 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 136 | 167 | -71.1 | -107.8 | 0 | 0 | 0 | 109.6 | R178 E187 L188 | H135-R178 PolarHBondContact CE1-O 3.39Å; H135-R178 PolarHBondContact NE2-O 2.95Å; H135-E187 IonicContact CE1-OE1 2.71Å; H135-E187 PolarHBondContact CE1-OE1 3.1Å; H135-E187 IonicContact CG-OE1 3.18Å; H135-E187 IonicContact ND1-OE1 3.02Å; H135-E187 PolarHBondContact ND1-OE1 2.7Å; H135-L188 CarbonylContact C-O 3.54Å; H135-L188 WeakPolarHBondContact CA-O 3.48Å |
| 136 | H | 93.4 | Very high | 87.7 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 13% | 0.134 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 159 | 171 | -60 | -80.5 | 0 | 0 | 0 | 109.7 | I141 P142 E187 L188 | H136-I141 HydrophobicContact CB-CG1 4.42Å; H136-P142 WeakPolarHBondContact CE1-CD 3.45Å; H136-E187 CarbonylContact O-C 3.54Å; H136-E187 WeakPolarHBondContact O-CA 3.38Å; H136-L188 HydrophobicContact CB-CD1 3.63Å; H136-L188 HydrophobicContact CB-CG 4.08Å; H136-L188 PolarHBondContact N-O 3.17Å; H136-L188 PolarHBondContact O-N 3.43Å |
| 137 | Y | 92.5 | Very high | 87.5 | Confident | 110 Ų | 110 | 66.1 Ų | 66.1 | 43% | 0.431 | 35% | 0.347 | S | S | . | . | trans | -126.6 | 157.1 | -179 | -59.4 | -89.4 | 0 | 0 | 0 | 109.7 | D139 N140 N185 E187 | Y137-D139 VanDerWaalsContact C-N 3.32Å; Y137-D139 PolarHBondContact O-N 2.64Å; Y137-N140 PolarHBondContact O-N 2.83Å; Y137-N185 HydrophobicContact CD1-CB 4.09Å; Y137-E187 HydrophobicContact CD1-CB 3.88Å; Y137-E187 HydrophobicContact CD1-CG 4.03Å; Y137-E187 HydrophobicContact CE1-CB 3.79Å; Y137-E187 HydrophobicContact CE1-CG 3.56Å | ||
| 138 | H | 88.3 | Confident | 87.2 | Confident | 128 Ų | 128 | 61.1 Ų | 61.1 | 59% | 0.593 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 36.5 | 176.1 | -46.2 | -57.3 | 0 | 0 | 0 | 114.3 | N140 N185 K186 | H138-N140 PolarHBondContact O-N 2.83Å; H138-N185 PolarHBondContact N-O 3.25Å; H138-N185 PolarHBondContact ND1-O 2.58Å; H138-K186 PolarHBondContact N-O 2.88Å |
| 139 | D | 78.8 | Confident | 86.9 | Confident | 65 Ų | 65 | 64.1 Ų | 64.1 | 35% | 0.348 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 13 | -179.4 | -55.9 | -27.9 | 0 | 0 | 0 | 115.1 | Y137 I141 K186 | Y137-D139 VanDerWaalsContact C-N 3.32Å; Y137-D139 PolarHBondContact O-N 2.64Å; D139-I141 PolarHBondContact O-N 3.5Å; D139-K186 VanDerWaalsContact CG-CD 3.44Å; D139-K186 WeakPolarHBondContact OD1-CD 3.19Å; D139-K186 WeakPolarHBondContact OD2-CD 3.45Å; D139-K186 IonicContact OD2-NZ 2.73Å; D139-K186 PolarHBondContact OD2-NZ 3.36Å |
| 140 | N | 80.8 | Confident | 86.7 | Confident | 114 Ų | 114 | 63 Ų | 63 | 61% | 0.61 | 35% | 0.348 | S | S | * | . | trans | -97 | 93.5 | -173.5 | -170.3 | 22.1 | 0 | 0 | 0 | 111.6 | Y137 H138 | Y137-N140 PolarHBondContact O-N 2.83Å; H138-N140 PolarHBondContact O-N 2.83Å | ||
| 141 | I | 84.3 | Confident | 86.3 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | trans | -93.3 | 115.9 | 168 | -67 | 165.1 | 0 | 0 | 0 | 108 | H136 D139 L188 F190 W245 V289 | H136-I141 HydrophobicContact CB-CG1 4.42Å; D139-I141 PolarHBondContact O-N 3.5Å; I141-L188 HydrophobicContact CD1-CD1 3.53Å; I141-L188 HydrophobicContact CD1-CD2 3.96Å; I141-L188 HydrophobicContact CD1-CG 4.44Å; I141-L188 HydrophobicContact CG1-CD1 3.64Å; I141-L188 HydrophobicContact CG1-CD2 4.17Å; I141-F190 HydrophobicContact CD1-CB 4.33Å; I141-F190 HydrophobicContact CG2-CD1 4.38Å; I141-F190 HydrophobicContact CG2-CG 4.43Å; I141-W245 HydrophobicContact CD1-CH2 4.41Å; I141-V289 HydrophobicContact CD1-CG1 4.12Å; I141-V289 HydrophobicContact CD1-CG2 3.62Å | ||
| 142 | P | 83.3 | Confident | 85.8 | Confident | 69 Ų | 69 | 71.3 Ų | 71.3 | 45% | 0.448 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 155 | 178.3 | 27.6 | -33.5 | 0 | 0 | 0 | 110.6 | H136 L144 | H136-P142 WeakPolarHBondContact CE1-CD 3.45Å; P142-L144 PolarHBondContact O-N 3.33Å |
| 143 | P | 82.4 | Confident | 85.1 | Confident | 116 Ų | 116 | 73 Ų | 73 | 75% | 0.753 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 140.4 | 172.8 | -24.7 | 34 | 0 | 0 | 0 | 111.4 | V145 | P143-V145 PolarHBondContact O-N 2.79Š|
| 144 | L | 81.9 | Confident | 84.7 | Confident | 65 Ų | 65 | 79.4 Ų | 79.4 | 34% | 0.34 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 123 | 175.5 | -74.8 | 163 | 0 | 0 | 0 | 109.8 | P142 F190 F272 F287 | P142-L144 PolarHBondContact O-N 3.33Å; L144-F190 HydrophobicContact CD2-CE1 3.71Å; L144-F190 HydrophobicContact CD2-CZ 3.81Å; L144-F272 HydrophobicContact CD1-CD2 4.23Å; L144-F272 HydrophobicContact CD1-CE2 3.66Å; L144-F287 HydrophobicContact CD1-CD1 4.26Å; L144-F287 HydrophobicContact CD1-CE1 3.71Å; L144-F287 HydrophobicContact CD1-CZ 4.1Å; L144-F287 HydrophobicContact CD2-CE1 4.09Å |
| 145 | V | 77.9 | Confident | 84.6 | Confident | 100 Ų | 100 | 77.1 Ų | 77.1 | 61% | 0.606 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -100.3 | 125.5 | 169.6 | -175.1 | 0 | 0 | 0 | 0 | 106.8 | P143 Q151 | P143-V145 PolarHBondContact O-N 2.79Å; V145-Q151 PolarHBondContact O-NE2 2.8Å |
| 146 | D | 81.1 | Confident | 84.7 | Confident | 112 Ų | 112 | 80.3 Ų | 80.3 | 60% | 0.599 | 45% | 0.446 | S | S | * | . | S | Bend | trans | 47.5 | 62 | 177 | -54.9 | -33.6 | 0 | 0 | 0 | 115.3 | G148 T149 | D146-G148 PolarHBondContact O-N 3.3Å; D146-T149 HydrophobicContact CB-CG2 4.4Å; D146-T149 PolarHBondContact O-N 3.04Å; D146-T149 PolarHBondContact O-OG1 2.9Å |
| 147 | P | 83 | Confident | 84.8 | Confident | 26 Ų | 26 | 82.3 Ų | 82.3 | 17% | 0.169 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 137.4 | 179.5 | 23.7 | -30.5 | 0 | 0 | 0 | 111.1 | F272 R276 L285 F287 | P147-F272 HydrophobicContact CB-CZ 4.07Å; P147-F272 HydrophobicContact CG-CZ 4.05Å; P147-R276 HydrophobicContact CG-CG 4.08Å; P147-R276 WeakPolarHBondContact O-CD 3.46Å; P147-L285 HydrophobicContact CB-CD1 3.87Å; P147-F287 HydrophobicContact CB-CZ 4.47Å |
| 148 | G | 80.4 | Confident | 84.9 | Confident | 24 Ų | 24 | 78 Ų | 78 | 25% | 0.247 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | -11.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D146 | D146-G148 PolarHBondContact O-N 3.3Š|
| 149 | T | 84.4 | Confident | 85.2 | Confident | 65 Ų | 65 | 78 Ų | 78 | 40% | 0.399 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -90.8 | 142.6 | 170 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | D146 Q151 | D146-T149 HydrophobicContact CB-CG2 4.4Å; D146-T149 PolarHBondContact O-N 3.04Å; D146-T149 PolarHBondContact O-OG1 2.9Å; T149-Q151 PolarHBondContact O-N 2.95Å |
| 150 | P | 87 | Confident | 86 | Confident | 107 Ų | 107 | 75.2 Ų | 75.2 | 70% | 0.695 | 43% | 0.427 | S | S | * | . | trans | -60.6 | 133.7 | 170.5 | -22.1 | 32.9 | 0 | 0 | 0 | 110.7 | L131 | L131-P150 HydrophobicContact CD2-CB 4.39Å; L131-P150 HydrophobicContact CD2-CG 3.91Å; L131-P150 WeakPolarHBondContact O-CA 3.39Å | ||
| 151 | Q | 84.8 | Confident | 86.7 | Confident | 57 Ų | 57 | 72.7 Ų | 72.7 | 27% | 0.266 | 42% | 0.416 | S | S | . | . | trans | -121.3 | 150.3 | 176.3 | -58.1 | -177.2 | 9.4 | 0 | 0 | 109.7 | L131 V145 T149 G153 | L131-Q151 PolarHBondContact O-N 2.82Å; V145-Q151 PolarHBondContact O-NE2 2.8Å; T149-Q151 PolarHBondContact O-N 2.95Å; Q151-G153 PolarHBondContact O-N 2.88Å; Q151-G153 VanDerWaalsContact O-N 3.17Å | ||
| 152 | E | 81.8 | Confident | 87.1 | Confident | 178 Ų | 178 | 71.7 Ų | 71.7 | 83% | 0.832 | 41% | 0.411 | S | S | * | . | trans | -61.2 | 120.7 | 174.2 | -168.9 | 168.8 | -160.2 | 0 | 0 | 109.8 | K134 | K134-E152 WeakPolarHBondContact CE-O 3.44Å; K134-E152 PolarHBondContact NZ-O 3.04Å | ||
| 153 | G | 79.2 | Confident | 87.5 | Confident | 41 Ų | 41 | 73.9 Ų | 73.9 | 42% | 0.423 | 41% | 0.413 | S | S | . | . | trans | -97.4 | 146.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C133 Q151 | C133-G153 CarbonylContact O-C 3.42Å; C133-G153 WeakPolarHBondContact O-CA 3.35Å; Q151-G153 PolarHBondContact O-N 2.88Å; Q151-G153 VanDerWaalsContact O-N 3.17Å | ||
| 154 | D | 85.9 | Confident | 87.8 | Confident | 136 Ų | 136 | 68.6 Ų | 68.6 | 73% | 0.727 | 38% | 0.38 | S | S | * | . | trans | -109.7 | 30.2 | 178.3 | -169.9 | 26.2 | 0 | 0 | 0 | 111.1 | C133 | C133-D154 PolarHBondContact O-N 2.86Š| ||
| 155 | C | 92.1 | Very high | 88.1 | Confident | 23 Ų | 23 | 66.2 Ų | 66.2 | 16% | 0.155 | 37% | 0.369 | C | S | . | . | trans | -104.8 | 144.1 | -177 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | C133 K134 I157 V177 | C133-C155 HydrophobicContact CB-CB 3.64Å; C133-C155 WeakPolarHBondContact CB-SG 3.45Å; C133-C155 PolarHBondContact O-SG 2.85Å; C133-C155 WeakPolarHBondContact SG-CB 3.44Å; C133-C155 CovalentContact SG-SG 2.03Å; C133-C155 PolarHBondContact SG-SG 2.82Å; K134-C155 PolarHBondContact N-SG 2.71Å; C155-I157 HydrophobicContact CB-CD1 4.25Å; C155-I157 HydrophobicContact CB-CG1 3.99Å; C155-I157 PolarHBondContact O-N 2.86Å; C155-V177 HydrophobicContact CB-CG1 4Å | ||
| 156 | E | 95.1 | Very high | 88.5 | Confident | 97 Ų | 97 | 68.3 Ų | 68.3 | 45% | 0.453 | 37% | 0.37 | S | S | . | . | trans | -81.1 | 117.1 | 166.8 | -168 | 179.5 | 177.9 | 0 | 0 | 109.5 | R178 F213 | E156-R178 HydrophobicContact CB-CB 4.07Å; E156-R178 PolarHBondContact O-N 2.77Å; E156-R178 WeakPolarHBondContact OE2-CD 3.36Å; E156-F213 HydrophobicContact CG-CE1 3.99Å; E156-F213 HydrophobicContact CG-CZ 4.2Å | ||
| 157 | I | 95 | Very high | 88.3 | Confident | 70 Ų | 70 | 66.1 Ų | 66.1 | 36% | 0.359 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 138.6 | -172.4 | -53.2 | 171.3 | 0 | 0 | 0 | 109.3 | L130 C155 V175 V176 V177 | L130-I157 HydrophobicContact CD2-CD1 3.55Å; C155-I157 HydrophobicContact CB-CD1 4.25Å; C155-I157 HydrophobicContact CB-CG1 3.99Å; C155-I157 PolarHBondContact O-N 2.86Å; I157-V175 HydrophobicContact CG2-CG1 3.56Å; I157-V176 CarbonylContact C-O 3.59Å; I157-V176 WeakPolarHBondContact CA-O 3.48Å; I157-V177 HydrophobicContact CG1-CG1 4.45Å; I157-V177 HydrophobicContact CG1-CG2 4.2Å; I157-V177 HydrophobicContact CG2-CG2 4.4Å |
| 158 | T | 95.2 | Very high | 87.6 | Confident | 21 Ų | 21 | 73.2 Ų | 73.2 | 13% | 0.129 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 123.3 | 172.1 | -65.6 | 0 | 0 | 0 | 0 | 109.6 | V160 V176 L216 I217 K222 | T158-V160 HydrophobicContact CG2-CG2 3.94Å; T158-V176 PolarHBondContact N-O 3.24Å; T158-V176 WeakPolarHBondContact O-CB 3.32Å; T158-V176 PolarHBondContact O-N 2.78Å; T158-L216 HydrophobicContact CG2-CD2 4.41Å; T158-I217 WeakPolarHBondContact OG1-CD1 3.13Å; T158-K222 HydrophobicContact CG2-CD 4.22Å |
| 159 | E | 95.4 | Very high | 87.1 | Confident | 127 Ų | 127 | 83.3 Ų | 83.3 | 59% | 0.593 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 132.6 | 172.6 | -62.2 | -168.8 | 177 | 0 | 0 | 110.7 | A174 V175 | E159-A174 WeakPolarHBondContact CA-O 3.49Å; E159-V175 HydrophobicContact CG-CG2 4.38Å |
| 160 | V | 95.1 | Very high | 87.1 | Confident | 6 Ų | 6 | 85.9 Ų | 85.9 | 4% | 0.036 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 128.2 | 178.9 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | T158 A174 L216 K222 M226 | T158-V160 HydrophobicContact CG2-CG2 3.94Å; V160-A174 PolarHBondContact N-O 2.78Å; V160-A174 PolarHBondContact O-N 3.4Å; V160-L216 HydrophobicContact CG2-CD1 4.32Å; V160-L216 HydrophobicContact CG2-CD2 4.42Å; V160-K222 HydrophobicContact CG1-CB 4.03Å; V160-K222 HydrophobicContact CG2-CB 4.12Å; V160-K222 HydrophobicContact CG2-CD 4.38Å; V160-M226 HydrophobicContact CB-CG 4.11Å; V160-M226 HydrophobicContact CG1-CB 4.43Å; V160-M226 HydrophobicContact CG1-CG 3.8Å; V160-M226 HydrophobicContact CG2-CG 4.39Å |
| 161 | T | 94.7 | Very high | 87.2 | Confident | 61 Ų | 61 | 86.6 Ų | 86.6 | 37% | 0.374 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 128.8 | 174.3 | -53.3 | 0 | 0 | 0 | 0 | 109.3 | Q171 K172 S223 | T161-Q171 VanDerWaalsContact CG2-CD 3.46Å; T161-Q171 HydrophobicContact CG2-CG 3.36Å; T161-K172 WeakPolarHBondContact CA-O 3.45Å; T161-S223 PolarHBondContact O-OG 3.2Å |
| 162 | Y | 93.7 | Very high | 87.5 | Confident | 5 Ų | 5 | 85.9 Ų | 85.9 | 2% | 0.02 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 167.5 | -177.5 | 73.2 | -79.6 | 0 | 0 | 0 | 112 | F124 K172 A174 M226 R227 E230 | F124-Y162 AromaticContact CE1-CE1 3.96Å; F124-Y162 HydrophobicContact CE1-CE1 3.96Å; F124-Y162 WeakPolarHBondContact CE1-OH 3.48Å; F124-Y162 WeakPolarHBondContact CZ-OH 3.35Å; Y162-K172 HydrophobicContact CE1-CB 4.47Å; Y162-K172 PolarHBondContact N-O 2.82Å; Y162-K172 PolarHBondContact O-N 2.83Å; Y162-A174 HydrophobicContact CE1-CB 4.11Å; Y162-M226 HydrophobicContact CD1-CB 3.73Å; Y162-M226 HydrophobicContact CD1-CG 4.46Å; Y162-M226 HydrophobicContact CD2-CB 4.33Å; Y162-M226 HydrophobicContact CE1-CB 3.81Å; Y162-M226 HydrophobicContact CE1-CE 4.3Å; Y162-M226 HydrophobicContact CE2-CB 4.4Å; Y162-M226 HydrophobicContact CG-CB 4.02Å; Y162-R227 HydrophobicContact CD2-CB 4.05Å; Y162-R227 HydrophobicContact CE2-CB 4.46Å; Y162-E230 WeakPolarHBondContact CE2-OE2 3.46Å; Y162-E230 VanDerWaalsContact CZ-OE2 3.28Å; Y162-E230 PolarHBondContact OH-OE2 3.04Å |
| 163 | F | 91.8 | Very high | 88 | Confident | 114 Ų | 114 | 81.8 Ų | 81.8 | 50% | 0.5 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 126.2 | 174.5 | -69.6 | -83.6 | 0 | 0 | 0 | 109.9 | Q171 | F163-Q171 HydrophobicContact CD1-CB 4.26Å; F163-Q171 HydrophobicContact CE1-CB 3.81Å; F163-Q171 HydrophobicContact CE1-CG 4.37Å; F163-Q171 HydrophobicContact CZ-CB 4.22Å; F163-Q171 HydrophobicContact CZ-CG 4.35Å |
| 164 | G | 87.3 | Confident | 88.8 | Confident | 5 Ų | 5 | 79.8 Ų | 79.8 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | trans | -62.7 | 145.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F166 | G164-F166 VanDerWaalsContact C-N 3.28Å; G164-F166 PolarHBondContact O-N 2.81Å | ||
| 165 | P | 88.4 | Confident | 89.3 | Confident | 16 Ų | 16 | 73.7 Ų | 73.7 | 10% | 0.104 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -70.6 | -22.2 | -177.6 | 29.4 | -34.6 | 0 | 0 | 0 | 113.9 | R227 E230 R231 | P165-R227 HydrophobicContact CB-CG 4.01Å; P165-R227 HydrophobicContact CG-CG 4.48Å; P165-E230 VanDerWaalsContact CD-OE2 3.3Å; P165-E230 WeakPolarHBondContact CD-OE2 3.5Å; P165-E230 HydrophobicContact CG-CB 3.98Å; P165-E230 HydrophobicContact CG-CG 3.92Å; P165-R231 HydrophobicContact CB-CG 3.43Å; P165-R231 VanDerWaalsContact CB-CG 3.43Å; P165-R231 VanDerWaalsContact CB-NE 3.3Å; P165-R231 HydrophobicContact CG-CG 3.67Å |
| 166 | F | 86.4 | Confident | 89.5 | Confident | 143 Ų | 143 | 72.6 Ų | 72.6 | 63% | 0.627 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -102.8 | -14.3 | -177.1 | -52.5 | -65.4 | 0 | 0 | 0 | 113.4 | G164 E230 | G164-F166 VanDerWaalsContact C-N 3.28Å; G164-F166 PolarHBondContact O-N 2.81Å; F166-E230 HydrophobicContact CE2-CG 4.22Å |
| 167 | T | 76.9 | Confident | 89.6 | Confident | 66 Ų | 66 | 68 Ų | 68 | 41% | 0.405 | 31% | 0.313 | S | S | . | . | trans | -132.2 | 86.5 | -177.6 | 40.4 | 0 | 0 | 0 | 0 | 108.8 | R169 K170 | T167-R169 PolarHBondContact O-N 2.86Å; T167-K170 PolarHBondContact O-N 2.91Å | ||
| 168 | E | 68.6 | Low | 89.7 | Confident | 176 Ų | 176 | 68.1 Ų | 68.1 | 82% | 0.822 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -4.4 | -170 | -63.7 | -174.8 | 163.1 | 0 | 0 | 115.2 | ||
| 169 | R | 71 | Confident | 89.8 | Confident | 236 Ų | 236 | 67.1 Ų | 67.1 | 89% | 0.891 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.8 | -4.1 | -174.9 | -59.3 | -174.9 | -176.4 | -177.9 | 0.6 | 115.1 | T167 | T167-R169 PolarHBondContact O-N 2.86Š|
| 170 | K | 83.5 | Confident | 89.8 | Confident | 119 Ų | 119 | 61 Ų | 61 | 52% | 0.517 | 27% | 0.274 | S | S | . | . | trans | -103.5 | 113.1 | 179.5 | -165.9 | 175.5 | -180 | -175 | 0 | 109.8 | T167 | T167-K170 PolarHBondContact O-N 2.91Š| ||
| 171 | Q | 89.3 | Confident | 89.8 | Confident | 121 Ų | 121 | 61.8 Ų | 61.8 | 57% | 0.565 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 128.3 | 167.9 | -169.2 | 173.6 | 31.1 | 0 | 0 | 108.2 | T161 F163 | T161-Q171 VanDerWaalsContact CG2-CD 3.46Å; T161-Q171 HydrophobicContact CG2-CG 3.36Å; F163-Q171 HydrophobicContact CD1-CB 4.26Å; F163-Q171 HydrophobicContact CE1-CB 3.81Å; F163-Q171 HydrophobicContact CE1-CG 4.37Å; F163-Q171 HydrophobicContact CZ-CB 4.22Å; F163-Q171 HydrophobicContact CZ-CG 4.35Å |
| 172 | K | 90.3 | Very high | 89.7 | Confident | 43 Ų | 43 | 60.8 Ų | 60.8 | 19% | 0.187 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 141.6 | 178.7 | -65.7 | -176.1 | 177.5 | -175.2 | 0 | 109.5 | T161 Y162 E230 | T161-K172 WeakPolarHBondContact CA-O 3.45Å; Y162-K172 HydrophobicContact CE1-CB 4.47Å; Y162-K172 PolarHBondContact N-O 2.82Å; Y162-K172 PolarHBondContact O-N 2.83Å; K172-E230 IonicContact NZ-OE1 3.65Å; K172-E230 PolarHBondContact NZ-OE1 3.29Å; K172-E230 IonicContact NZ-OE2 2.98Å |
| 173 | R | 93.7 | Very high | 89.5 | Confident | 91 Ų | 91 | 61.5 Ų | 61.5 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.4 | 171.3 | -178.9 | 175.6 | 66.5 | 153.3 | 0.1 | 108.5 | D126 | D126-R173 PolarHBondContact O-NH2 2.91Å |
| 174 | A | 95.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 130.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L123 F124 E159 V160 Y162 V176 M226 | L123-A174 CarbonylContact O-C 3.44Å; L123-A174 VanDerWaalsContact O-CA 3.29Å; L123-A174 WeakPolarHBondContact O-CA 3.5Å; F124-A174 HydrophobicContact CD1-CB 4.11Å; F124-A174 HydrophobicContact CE1-CB 3.73Å; F124-A174 HydrophobicContact CZ-CB 4.29Å; E159-A174 WeakPolarHBondContact CA-O 3.49Å; V160-A174 PolarHBondContact N-O 2.78Å; V160-A174 PolarHBondContact O-N 3.4Å; Y162-A174 HydrophobicContact CE1-CB 4.11Å; A174-V176 HydrophobicContact CB-CG2 4.47Å; A174-M226 HydrophobicContact CB-CE 4Å |
| 175 | V | 96.2 | Very high | 89.6 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 107.6 | 169.8 | 180 | 0 | 0 | 0 | 0 | 106.9 | L123 P125 I157 E159 V177 | L123-V175 WeakPolarHBondContact CB-O 3.35Å; L123-V175 PolarHBondContact N-O 2.86Å; L123-V175 PolarHBondContact O-N 3.18Å; P125-V175 HydrophobicContact CG-CG2 3.82Å; I157-V175 HydrophobicContact CG2-CG1 3.56Å; E159-V175 HydrophobicContact CG-CG2 4.38Å; V175-V177 HydrophobicContact CG1-CG2 4.36Å |
| 176 | V | 97.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.6 | -177.5 | -168.1 | 0 | 0 | 0 | 0 | 110 | I121 A122 I157 T158 A174 F210 F213 L216 M226 | I121-V176 CarbonylContact O-C 3.54Å; I121-V176 WeakPolarHBondContact O-CA 3.44Å; A122-V176 HydrophobicContact CB-CG1 4.49Å; A122-V176 HydrophobicContact CB-CG2 3.98Å; I157-V176 CarbonylContact C-O 3.59Å; I157-V176 WeakPolarHBondContact CA-O 3.48Å; T158-V176 PolarHBondContact N-O 3.24Å; T158-V176 WeakPolarHBondContact O-CB 3.32Å; T158-V176 PolarHBondContact O-N 2.78Å; A174-V176 HydrophobicContact CB-CG2 4.47Å; V176-F210 HydrophobicContact CG1-CE1 3.66Å; V176-F210 HydrophobicContact CG1-CZ 3.7Å; V176-F213 HydrophobicContact CB-CE2 4.46Å; V176-F213 HydrophobicContact CG1-CD2 4.03Å; V176-F213 HydrophobicContact CG1-CE2 3.88Å; V176-L216 HydrophobicContact CB-CD2 3.84Å; V176-L216 HydrophobicContact CG1-CD2 3.76Å; V176-L216 HydrophobicContact CG2-CD2 3.88Å; V176-M226 HydrophobicContact CG2-CE 4.06Å; V176-M226 HydrophobicContact CG2-SD 4.08Å |
| 177 | V | 97.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 140 | -178.7 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | I121 L123 C155 I157 V175 G179 I189 M191 | I121-V177 PolarHBondContact N-O 2.89Å; I121-V177 PolarHBondContact O-N 2.92Å; L123-V177 HydrophobicContact CD1-CG2 3.82Å; C155-V177 HydrophobicContact CB-CG1 4Å; I157-V177 HydrophobicContact CG1-CG1 4.45Å; I157-V177 HydrophobicContact CG1-CG2 4.2Å; I157-V177 HydrophobicContact CG2-CG2 4.4Å; V175-V177 HydrophobicContact CG1-CG2 4.36Å; V177-G179 PolarHBondContact O-N 2.81Å; V177-I189 HydrophobicContact CG1-CD1 3.4Å; V177-M191 HydrophobicContact CB-SD 4.21Å; V177-M191 HydrophobicContact CG1-SD 4.21Å; V177-M191 HydrophobicContact CG2-SD 3.87Å |
| 178 | R | 97.3 | Very high | 90.9 | Very high | 73 Ų | 73 | 60.6 Ų | 60.6 | 28% | 0.275 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 115.8 | 171.1 | -177 | -175.5 | 175.8 | -77.9 | 5.6 | 109.8 | P118 H135 E156 I189 F213 | P118-R178 HydrophobicContact CB-CG 3.67Å; P118-R178 HydrophobicContact CG-CG 4.45Å; P118-R178 VanDerWaalsContact CG-CZ 3.42Å; H135-R178 PolarHBondContact CE1-O 3.39Å; H135-R178 PolarHBondContact NE2-O 2.95Å; E156-R178 HydrophobicContact CB-CB 4.07Å; E156-R178 PolarHBondContact O-N 2.77Å; E156-R178 WeakPolarHBondContact OE2-CD 3.36Å; R178-I189 WeakPolarHBondContact O-CD1 3.38Å; R178-F213 HydrophobicContact CB-CD1 3.96Å; R178-F213 HydrophobicContact CB-CD2 4.2Å; R178-F213 HydrophobicContact CB-CE1 4.12Å; R178-F213 HydrophobicContact CB-CE2 4.35Å; R178-F213 HydrophobicContact CB-CG 3.99Å; R178-F213 HydrophobicContact CB-CZ 4.31Å; R178-F213 HydrophobicContact CG-CB 4.38Å; R178-F213 HydrophobicContact CG-CD1 4.11Å; R178-F213 HydrophobicContact CG-CG 4.21Å |
| 179 | G | 96.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -76.3 | 177.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | P119 V177 | P119-G179 WeakPolarHBondContact O-CA 3.36Å; P119-G179 PolarHBondContact O-N 3.03Å; V177-G179 PolarHBondContact O-N 2.81Å | ||
| 180 | P | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -68.9 | 154.7 | 178.8 | 30.3 | -37.6 | 0 | 0 | 0 | 112.3 | P119 E187 M248 W292 | P119-P180 WeakPolarHBondContact CD-O 3.25Å; P180-E187 HydrophobicContact CB-CB 4Å; P180-E187 HydrophobicContact CB-CG 3.72Å; P180-E187 WeakPolarHBondContact CB-O 3.44Å; P180-M248 HydrophobicContact CG-CE 3.26Å; P180-W292 PolarHBondContact O-NE1 3.44Å | ||
| 181 | S | 95 | Very high | 93.9 | Very high | 21 Ų | 21 | 35.9 Ų | 35.9 | 15% | 0.147 | 16% | 0.164 | C | C | . | . | trans | -125.6 | -36.8 | -176.5 | 179 | 0 | 0 | 0 | 0 | 112.3 | S115 F116 V183 E187 | S115-S181 WeakPolarHBondContact CA-O 3.12Å; F116-S181 PolarHBondContact N-O 2.86Å; F116-S181 WeakPolarHBondContact O-CB 3.09Å; F116-S181 PolarHBondContact O-OG 2.87Å; S181-V183 PolarHBondContact O-N 2.59Å; S181-E187 PolarHBondContact N-OE2 2.85Å | ||
| 182 | D | 92.4 | Very high | 94.1 | Very high | 40 Ų | 40 | 30.1 Ų | 30.1 | 21% | 0.214 | 14% | 0.137 | C | C | . | . | trans | -94.8 | 99.7 | -171.2 | -171.1 | -15.7 | 0 | 0 | 0 | 112.2 | K184 N185 K186 E187 | D182-K184 PolarHBondContact OD1-N 2.82Å; D182-N185 PolarHBondContact OD1-N 3.26Å; D182-N185 WeakPolarHBondContact OD2-CB 3.45Å; D182-N185 PolarHBondContact OD2-ND2 3.05Å; D182-K186 PolarHBondContact O-N 3.23Å; D182-E187 HydrophobicContact CB-CB 4.1Å; D182-E187 PolarHBondContact N-OE2 2.98Å; D182-E187 WeakPolarHBondContact O-CB 3.4Å; D182-E187 PolarHBondContact O-N 3.32Å | ||
| 183 | V | 90.6 | Very high | 94.3 | Very high | 21 Ų | 21 | 28 Ų | 28 | 13% | 0.127 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -30.5 | 179 | -170.3 | 0 | 0 | 0 | 0 | 111.8 | F116 S181 K186 W292 P295 | F116-V183 HydrophobicContact CD2-CG2 3.34Å; F116-V183 HydrophobicContact CE2-CG2 3.42Å; F116-V183 VanDerWaalsContact CE2-CG2 3.42Å; S181-V183 PolarHBondContact O-N 2.59Å; V183-K186 PolarHBondContact O-N 3.39Å; V183-K186 VanDerWaalsContact O-N 3.08Å; V183-W292 HydrophobicContact CB-CB 4.39Å; V183-W292 HydrophobicContact CG1-CB 4.12Å; V183-W292 HydrophobicContact CG2-CB 3.51Å; V183-W292 HydrophobicContact CG2-CG 3.63Å; V183-P295 HydrophobicContact CG1-CB 4.13Å |
| 184 | K | 88.8 | Confident | 94.2 | Very high | 134 Ų | 134 | 24.3 Ų | 24.3 | 58% | 0.583 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -42.7 | -178.4 | -71.7 | -171.7 | 178.5 | 179.3 | 0 | 111.1 | D114 D182 K186 | D114-K184 WeakPolarHBondContact OD1-CE 3.29Å; D114-K184 IonicContact OD1-NZ 2.72Å; D114-K184 PolarHBondContact OD1-NZ 2.67Å; D182-K184 PolarHBondContact OD1-N 2.82Å; K184-K186 PolarHBondContact O-N 2.84Å |
| 185 | N | 91.1 | Very high | 93.9 | Very high | 71 Ų | 71 | 24.7 Ų | 24.7 | 38% | 0.38 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 5.7 | 175.4 | -69.5 | -41.8 | 0 | 0 | 0 | 113.3 | Y137 H138 D182 E187 | Y137-N185 HydrophobicContact CD1-CB 4.09Å; H138-N185 PolarHBondContact N-O 3.25Å; H138-N185 PolarHBondContact ND1-O 2.58Å; D182-N185 PolarHBondContact OD1-N 3.26Å; D182-N185 WeakPolarHBondContact OD2-CB 3.45Å; D182-N185 PolarHBondContact OD2-ND2 3.05Å; N185-E187 VanDerWaalsContact C-N 3.31Å; N185-E187 PolarHBondContact O-N 2.84Å |
| 186 | K | 91.1 | Very high | 93.4 | Very high | 111 Ų | 111 | 29.9 Ų | 29.9 | 48% | 0.483 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 54.1 | -176.2 | -55.5 | -171.6 | 178.7 | 179.6 | 0 | 111.6 | H138 D139 D182 V183 K184 L188 | H138-K186 PolarHBondContact N-O 2.88Å; D139-K186 VanDerWaalsContact CG-CD 3.44Å; D139-K186 WeakPolarHBondContact OD1-CD 3.19Å; D139-K186 WeakPolarHBondContact OD2-CD 3.45Å; D139-K186 IonicContact OD2-NZ 2.73Å; D139-K186 PolarHBondContact OD2-NZ 3.36Å; D182-K186 PolarHBondContact O-N 3.23Å; V183-K186 PolarHBondContact O-N 3.39Å; V183-K186 VanDerWaalsContact O-N 3.08Å; K184-K186 PolarHBondContact O-N 2.84Å; K186-L188 PolarHBondContact O-N 3.24Å |
| 187 | E | 94.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 38 Ų | 38 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | trans | -65.3 | 132.1 | 173 | -171.7 | -170.7 | 170.7 | 0 | 0 | 109.5 | H135 H136 Y137 P180 S181 D182 N185 | H135-E187 IonicContact CE1-OE1 2.71Å; H135-E187 PolarHBondContact CE1-OE1 3.1Å; H135-E187 IonicContact CG-OE1 3.18Å; H135-E187 IonicContact ND1-OE1 3.02Å; H135-E187 PolarHBondContact ND1-OE1 2.7Å; H136-E187 CarbonylContact O-C 3.54Å; H136-E187 WeakPolarHBondContact O-CA 3.38Å; Y137-E187 HydrophobicContact CD1-CB 3.88Å; Y137-E187 HydrophobicContact CD1-CG 4.03Å; Y137-E187 HydrophobicContact CE1-CB 3.79Å; Y137-E187 HydrophobicContact CE1-CG 3.56Å; P180-E187 HydrophobicContact CB-CB 4Å; P180-E187 HydrophobicContact CB-CG 3.72Å; P180-E187 WeakPolarHBondContact CB-O 3.44Å; S181-E187 PolarHBondContact N-OE2 2.85Å; D182-E187 HydrophobicContact CB-CB 4.1Å; D182-E187 PolarHBondContact N-OE2 2.98Å; D182-E187 WeakPolarHBondContact O-CB 3.4Å; D182-E187 PolarHBondContact O-N 3.32Å; N185-E187 VanDerWaalsContact C-N 3.31Å; N185-E187 PolarHBondContact O-N 2.84Å | ||
| 188 | L | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 157.7 | 172.7 | 64.3 | 79.1 | 0 | 0 | 0 | 109.2 | H135 H136 I141 K186 F190 W245 V289 F290 E291 | H135-L188 CarbonylContact C-O 3.54Å; H135-L188 WeakPolarHBondContact CA-O 3.48Å; H136-L188 HydrophobicContact CB-CD1 3.63Å; H136-L188 HydrophobicContact CB-CG 4.08Å; H136-L188 PolarHBondContact N-O 3.17Å; H136-L188 PolarHBondContact O-N 3.43Å; I141-L188 HydrophobicContact CD1-CD1 3.53Å; I141-L188 HydrophobicContact CD1-CD2 3.96Å; I141-L188 HydrophobicContact CD1-CG 4.44Å; I141-L188 HydrophobicContact CG1-CD1 3.64Å; I141-L188 HydrophobicContact CG1-CD2 4.17Å; K186-L188 PolarHBondContact O-N 3.24Å; L188-F190 HydrophobicContact CD1-CB 4.49Å; L188-W245 HydrophobicContact CD2-CZ2 3.98Å; L188-V289 HydrophobicContact CB-CG1 4.07Å; L188-V289 HydrophobicContact CD1-CG1 4Å; L188-V289 HydrophobicContact CD2-CG1 4.24Å; L188-V289 HydrophobicContact CG-CG1 4.34Å; L188-F290 VanDerWaalsContact CA-O 3.27Å; L188-F290 WeakPolarHBondContact CA-O 3.38Å; L188-E291 HydrophobicContact CB-CB 3.96Å |
| 189 | I | 95.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.3 | 173.6 | -170.5 | 175.6 | 0 | 0 | 0 | 108.7 | I121 C133 K134 V177 R178 M191 V289 F290 | I121-I189 HydrophobicContact CD1-CG2 3.87Å; C133-I189 VanDerWaalsContact SG-CD1 3.59Å; K134-I189 WeakPolarHBondContact O-CA 3.47Å; V177-I189 HydrophobicContact CG1-CD1 3.4Å; R178-I189 WeakPolarHBondContact O-CD1 3.38Å; I189-M191 HydrophobicContact CD1-SD 4.48Å; I189-M191 HydrophobicContact CG1-CG 4.39Å; I189-M191 HydrophobicContact CG2-CE 4.29Å; I189-V289 CarbonylContact O-C 3.6Å; I189-V289 VanDerWaalsContact O-CA 3.27Å; I189-V289 WeakPolarHBondContact O-CA 3.5Å; I189-F290 HydrophobicContact CG2-CB 3.65Å; I189-F290 HydrophobicContact CG2-CD2 4.28Å; I189-F290 HydrophobicContact CG2-CG 4.42Å; I189-F290 PolarHBondContact N-O 3.25Å; I189-F290 PolarHBondContact O-N 3.36Å |
| 190 | F | 95.1 | Very high | 88.5 | Confident | 11 Ų | 11 | 51.4 Ų | 51.4 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.4 | 177.3 | 177.5 | -120.1 | 0 | 0 | 0 | 109.6 | C133 K134 I141 L144 L188 F287 V289 | C133-F190 WeakPolarHBondContact CA-O 3.36Å; K134-F190 PolarHBondContact N-O 2.76Å; K134-F190 PolarHBondContact O-N 3.1Å; I141-F190 HydrophobicContact CD1-CB 4.33Å; I141-F190 HydrophobicContact CG2-CD1 4.38Å; I141-F190 HydrophobicContact CG2-CG 4.43Å; L144-F190 HydrophobicContact CD2-CE1 3.71Å; L144-F190 HydrophobicContact CD2-CZ 3.81Å; L188-F190 HydrophobicContact CD1-CB 4.49Å; F190-F287 HydrophobicContact CE2-CB 4.13Å; F190-F287 HydrophobicContact CE2-CD1 4.18Å; F190-F287 AromaticContact CZ-CD1 3.73Å; F190-F287 HydrophobicContact CZ-CD1 3.73Å; F190-F287 HydrophobicContact CZ-CE1 4.49Å; F190-V289 HydrophobicContact CD2-CG2 3.62Å; F190-V289 HydrophobicContact CE2-CG2 4.31Å |
| 191 | M | 95.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 140 | 179.6 | -69.6 | 175.7 | -77.5 | 0 | 0 | 111 | I121 L123 L130 S132 C133 V177 I189 F193 V288 F290 | I121-M191 HydrophobicContact CD1-CE 4.33Å; I121-M191 HydrophobicContact CG2-CE 4.4Å; L123-M191 HydrophobicContact CD1-CE 4.11Å; L123-M191 HydrophobicContact CD1-SD 3.69Å; L130-M191 HydrophobicContact CD1-CB 4.08Å; L130-M191 HydrophobicContact CD1-CG 4.27Å; S132-M191 WeakPolarHBondContact O-CA 3.46Å; C133-M191 HydrophobicContact CB-CG 3.97Å; C133-M191 VanDerWaalsContact SG-CG 3.51Å; V177-M191 HydrophobicContact CB-SD 4.21Å; V177-M191 HydrophobicContact CG1-SD 4.21Å; V177-M191 HydrophobicContact CG2-SD 3.87Å; I189-M191 HydrophobicContact CD1-SD 4.48Å; I189-M191 HydrophobicContact CG1-CG 4.39Å; I189-M191 HydrophobicContact CG2-CE 4.29Å; M191-F193 HydrophobicContact CB-CE2 3.75Å; M191-F193 HydrophobicContact CB-CZ 4.29Å; M191-F193 HydrophobicContact SD-CZ 4.47Å; M191-V288 HydrophobicContact CB-CG1 3.87Å; M191-V288 HydrophobicContact CE-CG1 4.03Å; M191-V288 PolarHBondContact N-O 3.35Å; M191-V288 PolarHBondContact O-N 3.28Å; M191-F290 HydrophobicContact CE-CD2 3.43Å; M191-F290 VanDerWaalsContact CE-CD2 3.43Å; M191-F290 HydrophobicContact CE-CE2 3.46Å; M191-F290 VanDerWaalsContact CE-CE2 3.46Å |
| 192 | Q | 93.9 | Very high | 87 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.1 | 177.7 | 179.8 | 174.7 | -12.5 | 0 | 0 | 109.8 | L131 S132 F286 F287 | L131-Q192 HydrophobicContact CB-CB 4.45Å; L131-Q192 HydrophobicContact CB-CG 4.18Å; L131-Q192 HydrophobicContact CD1-CG 4.12Å; L131-Q192 PolarHBondContact N-O 2.71Å; S132-Q192 PolarHBondContact N-O 2.78Å; S132-Q192 PolarHBondContact O-N 2.82Å; Q192-F286 CarbonylContact C-O 3.59Å; Q192-F286 WeakPolarHBondContact CA-O 3.32Å; Q192-F287 HydrophobicContact CB-CD1 4.22Å; Q192-F287 HydrophobicContact CB-CE1 4.37Å; Q192-F287 HydrophobicContact CG-CD1 3.91Å; Q192-F287 HydrophobicContact CG-CE1 3.65Å |
| 193 | F | 93.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 154.9 | 174.9 | -55.2 | -103.1 | 0 | 0 | 0 | 110.7 | L123 P125 Q129 L130 M191 I205 F238 L285 F286 V288 | L123-F193 HydrophobicContact CD1-CZ 3.92Å; L123-F193 HydrophobicContact CD2-CE2 4.27Å; L123-F193 HydrophobicContact CD2-CZ 3.87Å; L123-F193 HydrophobicContact CG-CZ 4.3Å; P125-F193 HydrophobicContact CB-CD1 4.43Å; Q129-F193 CarbonylContact O-C 3.57Å; Q129-F193 WeakPolarHBondContact O-CA 3.46Å; Q129-F193 WeakPolarHBondContact O-CB 3.39Å; L130-F193 HydrophobicContact CB-CD1 3.97Å; L130-F193 HydrophobicContact CB-CE1 3.8Å; L130-F193 HydrophobicContact CD1-CD1 3.98Å; L130-F193 HydrophobicContact CD1-CD2 4.36Å; L130-F193 HydrophobicContact CD1-CE1 3.49Å; L130-F193 VanDerWaalsContact CD1-CE1 3.49Å; L130-F193 HydrophobicContact CD1-CE2 3.9Å; L130-F193 HydrophobicContact CD1-CG 4.38Å; L130-F193 HydrophobicContact CD1-CZ 3.43Å; L130-F193 VanDerWaalsContact CD1-CZ 3.43Å; L130-F193 HydrophobicContact CG-CE1 4.21Å; M191-F193 HydrophobicContact CB-CE2 3.75Å; M191-F193 HydrophobicContact CB-CZ 4.29Å; M191-F193 HydrophobicContact SD-CZ 4.47Å; F193-I205 HydrophobicContact CB-CD1 3.81Å; F193-I205 HydrophobicContact CD1-CD1 4.02Å; F193-I205 HydrophobicContact CD2-CD1 4.16Å; F193-I205 HydrophobicContact CG-CD1 3.73Å; F193-F238 HydrophobicContact CD2-CE2 4.41Å; F193-F238 HydrophobicContact CD2-CZ 4.25Å; F193-F238 HydrophobicContact CE2-CZ 4.03Å; F193-L285 WeakPolarHBondContact O-CA 3.16Å; F193-F286 HydrophobicContact CB-CB 4.07Å; F193-F286 HydrophobicContact CB-CD2 4.14Å; F193-F286 HydrophobicContact CB-CG 4.41Å; F193-F286 HydrophobicContact CD2-CB 4.4Å; F193-F286 PolarHBondContact N-O 2.85Å; F193-F286 PolarHBondContact O-N 3.02Å; F193-V288 HydrophobicContact CE2-CG1 4.09Å |
| 194 | S | 92.2 | Very high | 86.7 | Confident | 13 Ų | 13 | 66.2 Ų | 66.2 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.8 | 167.3 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | A128 Q129 L131 Q284 | A128-S194 CarbonylContact C-O 3.58Å; A128-S194 WeakPolarHBondContact CA-O 3.48Å; Q129-S194 PolarHBondContact N-O 3.07Å; Q129-S194 PolarHBondContact O-N 2.78Å; L131-S194 WeakPolarHBondContact CD2-OG 3.3Å; L131-S194 WeakPolarHBondContact CG-OG 3.43Å; S194-Q284 WeakPolarHBondContact CA-O 3.33Å |
| 195 | Q | 89.4 | Confident | 87 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 130.2 | 170 | -162 | 176.3 | 26.8 | 0 | 0 | 108.2 | A128 T198 Q284 F286 | A128-Q195 HydrophobicContact CB-CB 3.9Å; A128-Q195 HydrophobicContact CB-CG 4.03Å; Q195-T198 HydrophobicContact CG-CG2 3.76Å; Q195-Q284 PolarHBondContact N-O 2.86Å; Q195-Q284 PolarHBondContact O-N 3.48Å; Q195-F286 HydrophobicContact CB-CE2 3.58Å; Q195-F286 HydrophobicContact CB-CZ 4.22Å; Q195-F286 VanDerWaalsContact OE1-CZ 3.25Å |
| 196 | N | 85.2 | Confident | 87.2 | Confident | 116 Ų | 116 | 58.3 Ų | 58.3 | 62% | 0.62 | 30% | 0.295 | S | S | * | . | trans | -73.1 | 167.7 | 169.3 | -66.7 | -9.6 | 0 | 0 | 0 | 109.4 | T198 | N196-T198 PolarHBondContact O-N 2.96Å; N196-T198 VanDerWaalsContact O-N 3.08Å | ||
| 197 | E | 70 | Confident | 87.4 | Confident | 170 Ų | 170 | 53 Ų | 53 | 79% | 0.794 | 27% | 0.272 | S | S | * | . | trans | -45.4 | 117.2 | -177.5 | -69.4 | -177.7 | 170.2 | 0 | 0 | 112.8 | ||||
| 198 | T | 69.1 | Low | 87.5 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 23% | 0.227 | 27% | 0.27 | C | S | . | . | trans | -98.6 | 151.5 | 172.5 | 49.7 | 0 | 0 | 0 | 0 | 110.6 | Q195 N196 E200 | Q195-T198 HydrophobicContact CG-CG2 3.76Å; N196-T198 PolarHBondContact O-N 2.96Å; N196-T198 VanDerWaalsContact O-N 3.08Å; T198-E200 PolarHBondContact O-N 3.16Å | ||
| 199 | Q | 70.6 | Confident | 87.6 | Confident | 205 Ų | 205 | 52.6 Ų | 52.6 | 96% | 0.958 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -72 | -1.5 | 168.8 | -63.8 | -178.8 | 11.1 | 0 | 0 | 113.1 | ||
| 200 | E | 74.6 | Confident | 87.6 | Confident | 112 Ų | 112 | 52.7 Ų | 52.7 | 52% | 0.523 | 27% | 0.27 | S | S | . | . | trans | -81 | 135.9 | -179.7 | -59.8 | -169.7 | 155.3 | 0 | 0 | 111.3 | T198 F202 | T198-E200 PolarHBondContact O-N 3.16Å; E200-F202 PolarHBondContact O-N 2.73Å | ||
| 201 | D | 79.1 | Confident | 87.5 | Confident | 154 Ų | 154 | 52.9 Ų | 52.9 | 82% | 0.824 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -66.4 | -20.3 | 177.3 | -64.1 | -34.4 | 0 | 0 | 0 | 112.8 | ||
| 202 | F | 80.6 | Confident | 87.4 | Confident | 169 Ų | 169 | 57.1 Ų | 57.1 | 74% | 0.741 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -133.3 | 112.1 | -176.9 | -60.6 | -80 | 0 | 0 | 0 | 111.3 | E200 A204 | E200-F202 PolarHBondContact O-N 2.73Å; F202-A204 PolarHBondContact O-N 3.33Å |
| 203 | S | 86.2 | Confident | 87.5 | Confident | 35 Ų | 35 | 57.4 Ų | 57.4 | 25% | 0.245 | 29% | 0.294 | C | S | . | . | trans | -75.7 | 108.8 | 173.1 | -51.1 | 0 | 0 | 0 | 0 | 110.5 | G240 | S203-G240 PolarHBondContact O-N 3.03Š| ||
| 204 | A | 91.5 | Very high | 87.6 | Confident | 35 Ų | 35 | 59.8 Ų | 59.8 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 145.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | F202 T237 F238 | F202-A204 PolarHBondContact O-N 3.33Å; A204-T237 HydrophobicContact CB-CG2 3.47Å; A204-T237 VanDerWaalsContact CB-CG2 3.47Å; A204-F238 WeakPolarHBondContact CA-O 3.28Å |
| 205 | I | 94.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126.3 | 175.7 | -65.3 | 174.6 | 0 | 0 | 0 | 108.2 | L123 P125 A128 F193 T237 F238 F286 | L123-I205 HydrophobicContact CD2-CG2 4.37Å; P125-I205 HydrophobicContact CB-CD1 4.5Å; A128-I205 HydrophobicContact CB-CD1 3.82Å; A128-I205 HydrophobicContact CB-CG1 4.42Å; F193-I205 HydrophobicContact CB-CD1 3.81Å; F193-I205 HydrophobicContact CD1-CD1 4.02Å; F193-I205 HydrophobicContact CD2-CD1 4.16Å; F193-I205 HydrophobicContact CG-CD1 3.73Å; I205-T237 WeakPolarHBondContact O-CA 3.47Å; I205-T237 WeakPolarHBondContact O-CG2 3.4Å; I205-F238 HydrophobicContact CB-CD2 4.43Å; I205-F238 HydrophobicContact CB-CE1 3.94Å; I205-F238 HydrophobicContact CB-CE2 3.79Å; I205-F238 HydrophobicContact CB-CZ 3.52Å; I205-F238 HydrophobicContact CD1-CE2 4.1Å; I205-F238 HydrophobicContact CD1-CZ 4.13Å; I205-F238 HydrophobicContact CG1-CE2 4.37Å; I205-F238 HydrophobicContact CG1-CZ 4.37Å; I205-F238 HydrophobicContact CG2-CE1 3.79Å; I205-F238 HydrophobicContact CG2-CE2 4.33Å; I205-F238 HydrophobicContact CG2-CZ 3.55Å; I205-F238 PolarHBondContact N-O 3.28Å; I205-F238 WeakPolarHBondContact O-CD1 3.5Å; I205-F238 PolarHBondContact O-N 3.33Å; I205-F286 HydrophobicContact CD1-CB 4.23Å; I205-F286 HydrophobicContact CD1-CD1 3.89Å; I205-F286 HydrophobicContact CD1-CD2 4.03Å; I205-F286 HydrophobicContact CD1-CE1 4.22Å; I205-F286 HydrophobicContact CD1-CE2 4.39Å; I205-F286 HydrophobicContact CD1-CG 3.79Å; I205-F286 HydrophobicContact CD1-CZ 4.45Å; I205-F286 HydrophobicContact CG1-CD1 3.96Å; I205-F286 HydrophobicContact CG1-CE1 3.94Å; I205-F286 HydrophobicContact CG1-CG 4.37Å; I205-F286 HydrophobicContact CG1-CZ 4.35Å |
| 206 | S | 95.1 | Very high | 88 | Confident | 39 Ų | 39 | 61.7 Ų | 61.7 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 153 | 176.7 | -63.1 | 0 | 0 | 0 | 0 | 111 | F124 W236 T237 | F124-S206 PolarHBondContact N-O 3.31Å; S206-W236 CarbonylContact C-O 3.51Å; S206-W236 WeakPolarHBondContact CA-O 3.46Å; S206-T237 PolarHBondContact OG-OG1 3.03Å; S206-T237 VanDerWaalsContact OG-OG1 3.1Å |
| 207 | Y | 96.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 160.6 | 176.2 | 66 | -83.9 | 0 | 0 | 0 | 112.1 | A122 L209 M235 W236 F238 Q265 F290 | A122-Y207 CarbonylContact O-C 3.55Å; A122-Y207 WeakPolarHBondContact O-CA 3.49Å; A122-Y207 WeakPolarHBondContact O-CB 3.3Å; Y207-L209 HydrophobicContact CD2-CD2 4.34Å; Y207-L209 HydrophobicContact CD2-CG 4.29Å; Y207-L209 HydrophobicContact CE2-CD1 4.49Å; Y207-L209 HydrophobicContact CE2-CG 4.38Å; Y207-M235 WeakPolarHBondContact O-CA 3.47Å; Y207-W236 HydrophobicContact CD1-CB 4.23Å; Y207-W236 HydrophobicContact CD2-CB 4.35Å; Y207-W236 HydrophobicContact CD2-CE3 4.3Å; Y207-W236 HydrophobicContact CE1-CB 3.65Å; Y207-W236 HydrophobicContact CE2-CB 3.75Å; Y207-W236 HydrophobicContact CE2-CD2 4.35Å; Y207-W236 AromaticContact CE2-CE3 3.91Å; Y207-W236 HydrophobicContact CE2-CE3 3.91Å; Y207-W236 HydrophobicContact CE2-CG 4.35Å; Y207-W236 VanDerWaalsContact CZ-CB 3.41Å; Y207-W236 PolarHBondContact N-O 3.33Å; Y207-W236 PolarHBondContact O-N 2.99Å; Y207-F238 AromaticContact CD1-CD1 3.57Å; Y207-F238 HydrophobicContact CD1-CD1 3.57Å; Y207-F238 AromaticContact CD1-CE1 3.94Å; Y207-F238 HydrophobicContact CD1-CE1 3.94Å; Y207-F238 AromaticContact CE1-CD1 3.73Å; Y207-F238 HydrophobicContact CE1-CD1 3.73Å; Y207-F238 HydrophobicContact CE1-CE1 4.49Å; Y207-Q265 VanDerWaalsContact OH-CD 3.28Å; Y207-Q265 PolarHBondContact OH-NE2 2.89Å; Y207-Q265 PolarHBondContact OH-OE1 3.48Å; Y207-F290 HydrophobicContact CD1-CZ 4.42Å; Y207-F290 AromaticContact CD2-CE1 3.79Å; Y207-F290 HydrophobicContact CD2-CE1 3.79Å; Y207-F290 AromaticContact CD2-CZ 3.79Å; Y207-F290 HydrophobicContact CD2-CZ 3.79Å; Y207-F290 HydrophobicContact CE1-CZ 4.47Å; Y207-F290 AromaticContact CE2-CE1 3.53Å; Y207-F290 HydrophobicContact CE2-CE1 3.53Å; Y207-F290 AromaticContact CE2-CZ 3.87Å; Y207-F290 HydrophobicContact CE2-CZ 3.87Å; Y207-F290 HydrophobicContact CG-CZ 4.07Å |
| 208 | M | 95.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 146.4 | 175.6 | -179.3 | -179.5 | 62.5 | 0 | 0 | 109.1 | A122 F124 M226 C229 E230 Y233 M235 | A122-M208 HydrophobicContact CB-CB 4.3Å; A122-M208 HydrophobicContact CB-CE 4.05Å; A122-M208 PolarHBondContact N-O 2.83Å; A122-M208 PolarHBondContact O-N 3.22Å; F124-M208 HydrophobicContact CE2-CB 4.07Å; M208-M226 HydrophobicContact CE-CE 3.64Å; M208-C229 HydrophobicContact CE-CB 3.42Å; M208-C229 VanDerWaalsContact CE-CB 3.42Å; M208-C229 HydrophobicContact SD-CB 3.82Å; M208-E230 HydrophobicContact SD-CB 4.35Å; M208-Y233 HydrophobicContact SD-CD2 4.45Å; M208-M235 HydrophobicContact CB-SD 3.64Å; M208-M235 HydrophobicContact CG-SD 4.27Å; M208-M235 HydrophobicContact SD-SD 4.38Å |
| 209 | L | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 131.1 | 175.8 | -59 | 176.5 | 0 | 0 | 0 | 109.6 | G120 I121 Y207 W236 M248 F263 F290 | G120-L209 WeakPolarHBondContact O-CA 3.05Å; I121-L209 HydrophobicContact CB-CD2 4.13Å; I121-L209 HydrophobicContact CG1-CD2 3.76Å; I121-L209 HydrophobicContact CG2-CD2 3.98Å; Y207-L209 HydrophobicContact CD2-CD2 4.34Å; Y207-L209 HydrophobicContact CD2-CG 4.29Å; Y207-L209 HydrophobicContact CE2-CD1 4.49Å; Y207-L209 HydrophobicContact CE2-CG 4.38Å; L209-W236 HydrophobicContact CB-CZ3 4.17Å; L209-W236 HydrophobicContact CD1-CZ3 4.14Å; L209-W236 HydrophobicContact CG-CE3 4.5Å; L209-W236 HydrophobicContact CG-CZ3 4.09Å; L209-M248 HydrophobicContact CD1-CB 4.39Å; L209-F263 HydrophobicContact CB-CB 4.16Å; L209-F263 HydrophobicContact CB-CD1 4.05Å; L209-F263 HydrophobicContact CB-CD2 3.65Å; L209-F263 HydrophobicContact CB-CE1 4.32Å; L209-F263 HydrophobicContact CB-CE2 3.99Å; L209-F263 HydrophobicContact CB-CG 3.69Å; L209-F263 HydrophobicContact CB-CZ 4.3Å; L209-F263 HydrophobicContact CD1-CB 3.98Å; L209-F263 HydrophobicContact CD1-CD1 3.89Å; L209-F263 HydrophobicContact CD1-CG 3.99Å; L209-F290 HydrophobicContact CD2-CD1 4.34Å; L209-F290 HydrophobicContact CD2-CE1 4.06Å |
| 210 | F | 95.1 | Very high | 92 | Very high | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 155.3 | 170.7 | 62.5 | -90.7 | 0 | 0 | 0 | 111.3 | P119 G120 A122 V176 K212 L216 F225 M226 Y233 | P119-F210 WeakPolarHBondContact CA-O 3.03Å; G120-F210 PolarHBondContact N-O 2.87Å; G120-F210 WeakPolarHBondContact O-CD1 3.44Å; G120-F210 PolarHBondContact O-N 3.38Å; A122-F210 HydrophobicContact CB-CE1 4.35Å; V176-F210 HydrophobicContact CG1-CE1 3.66Å; V176-F210 HydrophobicContact CG1-CZ 3.7Å; F210-K212 VanDerWaalsContact CD2-O 3.31Å; F210-K212 WeakPolarHBondContact CD2-O 3.36Å; F210-K212 WeakPolarHBondContact CE2-O 3.2Å; F210-K212 PolarHBondContact O-N 2.79Å; F210-L216 HydrophobicContact CE2-CB 3.95Å; F210-L216 HydrophobicContact CZ-CB 3.85Å; F210-L216 HydrophobicContact CZ-CD2 4.03Å; F210-L216 HydrophobicContact CZ-CG 4.5Å; F210-F225 AromaticContact CD2-CE1 3.9Å; F210-F225 HydrophobicContact CD2-CE1 3.9Å; F210-F225 AromaticContact CD2-CZ 3.84Å; F210-F225 HydrophobicContact CD2-CZ 3.84Å; F210-F225 HydrophobicContact CE1-CE1 4.48Å; F210-F225 AromaticContact CE2-CE1 3.7Å; F210-F225 HydrophobicContact CE2-CE1 3.7Å; F210-F225 AromaticContact CE2-CZ 3.92Å; F210-F225 HydrophobicContact CE2-CZ 3.92Å; F210-F225 HydrophobicContact CG-CE1 4.36Å; F210-F225 HydrophobicContact CZ-CE1 4Å; F210-M226 HydrophobicContact CE1-SD 4.27Å; F210-Y233 HydrophobicContact CB-CD2 3.94Å; F210-Y233 HydrophobicContact CB-CE2 3.56Å |
| 211 | A | 92.7 | Very high | 93 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 13% | 0.132 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -61.7 | -37.2 | -159.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | V261 | A211-V261 HydrophobicContact CB-CB 4.29Å; A211-V261 HydrophobicContact CB-CG1 3.84Å; A211-V261 HydrophobicContact CB-CG2 4.37Å |
| 212 | K | 94.6 | Very high | 93.8 | Very high | 88 Ų | 88 | 48.6 Ų | 48.6 | 38% | 0.383 | 27% | 0.273 | S | S | . | . | trans | -142.1 | 121.7 | -173.7 | -62.6 | 179.8 | 179.3 | 175.7 | 0 | 110.4 | P118 F210 S214 D215 | P118-K212 CarbonylContact O-C 3.57Å; P118-K212 WeakPolarHBondContact O-CA 3.16Å; F210-K212 VanDerWaalsContact CD2-O 3.31Å; F210-K212 WeakPolarHBondContact CD2-O 3.36Å; F210-K212 WeakPolarHBondContact CE2-O 3.2Å; F210-K212 PolarHBondContact O-N 2.79Å; K212-S214 VanDerWaalsContact C-N 3.25Å; K212-S214 PolarHBondContact O-N 3.34Å; K212-D215 HydrophobicContact CB-CB 4.35Å; K212-D215 WeakPolarHBondContact CD-OD1 3.38Å; K212-D215 PolarHBondContact O-N 3.1Å | ||
| 213 | F | 96.1 | Very high | 94.4 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62 | -34.8 | 173.9 | -177.2 | -100.6 | 0 | 0 | 0 | 112.2 | P118 E156 V176 R178 D215 L216 I217 | P118-F213 PolarHBondContact O-N 3.19Å; E156-F213 HydrophobicContact CG-CE1 3.99Å; E156-F213 HydrophobicContact CG-CZ 4.2Å; V176-F213 HydrophobicContact CB-CE2 4.46Å; V176-F213 HydrophobicContact CG1-CD2 4.03Å; V176-F213 HydrophobicContact CG1-CE2 3.88Å; R178-F213 HydrophobicContact CB-CD1 3.96Å; R178-F213 HydrophobicContact CB-CD2 4.2Å; R178-F213 HydrophobicContact CB-CE1 4.12Å; R178-F213 HydrophobicContact CB-CE2 4.35Å; R178-F213 HydrophobicContact CB-CG 3.99Å; R178-F213 HydrophobicContact CB-CZ 4.31Å; R178-F213 HydrophobicContact CG-CB 4.38Å; R178-F213 HydrophobicContact CG-CD1 4.11Å; R178-F213 HydrophobicContact CG-CG 4.21Å; F213-D215 PolarHBondContact O-N 3.48Å; F213-L216 WeakPolarHBondContact O-CB 3.38Å; F213-L216 PolarHBondContact O-N 3.38Å; F213-L216 VanDerWaalsContact O-N 3.1Å; F213-I217 HydrophobicContact CD1-CG1 3.9Å; F213-I217 HydrophobicContact CE1-CD1 3.7Å; F213-I217 HydrophobicContact CE1-CG1 3.51Å; F213-I217 HydrophobicContact CZ-CD1 3.78Å; F213-I217 HydrophobicContact CZ-CG1 4.08Å; F213-I217 PolarHBondContact O-N 2.88Å |
| 214 | S | 95.8 | Very high | 94.8 | Very high | 49 Ų | 49 | 45.4 Ų | 45.4 | 34% | 0.343 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.6 | -36.3 | 176.5 | 56 | 0 | 0 | 0 | 0 | 112.9 | K212 L216 I217 E218 | K212-S214 VanDerWaalsContact C-N 3.25Å; K212-S214 PolarHBondContact O-N 3.34Å; S214-L216 PolarHBondContact O-N 2.89Å; S214-I217 PolarHBondContact O-N 3.46Å; S214-E218 WeakPolarHBondContact O-CB 3.12Å; S214-E218 WeakPolarHBondContact O-CG 3.43Å; S214-E218 PolarHBondContact O-N 3.17Å |
| 215 | D | 94.6 | Very high | 94.9 | Very high | 62 Ų | 62 | 45.8 Ų | 45.8 | 33% | 0.332 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.8 | -30.8 | -178.5 | -63.2 | -1.2 | 0 | 0 | 0 | 111.2 | K212 F213 S219 F225 | K212-D215 HydrophobicContact CB-CB 4.35Å; K212-D215 WeakPolarHBondContact CD-OD1 3.38Å; K212-D215 PolarHBondContact O-N 3.1Å; F213-D215 PolarHBondContact O-N 3.48Å; D215-S219 VanDerWaalsContact O-CB 3.28Å; D215-S219 WeakPolarHBondContact O-CB 3.31Å; D215-S219 PolarHBondContact O-N 3Å; D215-F225 HydrophobicContact CB-CE2 3.79Å; D215-F225 HydrophobicContact CB-CZ 3.88Å |
| 216 | L | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.4 | -45.2 | 172.5 | 175.7 | 68.4 | 0 | 0 | 0 | 111.5 | T158 V160 V176 F210 F213 S214 E218 S219 K222 F225 M226 | T158-L216 HydrophobicContact CG2-CD2 4.41Å; V160-L216 HydrophobicContact CG2-CD1 4.32Å; V160-L216 HydrophobicContact CG2-CD2 4.42Å; V176-L216 HydrophobicContact CB-CD2 3.84Å; V176-L216 HydrophobicContact CG1-CD2 3.76Å; V176-L216 HydrophobicContact CG2-CD2 3.88Å; F210-L216 HydrophobicContact CE2-CB 3.95Å; F210-L216 HydrophobicContact CZ-CB 3.85Å; F210-L216 HydrophobicContact CZ-CD2 4.03Å; F210-L216 HydrophobicContact CZ-CG 4.5Å; F213-L216 WeakPolarHBondContact O-CB 3.38Å; F213-L216 PolarHBondContact O-N 3.38Å; F213-L216 VanDerWaalsContact O-N 3.1Å; S214-L216 PolarHBondContact O-N 2.89Å; L216-E218 VanDerWaalsContact C-N 3.35Å; L216-S219 PolarHBondContact O-N 2.96Å; L216-S219 PolarHBondContact O-OG 3.27Å; L216-K222 HydrophobicContact CD1-CB 3.93Å; L216-K222 HydrophobicContact CD1-CG 4.05Å; L216-F225 HydrophobicContact CB-CD1 4.14Å; L216-F225 HydrophobicContact CB-CE1 3.84Å; L216-F225 HydrophobicContact CB-CZ 4.46Å; L216-F225 HydrophobicContact CD1-CD1 3.56Å; L216-F225 HydrophobicContact CD1-CE1 4.08Å; L216-F225 HydrophobicContact CD1-CG 4.35Å; L216-F225 HydrophobicContact CG-CD1 4.47Å; L216-M226 HydrophobicContact CD1-CG 4.14Å; L216-M226 HydrophobicContact CD1-SD 4.14Å |
| 217 | I | 95.8 | Very high | 94.9 | Very high | 67 Ų | 67 | 48.3 Ų | 48.3 | 34% | 0.344 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | -177.1 | -60.1 | -55.5 | 0 | 0 | 0 | 111.3 | T158 F213 S214 S219 | T158-I217 WeakPolarHBondContact OG1-CD1 3.13Å; F213-I217 HydrophobicContact CD1-CG1 3.9Å; F213-I217 HydrophobicContact CE1-CD1 3.7Å; F213-I217 HydrophobicContact CE1-CG1 3.51Å; F213-I217 HydrophobicContact CZ-CD1 3.78Å; F213-I217 HydrophobicContact CZ-CG1 4.08Å; F213-I217 PolarHBondContact O-N 2.88Å; S214-I217 PolarHBondContact O-N 3.46Å; I217-S219 VanDerWaalsContact C-N 3.33Å |
| 218 | E | 95.1 | Very high | 94.7 | Very high | 156 Ų | 156 | 51.5 Ų | 51.5 | 73% | 0.729 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -80.9 | -12.9 | 179.3 | -65.6 | 174.2 | -165.8 | 0 | 0 | 112.9 | S214 L216 A220 | S214-E218 WeakPolarHBondContact O-CB 3.12Å; S214-E218 WeakPolarHBondContact O-CG 3.43Å; S214-E218 PolarHBondContact O-N 3.17Å; L216-E218 VanDerWaalsContact C-N 3.35Å; E218-A220 PolarHBondContact O-N 3.45Å |
| 219 | S | 94.6 | Very high | 94.5 | Very high | 26 Ų | 26 | 51.7 Ų | 51.7 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | trans | -65 | 133.5 | 178.5 | 71.6 | 0 | 0 | 0 | 0 | 111.9 | D215 L216 I217 N221 | D215-S219 VanDerWaalsContact O-CB 3.28Å; D215-S219 WeakPolarHBondContact O-CB 3.31Å; D215-S219 PolarHBondContact O-N 3Å; L216-S219 PolarHBondContact O-N 2.96Å; L216-S219 PolarHBondContact O-OG 3.27Å; I217-S219 VanDerWaalsContact C-N 3.33Å; S219-N221 VanDerWaalsContact C-N 3.26Å; S219-N221 PolarHBondContact O-N 3.04Å | ||
| 220 | A | 92.9 | Very high | 94.3 | Very high | 117 Ų | 117 | 52.3 Ų | 52.3 | 97% | 0.967 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -65 | -31.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E218 | E218-A220 PolarHBondContact O-N 3.45Š|
| 221 | N | 95.1 | Very high | 94.1 | Very high | 76 Ų | 76 | 58.8 Ų | 58.8 | 41% | 0.406 | 31% | 0.306 | S | S | . | . | trans | -132.3 | 95.7 | 179.1 | -173.2 | -7.6 | 0 | 0 | 0 | 110.9 | S219 S223 E224 F225 | S219-N221 VanDerWaalsContact C-N 3.26Å; S219-N221 PolarHBondContact O-N 3.04Å; N221-S223 VanDerWaalsContact C-N 3.29Å; N221-S223 PolarHBondContact O-N 3.35Å; N221-S223 PolarHBondContact OD1-N 3.21Å; N221-E224 HydrophobicContact CB-CB 4.05Å; N221-E224 WeakPolarHBondContact ND2-CB 3.37Å; N221-E224 PolarHBondContact ND2-OE2 2.82Å; N221-E224 PolarHBondContact O-N 3.4Å; N221-E224 PolarHBondContact OD1-N 3.26Å; N221-F225 PolarHBondContact O-N 3.21Å | ||
| 222 | K | 95.3 | Very high | 94 | Very high | 76 Ų | 76 | 64 Ų | 64 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.5 | -38 | -179.5 | -63.3 | -175.9 | -179.3 | -174.9 | 0 | 112.7 | T158 V160 L216 F225 M226 | T158-K222 HydrophobicContact CG2-CD 4.22Å; V160-K222 HydrophobicContact CG1-CB 4.03Å; V160-K222 HydrophobicContact CG2-CB 4.12Å; V160-K222 HydrophobicContact CG2-CD 4.38Å; L216-K222 HydrophobicContact CD1-CB 3.93Å; L216-K222 HydrophobicContact CD1-CG 4.05Å; K222-F225 PolarHBondContact O-N 3.02Å; K222-M226 WeakPolarHBondContact O-CB 3.34Å; K222-M226 VanDerWaalsContact O-CG 3.3Å; K222-M226 WeakPolarHBondContact O-CG 3.48Å; K222-M226 PolarHBondContact O-N 3.18Å |
| 223 | S | 93.9 | Very high | 93.8 | Very high | 48 Ų | 48 | 62.2 Ų | 62.2 | 34% | 0.336 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.3 | -38.7 | -178.7 | -59.2 | 0 | 0 | 0 | 0 | 112 | T161 N221 R227 | T161-S223 PolarHBondContact O-OG 3.2Å; N221-S223 VanDerWaalsContact C-N 3.29Å; N221-S223 PolarHBondContact O-N 3.35Å; N221-S223 PolarHBondContact OD1-N 3.21Å; S223-R227 WeakPolarHBondContact O-CB 3.44Å; S223-R227 PolarHBondContact O-N 2.89Å; S223-R227 VanDerWaalsContact O-N 3.1Å |
| 224 | E | 94 | Very high | 93.4 | Very high | 89 Ų | 89 | 64.5 Ų | 64.5 | 42% | 0.416 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.3 | -43.8 | 175 | 177.8 | 160.2 | -138.5 | 0 | 0 | 111.7 | N221 M226 R227 D228 | N221-E224 HydrophobicContact CB-CB 4.05Å; N221-E224 WeakPolarHBondContact ND2-CB 3.37Å; N221-E224 PolarHBondContact ND2-OE2 2.82Å; N221-E224 PolarHBondContact O-N 3.4Å; N221-E224 PolarHBondContact OD1-N 3.26Å; E224-M226 VanDerWaalsContact C-N 3.33Å; E224-M226 PolarHBondContact O-N 3.4Å; E224-R227 WeakPolarHBondContact O-CB 3.35Å; E224-R227 PolarHBondContact O-N 3.28Å; E224-R227 IonicContact OE1-NH2 3.21Å; E224-R227 PolarHBondContact OE1-NH2 3.36Å; E224-D228 PolarHBondContact O-N 3.34Å |
| 225 | F | 95 | Very high | 93.3 | Very high | 44 Ų | 44 | 65.5 Ų | 65.5 | 19% | 0.193 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -55.3 | -47.5 | 173.9 | 177.5 | -89.3 | 0 | 0 | 0 | 111.9 | F210 D215 L216 N221 K222 R227 D228 C229 | F210-F225 AromaticContact CD2-CE1 3.9Å; F210-F225 HydrophobicContact CD2-CE1 3.9Å; F210-F225 AromaticContact CD2-CZ 3.84Å; F210-F225 HydrophobicContact CD2-CZ 3.84Å; F210-F225 HydrophobicContact CE1-CE1 4.48Å; F210-F225 AromaticContact CE2-CE1 3.7Å; F210-F225 HydrophobicContact CE2-CE1 3.7Å; F210-F225 AromaticContact CE2-CZ 3.92Å; F210-F225 HydrophobicContact CE2-CZ 3.92Å; F210-F225 HydrophobicContact CG-CE1 4.36Å; F210-F225 HydrophobicContact CZ-CE1 4Å; D215-F225 HydrophobicContact CB-CE2 3.79Å; D215-F225 HydrophobicContact CB-CZ 3.88Å; L216-F225 HydrophobicContact CB-CD1 4.14Å; L216-F225 HydrophobicContact CB-CE1 3.84Å; L216-F225 HydrophobicContact CB-CZ 4.46Å; L216-F225 HydrophobicContact CD1-CD1 3.56Å; L216-F225 HydrophobicContact CD1-CE1 4.08Å; L216-F225 HydrophobicContact CD1-CG 4.35Å; L216-F225 HydrophobicContact CG-CD1 4.47Å; N221-F225 PolarHBondContact O-N 3.21Å; K222-F225 PolarHBondContact O-N 3.02Å; F225-R227 VanDerWaalsContact C-N 3.35Å; F225-R227 PolarHBondContact O-N 2.88Å; F225-D228 PolarHBondContact O-N 3.26Å; F225-C229 WeakPolarHBondContact CE1-SG 3.3Å; F225-C229 WeakPolarHBondContact O-CB 3.38Å; F225-C229 PolarHBondContact O-N 3.17Å; F225-C229 PolarHBondContact O-SG 2.87Å |
| 226 | M | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64 | -38.9 | 178.5 | -73.8 | -55.4 | -63.8 | 0 | 0 | 112.6 | A122 V160 Y162 A174 V176 M208 F210 L216 K222 E224 D228 C229 E230 | A122-M226 HydrophobicContact CB-CE 3.5Å; V160-M226 HydrophobicContact CB-CG 4.11Å; V160-M226 HydrophobicContact CG1-CB 4.43Å; V160-M226 HydrophobicContact CG1-CG 3.8Å; V160-M226 HydrophobicContact CG2-CG 4.39Å; Y162-M226 HydrophobicContact CD1-CB 3.73Å; Y162-M226 HydrophobicContact CD1-CG 4.46Å; Y162-M226 HydrophobicContact CD2-CB 4.33Å; Y162-M226 HydrophobicContact CE1-CB 3.81Å; Y162-M226 HydrophobicContact CE1-CE 4.3Å; Y162-M226 HydrophobicContact CE2-CB 4.4Å; Y162-M226 HydrophobicContact CG-CB 4.02Å; A174-M226 HydrophobicContact CB-CE 4Å; V176-M226 HydrophobicContact CG2-CE 4.06Å; V176-M226 HydrophobicContact CG2-SD 4.08Å; M208-M226 HydrophobicContact CE-CE 3.64Å; F210-M226 HydrophobicContact CE1-SD 4.27Å; L216-M226 HydrophobicContact CD1-CG 4.14Å; L216-M226 HydrophobicContact CD1-SD 4.14Å; K222-M226 WeakPolarHBondContact O-CB 3.34Å; K222-M226 VanDerWaalsContact O-CG 3.3Å; K222-M226 WeakPolarHBondContact O-CG 3.48Å; K222-M226 PolarHBondContact O-N 3.18Å; E224-M226 VanDerWaalsContact C-N 3.33Å; E224-M226 PolarHBondContact O-N 3.4Å; M226-D228 VanDerWaalsContact C-N 3.33Å; M226-D228 PolarHBondContact O-N 3.46Å; M226-C229 PolarHBondContact O-N 3.42Å; M226-E230 PolarHBondContact O-N 3.31Å |
| 227 | R | 93.2 | Very high | 93.3 | Very high | 92 Ų | 92 | 68.7 Ų | 68.7 | 35% | 0.347 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 175.5 | -174.3 | -174.6 | 67.4 | -170 | -5.6 | 111.8 | Y162 P165 S223 E224 F225 R231 | Y162-R227 HydrophobicContact CD2-CB 4.05Å; Y162-R227 HydrophobicContact CE2-CB 4.46Å; P165-R227 HydrophobicContact CB-CG 4.01Å; P165-R227 HydrophobicContact CG-CG 4.48Å; S223-R227 WeakPolarHBondContact O-CB 3.44Å; S223-R227 PolarHBondContact O-N 2.89Å; S223-R227 VanDerWaalsContact O-N 3.1Å; E224-R227 WeakPolarHBondContact O-CB 3.35Å; E224-R227 PolarHBondContact O-N 3.28Å; E224-R227 IonicContact OE1-NH2 3.21Å; E224-R227 PolarHBondContact OE1-NH2 3.36Å; F225-R227 VanDerWaalsContact C-N 3.35Å; F225-R227 PolarHBondContact O-N 2.88Å; R227-R231 PolarHBondContact O-N 3.3Å |
| 228 | D | 92.6 | Very high | 93.2 | Very high | 67 Ų | 67 | 65.7 Ų | 65.7 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -73.4 | -34.4 | 178.5 | -69.6 | -9.1 | 0 | 0 | 0 | 111.6 | E224 F225 M226 R231 N232 | E224-D228 PolarHBondContact O-N 3.34Å; F225-D228 PolarHBondContact O-N 3.26Å; M226-D228 VanDerWaalsContact C-N 3.33Å; M226-D228 PolarHBondContact O-N 3.46Å; D228-R231 PolarHBondContact O-N 3.35Å; D228-N232 PolarHBondContact O-N 3.22Å; D228-N232 PolarHBondContact O-ND2 3.03Å |
| 229 | C | 92.7 | Very high | 93 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.034 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 171.3 | -70.8 | 0 | 0 | 0 | 0 | 111.4 | M208 F225 M226 R231 N232 Y233 | M208-C229 HydrophobicContact CE-CB 3.42Å; M208-C229 VanDerWaalsContact CE-CB 3.42Å; M208-C229 HydrophobicContact SD-CB 3.82Å; F225-C229 WeakPolarHBondContact CE1-SG 3.3Å; F225-C229 WeakPolarHBondContact O-CB 3.38Å; F225-C229 PolarHBondContact O-N 3.17Å; F225-C229 PolarHBondContact O-SG 2.87Å; M226-C229 PolarHBondContact O-N 3.42Å; C229-R231 PolarHBondContact O-N 3.33Å; C229-N232 PolarHBondContact O-N 3.1Å; C229-Y233 HydrophobicContact CB-CD2 3.74Å; C229-Y233 HydrophobicContact CB-CE2 4.05Å; C229-Y233 WeakPolarHBondContact O-CB 3.49Å; C229-Y233 VanDerWaalsContact O-CD2 3.3Å; C229-Y233 WeakPolarHBondContact O-CD2 3.3Å; C229-Y233 PolarHBondContact O-N 3.47Å |
| 230 | E | 92.1 | Very high | 92.8 | Very high | 12 Ų | 12 | 60.3 Ų | 60.3 | 6% | 0.056 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.9 | -25.5 | 178.6 | -173.6 | 178.6 | 164.3 | 0 | 0 | 112.8 | Y162 P165 F166 K172 M208 M226 | Y162-E230 WeakPolarHBondContact CE2-OE2 3.46Å; Y162-E230 VanDerWaalsContact CZ-OE2 3.28Å; Y162-E230 PolarHBondContact OH-OE2 3.04Å; P165-E230 VanDerWaalsContact CD-OE2 3.3Å; P165-E230 WeakPolarHBondContact CD-OE2 3.5Å; P165-E230 HydrophobicContact CG-CB 3.98Å; P165-E230 HydrophobicContact CG-CG 3.92Å; F166-E230 HydrophobicContact CE2-CG 4.22Å; K172-E230 IonicContact NZ-OE1 3.65Å; K172-E230 PolarHBondContact NZ-OE1 3.29Å; K172-E230 IonicContact NZ-OE2 2.98Å; M208-E230 HydrophobicContact SD-CB 4.35Å; M226-E230 PolarHBondContact O-N 3.31Å |
| 231 | R | 90.1 | Very high | 92.4 | Very high | 137 Ų | 137 | 55.7 Ų | 55.7 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.8 | -33.5 | 173.3 | -70.6 | 178 | -179.9 | -95 | -6.1 | 113 | P165 R227 D228 C229 | P165-R231 HydrophobicContact CB-CG 3.43Å; P165-R231 VanDerWaalsContact CB-CG 3.43Å; P165-R231 VanDerWaalsContact CB-NE 3.3Å; P165-R231 HydrophobicContact CG-CG 3.67Å; R227-R231 PolarHBondContact O-N 3.3Å; D228-R231 PolarHBondContact O-N 3.35Å; C229-R231 PolarHBondContact O-N 3.33Å |
| 232 | N | 89.4 | Confident | 92.2 | Very high | 126 Ų | 126 | 56.1 Ų | 56.1 | 67% | 0.674 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -103.8 | -28.8 | -166.5 | -67.8 | -25.8 | 0 | 0 | 0 | 113.4 | D228 C229 | D228-N232 PolarHBondContact O-N 3.22Å; D228-N232 PolarHBondContact O-ND2 3.03Å; C229-N232 PolarHBondContact O-N 3.1Å |
| 233 | Y | 90.4 | Very high | 92.1 | Very high | 51 Ų | 51 | 55.5 Ų | 55.5 | 20% | 0.2 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -105.3 | 152.1 | -177.2 | -60.7 | -71.2 | 0 | 0 | 0 | 111.7 | M208 F210 C229 V261 | M208-Y233 HydrophobicContact SD-CD2 4.45Å; F210-Y233 HydrophobicContact CB-CD2 3.94Å; F210-Y233 HydrophobicContact CB-CE2 3.56Å; C229-Y233 HydrophobicContact CB-CD2 3.74Å; C229-Y233 HydrophobicContact CB-CE2 4.05Å; C229-Y233 WeakPolarHBondContact O-CB 3.49Å; C229-Y233 VanDerWaalsContact O-CD2 3.3Å; C229-Y233 WeakPolarHBondContact O-CD2 3.3Å; C229-Y233 PolarHBondContact O-N 3.47Å; Y233-V261 WeakPolarHBondContact CD1-O 3.34Å; Y233-V261 HydrophobicContact CE1-CB 4.29Å; Y233-V261 WeakPolarHBondContact CE1-O 3.11Å |
| 234 | S | 89.1 | Confident | 92.2 | Very high | 54 Ų | 54 | 53.5 Ų | 53.5 | 38% | 0.378 | 27% | 0.265 | S | S | . | . | trans | -75.4 | 147.1 | 175.1 | -67.3 | 0 | 0 | 0 | 0 | 111.3 | W236 | S234-W236 VanDerWaalsContact O-CZ3 3.25Å; S234-W236 WeakPolarHBondContact O-CZ3 3.38Å | ||
| 235 | M | 92.2 | Very high | 92.3 | Very high | 70 Ų | 70 | 52.3 Ų | 52.3 | 35% | 0.345 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 140.6 | 173.8 | -66.3 | -78.7 | -56.1 | 0 | 0 | 109.3 | F124 Y207 M208 | F124-M235 HydrophobicContact CD2-CE 3.36Å; F124-M235 HydrophobicContact CD2-SD 4.31Å; F124-M235 HydrophobicContact CE2-CE 3.29Å; F124-M235 HydrophobicContact CE2-SD 3.62Å; F124-M235 HydrophobicContact CG-CE 4.23Å; F124-M235 HydrophobicContact CZ-CE 4.1Å; F124-M235 HydrophobicContact CZ-SD 4.19Å; Y207-M235 WeakPolarHBondContact O-CA 3.47Å; M208-M235 HydrophobicContact CB-SD 3.64Å; M208-M235 HydrophobicContact CG-SD 4.27Å; M208-M235 HydrophobicContact SD-SD 4.38Å |
| 236 | W | 95.4 | Very high | 92.4 | Very high | 53 Ų | 53 | 50.2 Ų | 50.2 | 20% | 0.201 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 171.3 | 174.3 | -62.9 | -79 | 0 | 0 | 0 | 110.5 | S206 Y207 L209 S234 F263 Q265 | S206-W236 CarbonylContact C-O 3.51Å; S206-W236 WeakPolarHBondContact CA-O 3.46Å; Y207-W236 HydrophobicContact CD1-CB 4.23Å; Y207-W236 HydrophobicContact CD2-CB 4.35Å; Y207-W236 HydrophobicContact CD2-CE3 4.3Å; Y207-W236 HydrophobicContact CE1-CB 3.65Å; Y207-W236 HydrophobicContact CE2-CB 3.75Å; Y207-W236 HydrophobicContact CE2-CD2 4.35Å; Y207-W236 AromaticContact CE2-CE3 3.91Å; Y207-W236 HydrophobicContact CE2-CE3 3.91Å; Y207-W236 HydrophobicContact CE2-CG 4.35Å; Y207-W236 VanDerWaalsContact CZ-CB 3.41Å; Y207-W236 PolarHBondContact N-O 3.33Å; Y207-W236 PolarHBondContact O-N 2.99Å; L209-W236 HydrophobicContact CB-CZ3 4.17Å; L209-W236 HydrophobicContact CD1-CZ3 4.14Å; L209-W236 HydrophobicContact CG-CE3 4.5Å; L209-W236 HydrophobicContact CG-CZ3 4.09Å; S234-W236 VanDerWaalsContact O-CZ3 3.25Å; S234-W236 WeakPolarHBondContact O-CZ3 3.38Å; W236-F263 HydrophobicContact CH2-CB 3.86Å; W236-F263 WeakPolarHBondContact CH2-O 3.43Å; W236-F263 WeakPolarHBondContact CZ2-O 3.38Å; W236-F263 HydrophobicContact CZ3-CB 4.36Å; W236-Q265 VanDerWaalsContact CD2-CD 3.41Å; W236-Q265 HydrophobicContact CD2-CG 4.21Å; W236-Q265 HydrophobicContact CG-CG 4.34Å; W236-Q265 HydrophobicContact CZ2-CG 4.25Å |
| 237 | T | 94.9 | Very high | 92.4 | Very high | 77 Ų | 77 | 54.2 Ų | 54.2 | 47% | 0.472 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 141.3 | -176.2 | -50.6 | 0 | 0 | 0 | 0 | 109.8 | A204 I205 S206 | A204-T237 HydrophobicContact CB-CG2 3.47Å; A204-T237 VanDerWaalsContact CB-CG2 3.47Å; I205-T237 WeakPolarHBondContact O-CA 3.47Å; I205-T237 WeakPolarHBondContact O-CG2 3.4Å; S206-T237 PolarHBondContact OG-OG1 3.03Å; S206-T237 VanDerWaalsContact OG-OG1 3.1Å |
| 238 | F | 94.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 1% | 0.013 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 147.2 | 168.6 | 60.9 | -90.6 | 0 | 0 | 0 | 111 | L123 F193 A204 I205 Y207 T244 F286 V288 | L123-F238 HydrophobicContact CD2-CE1 3.65Å; L123-F238 HydrophobicContact CD2-CZ 3.92Å; F193-F238 HydrophobicContact CD2-CE2 4.41Å; F193-F238 HydrophobicContact CD2-CZ 4.25Å; F193-F238 HydrophobicContact CE2-CZ 4.03Å; A204-F238 WeakPolarHBondContact CA-O 3.28Å; I205-F238 HydrophobicContact CB-CD2 4.43Å; I205-F238 HydrophobicContact CB-CE1 3.94Å; I205-F238 HydrophobicContact CB-CE2 3.79Å; I205-F238 HydrophobicContact CB-CZ 3.52Å; I205-F238 HydrophobicContact CD1-CE2 4.1Å; I205-F238 HydrophobicContact CD1-CZ 4.13Å; I205-F238 HydrophobicContact CG1-CE2 4.37Å; I205-F238 HydrophobicContact CG1-CZ 4.37Å; I205-F238 HydrophobicContact CG2-CE1 3.79Å; I205-F238 HydrophobicContact CG2-CE2 4.33Å; I205-F238 HydrophobicContact CG2-CZ 3.55Å; I205-F238 PolarHBondContact N-O 3.28Å; I205-F238 WeakPolarHBondContact O-CD1 3.5Å; I205-F238 PolarHBondContact O-N 3.33Å; Y207-F238 AromaticContact CD1-CD1 3.57Å; Y207-F238 HydrophobicContact CD1-CD1 3.57Å; Y207-F238 AromaticContact CD1-CE1 3.94Å; Y207-F238 HydrophobicContact CD1-CE1 3.94Å; Y207-F238 AromaticContact CE1-CD1 3.73Å; Y207-F238 HydrophobicContact CE1-CD1 3.73Å; Y207-F238 HydrophobicContact CE1-CE1 4.49Å; F238-T244 HydrophobicContact CB-CG2 3.95Å; F238-F286 HydrophobicContact CD2-CB 4.32Å; F238-F286 HydrophobicContact CD2-CD1 4.33Å; F238-F286 HydrophobicContact CE2-CB 3.78Å; F238-F286 HydrophobicContact CE2-CD1 4.18Å; F238-F286 HydrophobicContact CE2-CG 4.39Å; F238-V288 HydrophobicContact CD1-CB 4.33Å; F238-V288 HydrophobicContact CD1-CG2 4.13Å; F238-V288 HydrophobicContact CD2-CB 4.25Å; F238-V288 HydrophobicContact CE1-CB 4.24Å; F238-V288 HydrophobicContact CE1-CG1 4.14Å; F238-V288 HydrophobicContact CE1-CG2 4.32Å; F238-V288 HydrophobicContact CE2-CB 4.14Å; F238-V288 HydrophobicContact CE2-CG1 4.26Å; F238-V288 HydrophobicContact CG-CB 4.34Å; F238-V288 HydrophobicContact CG-CG2 4.36Å; F238-V288 HydrophobicContact CZ-CB 4.13Å; F238-V288 HydrophobicContact CZ-CG1 3.88Å |
| 239 | S | 91.5 | Very high | 92.6 | Very high | 63 Ų | 63 | 46.7 Ų | 46.7 | 44% | 0.441 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 148.1 | -175.3 | -53.9 | 0 | 0 | 0 | 0 | 112 | ||
| 240 | G | 88.9 | Confident | 92.7 | Very high | 7 Ų | 7 | 47 Ų | 47 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 158.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.4 | S203 F242 F286 | S203-G240 PolarHBondContact O-N 3.03Å; G240-F242 VanDerWaalsContact O-CD2 3.28Å; G240-F242 WeakPolarHBondContact O-CD2 3.42Å; G240-F242 PolarHBondContact O-N 3.23Å; G240-F286 VanDerWaalsContact CA-CE1 3.44Å; G240-F286 VanDerWaalsContact N-CD1 3.31Å |
| 241 | G | 85.6 | Confident | 92.8 | Very high | 20 Ų | 20 | 46.6 Ų | 46.6 | 21% | 0.206 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | -0.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F272 L285 | G241-F272 WeakPolarHBondContact O-CB 3.14Å; G241-F272 PolarHBondContact O-N 3.43Å; G241-F272 VanDerWaalsContact O-N 3.17Å; G241-L285 PolarHBondContact N-O 3.34Å |
| 242 | F | 91 | Very high | 92.8 | Very high | 85 Ų | 85 | 43.2 Ų | 43.2 | 37% | 0.373 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 155.6 | 174.5 | -57 | -90.5 | 0 | 0 | 0 | 110.5 | G240 V269 V270 K271 | G240-F242 VanDerWaalsContact O-CD2 3.28Å; G240-F242 WeakPolarHBondContact O-CD2 3.42Å; G240-F242 PolarHBondContact O-N 3.23Å; F242-V269 HydrophobicContact CB-CG1 3.4Å; F242-V269 VanDerWaalsContact CB-CG1 3.4Å; F242-V269 HydrophobicContact CD1-CG1 3.63Å; F242-V269 HydrophobicContact CD2-CG1 4.48Å; F242-V269 HydrophobicContact CG-CG1 3.59Å; F242-V270 CarbonylContact C-O 3.57Å; F242-V270 WeakPolarHBondContact CA-O 3.39Å; F242-K271 HydrophobicContact CD1-CB 4.2Å; F242-K271 HydrophobicContact CE1-CB 4.22Å; F242-K271 HydrophobicContact CE1-CG 4.44Å |
| 243 | R | 93.4 | Very high | 92.8 | Very high | 62 Ų | 62 | 39 Ų | 39 | 23% | 0.234 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 114.8 | 161.7 | 177.9 | 175.8 | 161.8 | 174.3 | -3.9 | 108.9 | V270 F287 | R243-V270 PolarHBondContact N-O 2.9Å; R243-V270 PolarHBondContact O-N 3.44Å; R243-F287 WeakPolarHBondContact CA-O 3.43Å; R243-F287 HydrophobicContact CB-CB 4.03Å; R243-F287 HydrophobicContact CG-CB 4.26Å |
| 244 | T | 96.3 | Very high | 92.5 | Very high | 7 Ų | 7 | 38.1 Ų | 38.1 | 4% | 0.043 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 118.4 | 176.4 | -56.6 | 0 | 0 | 0 | 0 | 109.4 | F238 V246 G268 F287 V288 V289 | F238-T244 HydrophobicContact CB-CG2 3.95Å; T244-V246 HydrophobicContact CG2-CG2 3.94Å; T244-G268 CarbonylContact C-O 3.6Å; T244-F287 PolarHBondContact N-O 3.38Å; T244-V288 CarbonylContact O-C 3.56Å; T244-V288 VanDerWaalsContact O-CA 3.3Å; T244-V288 WeakPolarHBondContact O-CA 3.23Å; T244-V289 PolarHBondContact O-N 2.96Å |
| 245 | W | 95.3 | Very high | 91.7 | Very high | 63 Ų | 63 | 37.7 Ų | 37.7 | 24% | 0.239 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 112.4 | 174.6 | -149.1 | -51.6 | 0 | 0 | 0 | 109.2 | I141 L188 S267 G268 V289 E291 | I141-W245 HydrophobicContact CD1-CH2 4.41Å; L188-W245 HydrophobicContact CD2-CZ2 3.98Å; W245-S267 CarbonylContact O-C 3.54Å; W245-S267 VanDerWaalsContact O-CA 3.27Å; W245-S267 WeakPolarHBondContact O-CA 3.33Å; W245-G268 PolarHBondContact N-O 2.97Å; W245-G268 PolarHBondContact O-N 3.27Å; W245-V289 HydrophobicContact CD2-CB 4.19Å; W245-V289 HydrophobicContact CD2-CG1 4.17Å; W245-V289 HydrophobicContact CD2-CG2 4.48Å; W245-V289 HydrophobicContact CG-CB 4.1Å; W245-V289 HydrophobicContact CG-CG1 4.28Å; W245-V289 HydrophobicContact CZ2-CG1 4.16Å; W245-E291 PolarHBondContact NE1-OE2 3.3Å |
| 246 | V | 96.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 109.5 | -177 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | T244 Q265 V288 V289 F290 E291 | T244-V246 HydrophobicContact CG2-CG2 3.94Å; V246-Q265 HydrophobicContact CG1-CB 4.05Å; V246-V288 HydrophobicContact CG2-CG2 3.96Å; V246-V289 PolarHBondContact N-O 3.26Å; V246-F290 HydrophobicContact CB-CD1 3.7Å; V246-F290 HydrophobicContact CB-CE1 3.91Å; V246-F290 HydrophobicContact CB-CG 4.31Å; V246-F290 HydrophobicContact CG1-CD1 3.76Å; V246-F290 HydrophobicContact CG1-CE1 3.82Å; V246-F290 HydrophobicContact CG2-CD1 4.26Å; V246-F290 HydrophobicContact CG2-CE1 4.01Å; V246-F290 HydrophobicContact CG2-CZ 4.37Å; V246-F290 WeakPolarHBondContact O-CA 3.42Å; V246-E291 PolarHBondContact O-N 3.49Å |
| 247 | K | 95.6 | Very high | 88.9 | Confident | 84 Ų | 84 | 51 Ų | 51 | 37% | 0.365 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 113.1 | 171.7 | -51.2 | -161.3 | 178.2 | -135.2 | 0 | 108.9 | Q265 E266 E291 R293 | K247-Q265 CarbonylContact O-C 3.55Å; K247-Q265 VanDerWaalsContact O-CA 3.31Å; K247-Q265 WeakPolarHBondContact O-CA 3.38Å; K247-E266 HydrophobicContact CB-CB 4.45Å; K247-E266 PolarHBondContact N-O 3.19Å; K247-E266 PolarHBondContact O-N 3.26Å; K247-E291 CarbonylContact C-O 3.59Å; K247-E291 WeakPolarHBondContact CA-O 3.37Å; K247-E291 HydrophobicContact CB-CG 4.37Å; K247-E291 WeakPolarHBondContact CD-OE1 3.45Å; K247-E291 WeakPolarHBondContact CE-OE1 3.33Å; K247-E291 HydrophobicContact CG-CG 3.96Å; K247-E291 WeakPolarHBondContact CG-OE1 3.28Å; K247-E291 IonicContact NZ-OE1 3.7Å; K247-E291 PolarHBondContact NZ-OE1 3.31Å; K247-R293 HydrophobicContact CB-CB 3.88Å; K247-R293 HydrophobicContact CB-CG 4.14Å; K247-R293 HydrophobicContact CD-CG 4.41Å |
| 248 | M | 95.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 147.6 | -178.2 | 47.7 | 174 | 172.1 | 0 | 0 | 112 | P119 P180 L209 F263 R264 F290 E291 W292 R293 | P119-M248 HydrophobicContact CG-CE 3.92Å; P119-M248 HydrophobicContact CG-SD 3.9Å; P180-M248 HydrophobicContact CG-CE 3.26Å; L209-M248 HydrophobicContact CD1-CB 4.39Å; M248-F263 HydrophobicContact CB-CD1 4.26Å; M248-F263 HydrophobicContact SD-CD1 4.49Å; M248-F263 HydrophobicContact SD-CE1 4.27Å; M248-R264 CarbonylContact C-O 3.53Å; M248-R264 WeakPolarHBondContact CA-O 3.42Å; M248-F290 HydrophobicContact CE-CB 4.37Å; M248-E291 WeakPolarHBondContact CG-O 3.42Å; M248-E291 PolarHBondContact N-O 2.87Å; M248-W292 HydrophobicContact CB-CE3 4.42Å; M248-W292 HydrophobicContact CB-CZ3 4.42Å; M248-W292 HydrophobicContact CE-CD2 3.99Å; M248-W292 HydrophobicContact CE-CG 4.25Å; M248-W292 HydrophobicContact CE-CZ2 4.23Å; M248-W292 HydrophobicContact CG-CD2 4.12Å; M248-W292 HydrophobicContact CG-CE3 3.82Å; M248-W292 HydrophobicContact CG-CZ3 4.09Å; M248-W292 HydrophobicContact SD-CD2 4.29Å; M248-W292 HydrophobicContact SD-CE3 4.27Å; M248-W292 HydrophobicContact SD-CH2 4.17Å; M248-W292 HydrophobicContact SD-CZ2 4.18Å; M248-W292 HydrophobicContact SD-CZ3 4.19Å; M248-R293 PolarHBondContact O-N 3.41Å |
| 249 | S | 94.7 | Very high | 87.1 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 143.9 | 171.2 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | F263 R264 R293 D294 | S249-F263 WeakPolarHBondContact O-CA 3.39Å; S249-R264 PolarHBondContact N-O 2.92Å; S249-R264 PolarHBondContact O-N 3.49Å; S249-R293 PolarHBondContact OG-NH2 3.4Å; S249-D294 PolarHBondContact OG-OD1 3.29Å |
| 250 | L | 94 | Very high | 86.9 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 126.3 | -173.4 | -167.5 | 66.9 | 0 | 0 | 0 | 111 | F116 V261 F263 W292 I297 Q298 | F116-L250 HydrophobicContact CD1-CB 4.41Å; F116-L250 HydrophobicContact CD1-CD2 4.3Å; F116-L250 HydrophobicContact CE1-CB 3.98Å; F116-L250 HydrophobicContact CE1-CD2 4.5Å; L250-V261 HydrophobicContact CD1-CG1 3.35Å; L250-V261 HydrophobicContact CG-CG1 4.09Å; L250-F263 HydrophobicContact CD1-CD1 4.11Å; L250-F263 HydrophobicContact CD1-CD2 4.11Å; L250-F263 HydrophobicContact CD1-CE1 3.76Å; L250-F263 HydrophobicContact CD1-CE2 3.72Å; L250-F263 HydrophobicContact CD1-CG 4.29Å; L250-F263 HydrophobicContact CD1-CZ 3.54Å; L250-W292 HydrophobicContact CB-CH2 4.27Å; L250-W292 HydrophobicContact CB-CZ3 4Å; L250-I297 HydrophobicContact CD2-CD1 4.39Å; L250-I297 HydrophobicContact CD2-CG1 4.46Å; L250-Q298 PolarHBondContact O-N 3.01Å |
| 251 | V | 93.3 | Very high | 87 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.2 | 173.5 | -173.2 | 0 | 0 | 0 | 0 | 109 | V261 E262 R264 Q298 I300 | V251-V261 WeakPolarHBondContact O-CA 3.37Å; V251-E262 HydrophobicContact CB-CB 4.47Å; V251-E262 PolarHBondContact N-O 2.94Å; V251-E262 PolarHBondContact O-N 3.43Å; V251-R264 HydrophobicContact CG2-CG 3.69Å; V251-Q298 CarbonylContact C-O 3.6Å; V251-Q298 WeakPolarHBondContact CA-O 3.24Å; V251-Q298 HydrophobicContact CB-CB 4.49Å; V251-Q298 HydrophobicContact CG1-CB 4.38Å; V251-Q298 HydrophobicContact CG1-CG 4.35Å; V251-Q298 HydrophobicContact CG2-CB 4.13Å; V251-I300 HydrophobicContact CG1-CD1 3.45Å; V251-I300 VanDerWaalsContact CG1-CD1 3.45Å; V251-I300 HydrophobicContact CG1-CG1 3.89Å |
| 252 | K | 91.9 | Very high | 87.2 | Confident | 67 Ų | 67 | 62.3 Ų | 62.3 | 29% | 0.291 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 118.8 | 173.8 | -66 | -171 | -179.3 | -179.8 | 0 | 109.2 | V261 I297 Q298 E299 I300 | K252-V261 HydrophobicContact CG-CG2 4.4Å; K252-I297 HydrophobicContact CB-CG2 4.42Å; K252-I297 HydrophobicContact CD-CG2 3.88Å; K252-I297 HydrophobicContact CG-CG2 3.86Å; K252-Q298 PolarHBondContact N-O 3.49Å; K252-E299 CarbonylContact O-C 3.47Å; K252-E299 WeakPolarHBondContact O-CA 3.46Å; K252-I300 PolarHBondContact O-N 3.38Å |
| 253 | T | 89.2 | Confident | 87.4 | Confident | 38 Ų | 38 | 58.4 Ų | 58.4 | 23% | 0.233 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 111.8 | 178.2 | -58.1 | 0 | 0 | 0 | 0 | 109.1 | M106 G255 E259 A260 I300 | M106-T253 HydrophobicContact CE-CG2 4.27Å; T253-G255 PolarHBondContact O-N 3.3Å; T253-E259 WeakPolarHBondContact O-CA 3.41Å; T253-A260 PolarHBondContact N-O 3.35Å; T253-A260 PolarHBondContact O-N 3.45Å; T253-I300 WeakPolarHBondContact CA-O 3.45Å; T253-I300 HydrophobicContact CG2-CB 4.25Å; T253-I300 HydrophobicContact CG2-CG2 4.2Å |
| 254 | S | 84.3 | Confident | 87.4 | Confident | 32 Ų | 32 | 61.6 Ų | 61.6 | 22% | 0.224 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 103.3 | 174.7 | 68.6 | 0 | 0 | 0 | 0 | 109.2 | M106 I300 R301 | M106-S254 WeakPolarHBondContact CE-O 3.44Å; S254-I300 PolarHBondContact N-O 2.85Å; S254-I300 PolarHBondContact OG-O 3.46Å; S254-R301 WeakPolarHBondContact OG-CA 3.48Å; S254-R301 WeakPolarHBondContact OG-CB 3.5Å; S254-R301 WeakPolarHBondContact OG-CG 3.43Å |
| 255 | G | 72 | Confident | 87.2 | Confident | 45 Ų | 45 | 63.3 Ų | 63.3 | 46% | 0.464 | 31% | 0.308 | S | S | . | . | trans | -91 | -170.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T253 R257 S258 | T253-G255 PolarHBondContact O-N 3.3Å; G255-R257 VanDerWaalsContact C-N 3.27Å; G255-R257 PolarHBondContact O-N 2.88Å; G255-S258 WeakPolarHBondContact CA-O 3.5Å; G255-S258 PolarHBondContact N-O 3.38Å | ||
| 256 | R | 64.1 | Low | 87.2 | Confident | 175 Ų | 175 | 65.1 Ų | 65.1 | 66% | 0.66 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -59.5 | -28.8 | -176.1 | -172.4 | 178.8 | 177.1 | -171.3 | 0.3 | 114.7 | N99 | N99-R256 PolarHBondContact O-NE 3.46Š|
| 257 | R | 63.7 | Low | 87.1 | Confident | 228 Ų | 228 | 68.8 Ų | 68.8 | 86% | 0.86 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -149.1 | -21.4 | -175 | -68.8 | -172 | 178.1 | 175.9 | -2.3 | 114.2 | G255 | G255-R257 VanDerWaalsContact C-N 3.27Å; G255-R257 PolarHBondContact O-N 2.88Å |
| 258 | S | 69.9 | Low | 87 | Confident | 85 Ų | 85 | 66.4 Ų | 66.4 | 59% | 0.594 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -132.5 | 147.6 | 179.7 | 55.1 | 0 | 0 | 0 | 0 | 110.1 | G255 | G255-S258 WeakPolarHBondContact CA-O 3.5Å; G255-S258 PolarHBondContact N-O 3.38Å |
| 259 | E | 82.9 | Confident | 86.9 | Confident | 144 Ų | 144 | 70.6 Ų | 70.6 | 67% | 0.673 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 121.6 | 163.5 | -63.5 | -176.5 | 174.1 | 0 | 0 | 107.3 | T253 | T253-E259 WeakPolarHBondContact O-CA 3.41Å |
| 260 | A | 86.7 | Confident | 86.8 | Confident | 54 Ų | 54 | 74.9 Ų | 74.9 | 45% | 0.446 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 140.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | T253 | T253-A260 PolarHBondContact N-O 3.35Å; T253-A260 PolarHBondContact O-N 3.45Å |
| 261 | V | 90.3 | Very high | 86.7 | Confident | 27 Ų | 27 | 81.4 Ų | 81.4 | 16% | 0.164 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 136.2 | 176.5 | -175.9 | 0 | 0 | 0 | 0 | 108 | A211 Y233 L250 V251 K252 | A211-V261 HydrophobicContact CB-CB 4.29Å; A211-V261 HydrophobicContact CB-CG1 3.84Å; A211-V261 HydrophobicContact CB-CG2 4.37Å; Y233-V261 WeakPolarHBondContact CD1-O 3.34Å; Y233-V261 HydrophobicContact CE1-CB 4.29Å; Y233-V261 WeakPolarHBondContact CE1-O 3.11Å; L250-V261 HydrophobicContact CD1-CG1 3.35Å; L250-V261 HydrophobicContact CG-CG1 4.09Å; V251-V261 WeakPolarHBondContact O-CA 3.37Å; K252-V261 HydrophobicContact CG-CG2 4.4Å |
| 262 | E | 91.6 | Very high | 86.5 | Confident | 97 Ų | 97 | 83.1 Ų | 83.1 | 45% | 0.453 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 143.9 | 178.6 | -172.4 | 177.4 | -174.6 | 0 | 0 | 109.2 | V251 | V251-E262 HydrophobicContact CB-CB 4.47Å; V251-E262 PolarHBondContact N-O 2.94Å; V251-E262 PolarHBondContact O-N 3.43Å |
| 263 | F | 94.1 | Very high | 86.3 | Confident | 3 Ų | 3 | 85.3 Ų | 85.3 | 1% | 0.013 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.4 | 172.5 | -74.7 | -100 | 0 | 0 | 0 | 109.4 | P119 L209 W236 M248 S249 L250 W292 | P119-F263 HydrophobicContact CB-CE1 3.94Å; P119-F263 HydrophobicContact CB-CZ 3.74Å; L209-F263 HydrophobicContact CB-CB 4.16Å; L209-F263 HydrophobicContact CB-CD1 4.05Å; L209-F263 HydrophobicContact CB-CD2 3.65Å; L209-F263 HydrophobicContact CB-CE1 4.32Å; L209-F263 HydrophobicContact CB-CE2 3.99Å; L209-F263 HydrophobicContact CB-CG 3.69Å; L209-F263 HydrophobicContact CB-CZ 4.3Å; L209-F263 HydrophobicContact CD1-CB 3.98Å; L209-F263 HydrophobicContact CD1-CD1 3.89Å; L209-F263 HydrophobicContact CD1-CG 3.99Å; W236-F263 HydrophobicContact CH2-CB 3.86Å; W236-F263 WeakPolarHBondContact CH2-O 3.43Å; W236-F263 WeakPolarHBondContact CZ2-O 3.38Å; W236-F263 HydrophobicContact CZ3-CB 4.36Å; M248-F263 HydrophobicContact CB-CD1 4.26Å; M248-F263 HydrophobicContact SD-CD1 4.49Å; M248-F263 HydrophobicContact SD-CE1 4.27Å; S249-F263 WeakPolarHBondContact O-CA 3.39Å; L250-F263 HydrophobicContact CD1-CD1 4.11Å; L250-F263 HydrophobicContact CD1-CD2 4.11Å; L250-F263 HydrophobicContact CD1-CE1 3.76Å; L250-F263 HydrophobicContact CD1-CE2 3.72Å; L250-F263 HydrophobicContact CD1-CG 4.29Å; L250-F263 HydrophobicContact CD1-CZ 3.54Å; F263-W292 HydrophobicContact CD1-CH2 4.46Å; F263-W292 AromaticContact CE1-CH2 3.64Å; F263-W292 HydrophobicContact CE1-CH2 3.64Å; F263-W292 HydrophobicContact CE1-CZ3 4.11Å; F263-W292 HydrophobicContact CZ-CH2 4.44Å |
| 264 | R | 93.6 | Very high | 86.1 | Confident | 129 Ų | 129 | 86 Ų | 86 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 133.5 | 165 | -67.5 | -177.6 | 71.5 | -174.8 | 4.2 | 107.8 | M248 S249 V251 | M248-R264 CarbonylContact C-O 3.53Å; M248-R264 WeakPolarHBondContact CA-O 3.42Å; S249-R264 PolarHBondContact N-O 2.92Å; S249-R264 PolarHBondContact O-N 3.49Å; V251-R264 HydrophobicContact CG2-CG 3.69Å |
| 265 | Q | 92.9 | Very high | 86.2 | Confident | 43 Ų | 43 | 93.9 Ų | 93.9 | 20% | 0.201 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 145.3 | -179.8 | 63 | 173.1 | 50.4 | 0 | 0 | 112.2 | Y207 W236 V246 K247 | Y207-Q265 VanDerWaalsContact OH-CD 3.28Å; Y207-Q265 PolarHBondContact OH-NE2 2.89Å; Y207-Q265 PolarHBondContact OH-OE1 3.48Å; W236-Q265 VanDerWaalsContact CD2-CD 3.41Å; W236-Q265 HydrophobicContact CD2-CG 4.21Å; W236-Q265 HydrophobicContact CG-CG 4.34Å; W236-Q265 HydrophobicContact CZ2-CG 4.25Å; V246-Q265 HydrophobicContact CG1-CB 4.05Å; K247-Q265 CarbonylContact O-C 3.55Å; K247-Q265 VanDerWaalsContact O-CA 3.31Å; K247-Q265 WeakPolarHBondContact O-CA 3.38Å |
| 266 | E | 94.8 | Very high | 86.9 | Confident | 100 Ų | 100 | 93.1 Ų | 93.1 | 47% | 0.467 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.5 | 167.2 | -70.7 | 173.5 | -170.1 | 0 | 0 | 107.7 | K247 R293 | K247-E266 HydrophobicContact CB-CB 4.45Å; K247-E266 PolarHBondContact N-O 3.19Å; K247-E266 PolarHBondContact O-N 3.26Å; E266-R293 IonicContact OE1-CZ 2.67Å; E266-R293 IonicContact OE1-NH1 3.24Å; E266-R293 PolarHBondContact OE1-NH1 2.99Å; E266-R293 WeakPolarHBondContact OE2-CD 3.37Å |
| 267 | S | 93.7 | Very high | 87.9 | Confident | 77 Ų | 77 | 87.3 Ų | 87.3 | 54% | 0.538 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 129.5 | -179.8 | 52.6 | 0 | 0 | 0 | 0 | 111.5 | W245 | W245-S267 CarbonylContact O-C 3.54Å; W245-S267 VanDerWaalsContact O-CA 3.27Å; W245-S267 WeakPolarHBondContact O-CA 3.33Å |
| 268 | G | 93.9 | Very high | 88.9 | Confident | 35 Ų | 35 | 84.5 Ų | 84.5 | 36% | 0.361 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 135.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | T244 W245 | T244-G268 CarbonylContact C-O 3.6Å; W245-G268 PolarHBondContact N-O 2.97Å; W245-G268 PolarHBondContact O-N 3.27Å |
| 269 | V | 94.3 | Very high | 89.4 | Confident | 88 Ų | 88 | 84.9 Ų | 84.9 | 53% | 0.533 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 130 | -177.4 | -174 | 0 | 0 | 0 | 0 | 109.5 | F242 | F242-V269 HydrophobicContact CB-CG1 3.4Å; F242-V269 VanDerWaalsContact CB-CG1 3.4Å; F242-V269 HydrophobicContact CD1-CG1 3.63Å; F242-V269 HydrophobicContact CD2-CG1 4.48Å; F242-V269 HydrophobicContact CG-CG1 3.59Å |
| 270 | V | 91.4 | Very high | 89.3 | Confident | 92 Ų | 92 | 82.9 Ų | 82.9 | 56% | 0.558 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 132.3 | 177.6 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | F242 R243 F272 | F242-V270 CarbonylContact C-O 3.57Å; F242-V270 WeakPolarHBondContact CA-O 3.39Å; R243-V270 PolarHBondContact N-O 2.9Å; R243-V270 PolarHBondContact O-N 3.44Å; V270-F272 PolarHBondContact O-N 3.17Å |
| 271 | K | 91.6 | Very high | 89 | Confident | 147 Ų | 147 | 84.6 Ų | 84.6 | 64% | 0.639 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 131.2 | 177.6 | -176.1 | 177.7 | 177.9 | -179.3 | 0 | 110.6 | F242 | F242-K271 HydrophobicContact CD1-CB 4.2Å; F242-K271 HydrophobicContact CE1-CB 4.22Å; F242-K271 HydrophobicContact CE1-CG 4.44Å |
| 272 | F | 88.8 | Confident | 88.6 | Confident | 39 Ų | 39 | 87.1 Ų | 87.1 | 17% | 0.171 | 45% | 0.451 | C | S | . | . | trans | -81 | 118.6 | 167.6 | 176.6 | -116 | 0 | 0 | 0 | 108.8 | L144 P147 G241 V270 D274 L285 F287 | L144-F272 HydrophobicContact CD1-CD2 4.23Å; L144-F272 HydrophobicContact CD1-CE2 3.66Å; P147-F272 HydrophobicContact CB-CZ 4.07Å; P147-F272 HydrophobicContact CG-CZ 4.05Å; G241-F272 WeakPolarHBondContact O-CB 3.14Å; G241-F272 PolarHBondContact O-N 3.43Å; G241-F272 VanDerWaalsContact O-N 3.17Å; V270-F272 PolarHBondContact O-N 3.17Å; F272-D274 HydrophobicContact CD1-CB 3.97Å; F272-D274 HydrophobicContact CE1-CB 3.65Å; F272-D274 PolarHBondContact O-N 2.89Å; F272-L285 HydrophobicContact CE1-CD1 4.31Å; F272-F287 HydrophobicContact CB-CD2 4.26Å; F272-F287 HydrophobicContact CB-CE2 4.08Å; F272-F287 AromaticContact CD1-CE2 3.56Å; F272-F287 HydrophobicContact CD1-CE2 3.56Å; F272-F287 HydrophobicContact CD1-CZ 4.15Å; F272-F287 HydrophobicContact CD2-CD2 4.41Å; F272-F287 AromaticContact CD2-CE2 3.8Å; F272-F287 HydrophobicContact CD2-CE2 3.8Å; F272-F287 HydrophobicContact CD2-CZ 4.09Å; F272-F287 AromaticContact CE1-CE2 3.84Å; F272-F287 HydrophobicContact CE1-CE2 3.84Å; F272-F287 AromaticContact CE1-CZ 3.95Å; F272-F287 HydrophobicContact CE1-CZ 3.95Å; F272-F287 HydrophobicContact CE2-CE2 4.09Å; F272-F287 AromaticContact CE2-CZ 3.92Å; F272-F287 HydrophobicContact CE2-CZ 3.92Å; F272-F287 HydrophobicContact CG-CD2 4.15Å; F272-F287 AromaticContact CG-CE2 3.53Å; F272-F287 HydrophobicContact CG-CE2 3.53Å; F272-F287 HydrophobicContact CG-CZ 4.21Å; F272-F287 HydrophobicContact CZ-CE2 4.1Å; F272-F287 AromaticContact CZ-CZ 3.84Å; F272-F287 HydrophobicContact CZ-CZ 3.84Å | ||
| 273 | N | 87.6 | Confident | 88.3 | Confident | 113 Ų | 113 | 84.1 Ų | 84.1 | 60% | 0.604 | 44% | 0.439 | S | S | * | . | trans | -85.9 | 92.8 | 172.9 | -67.9 | -31.6 | 0 | 0 | 0 | 107.9 | K275 | N273-K275 PolarHBondContact O-N 3.46Š| ||
| 274 | D | 86.4 | Confident | 88.1 | Confident | 52 Ų | 52 | 87.2 Ų | 87.2 | 28% | 0.278 | 45% | 0.454 | S | S | . | . | trans | -65.9 | 119.1 | 178.6 | -160.3 | -14.6 | 0 | 0 | 0 | 110.2 | F272 R276 | F272-D274 HydrophobicContact CD1-CB 3.97Å; F272-D274 HydrophobicContact CE1-CB 3.65Å; F272-D274 PolarHBondContact O-N 2.89Å; D274-R276 WeakPolarHBondContact OD1-CB 3.29Å; D274-R276 WeakPolarHBondContact OD1-CG 3.28Å; D274-R276 PolarHBondContact OD1-N 3.18Å; D274-R276 IonicContact OD1-NE 2.64Å; D274-R276 PolarHBondContact OD1-NE 3.26Å; D274-R276 IonicContact OD2-CZ 3Å; D274-R276 VanDerWaalsContact OD2-CZ 3.28Å; D274-R276 IonicContact OD2-NE 3.28Å; D274-R276 PolarHBondContact OD2-NE 3.31Å; D274-R276 IonicContact OD2-NH2 3Å; D274-R276 PolarHBondContact OD2-NH2 3.38Å | ||
| 275 | K | 86.7 | Confident | 88 | Confident | 199 Ų | 199 | 81.2 Ų | 81.2 | 87% | 0.865 | 43% | 0.431 | S | S | * | . | trans | -105 | 2.6 | 178.5 | -65.4 | -176.1 | -179.2 | 179.5 | 0 | 112.3 | N273 | N273-K275 PolarHBondContact O-N 3.46Š| ||
| 276 | R | 86.1 | Confident | 88 | Confident | 29 Ų | 29 | 79.2 Ų | 79.2 | 11% | 0.109 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -66.4 | 162.5 | 179.5 | -63.6 | 178.8 | -61.3 | 159.9 | 3.1 | 110.9 | P147 D274 E280 Q281 V283 L285 | P147-R276 HydrophobicContact CG-CG 4.08Å; P147-R276 WeakPolarHBondContact O-CD 3.46Å; D274-R276 WeakPolarHBondContact OD1-CB 3.29Å; D274-R276 WeakPolarHBondContact OD1-CG 3.28Å; D274-R276 PolarHBondContact OD1-N 3.18Å; D274-R276 IonicContact OD1-NE 2.64Å; D274-R276 PolarHBondContact OD1-NE 3.26Å; D274-R276 IonicContact OD2-CZ 3Å; D274-R276 VanDerWaalsContact OD2-CZ 3.28Å; D274-R276 IonicContact OD2-NE 3.28Å; D274-R276 PolarHBondContact OD2-NE 3.31Å; D274-R276 IonicContact OD2-NH2 3Å; D274-R276 PolarHBondContact OD2-NH2 3.38Å; R276-E280 HydrophobicContact CB-CB 4.02Å; R276-E280 PolarHBondContact NH1-O 2.84Å; R276-E280 PolarHBondContact NH2-O 2.94Å; R276-Q281 PolarHBondContact O-NE2 2.93Å; R276-V283 PolarHBondContact NH2-O 2.97Å; R276-L285 VanDerWaalsContact CZ-CD1 3.45Å |
| 277 | S | 85.5 | Confident | 88 | Confident | 52 Ų | 52 | 74.5 Ų | 74.5 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | trans | -63.3 | 152.4 | 175 | 63 | 0 | 0 | 0 | 0 | 111.4 | S279 E280 Q281 | S277-S279 PolarHBondContact O-N 2.99Å; S277-S279 VanDerWaalsContact O-N 3.1Å; S277-S279 PolarHBondContact OG-OG 3.25Å; S277-E280 PolarHBondContact N-OE2 3.3Å; S277-E280 VanDerWaalsContact N-OE2 3.16Å; S277-E280 PolarHBondContact O-N 2.92Å; S277-E280 WeakPolarHBondContact OG-CG 3.35Å; S277-E280 PolarHBondContact OG-OE2 3.47Å; S277-Q281 WeakPolarHBondContact O-CG 3.3Å; S277-Q281 PolarHBondContact O-N 2.89Å | ||
| 278 | E | 83.2 | Confident | 88.1 | Confident | 170 Ų | 170 | 70.9 Ų | 70.9 | 79% | 0.794 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -31 | -179.5 | -68.3 | -176.3 | 172.6 | 0 | 0 | 112.6 | E280 Q281 | E278-E280 VanDerWaalsContact C-N 3.29Å; E278-E280 PolarHBondContact O-N 3.36Å; E278-Q281 PolarHBondContact O-N 3.44Å |
| 279 | S | 81.6 | Confident | 88.2 | Confident | 92 Ų | 92 | 69.2 Ų | 69.2 | 64% | 0.643 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -28.1 | 174.9 | 38.9 | 0 | 0 | 0 | 0 | 114.4 | S277 T282 | S277-S279 PolarHBondContact O-N 2.99Å; S277-S279 VanDerWaalsContact O-N 3.1Å; S277-S279 PolarHBondContact OG-OG 3.25Å; S279-T282 PolarHBondContact O-OG1 3.46Å |
| 280 | E | 80.9 | Confident | 88.3 | Confident | 102 Ų | 102 | 65 Ų | 65 | 48% | 0.477 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -13.4 | -178.6 | -66.5 | 166 | 142.8 | 0 | 0 | 112.6 | R276 S277 E278 T282 | R276-E280 HydrophobicContact CB-CB 4.02Å; R276-E280 PolarHBondContact NH1-O 2.84Å; R276-E280 PolarHBondContact NH2-O 2.94Å; S277-E280 PolarHBondContact N-OE2 3.3Å; S277-E280 VanDerWaalsContact N-OE2 3.16Å; S277-E280 PolarHBondContact O-N 2.92Å; S277-E280 WeakPolarHBondContact OG-CG 3.35Å; S277-E280 PolarHBondContact OG-OE2 3.47Å; E278-E280 VanDerWaalsContact C-N 3.29Å; E278-E280 PolarHBondContact O-N 3.36Å; E280-T282 PolarHBondContact O-N 3.19Å |
| 281 | Q | 79.9 | Confident | 88.5 | Confident | 90 Ų | 90 | 61.2 Ų | 61.2 | 42% | 0.421 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -4.7 | 179.2 | -70.9 | 178.9 | 28.5 | 0 | 0 | 113.6 | R276 S277 E278 V283 | R276-Q281 PolarHBondContact O-NE2 2.93Å; S277-Q281 WeakPolarHBondContact O-CG 3.3Å; S277-Q281 PolarHBondContact O-N 2.89Å; E278-Q281 PolarHBondContact O-N 3.44Å; Q281-V283 PolarHBondContact O-N 2.96Å |
| 282 | T | 81.4 | Confident | 88.7 | Confident | 80 Ų | 80 | 55 Ų | 55 | 49% | 0.491 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -24.2 | 172.9 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | S279 E280 | S279-T282 PolarHBondContact O-OG1 3.46Å; E280-T282 PolarHBondContact O-N 3.19Å |
| 283 | V | 86.7 | Confident | 88.9 | Confident | 34 Ų | 34 | 56.9 Ų | 56.9 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -93.5 | 121.3 | 177.8 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | R276 Q281 L285 | R276-V283 PolarHBondContact NH2-O 2.97Å; Q281-V283 PolarHBondContact O-N 2.96Å; V283-L285 HydrophobicContact CG1-CD2 4.41Å |
| 284 | Q | 88.5 | Confident | 89 | Confident | 68 Ų | 68 | 52.9 Ų | 52.9 | 32% | 0.318 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 128.5 | 177.5 | -172.1 | 66.3 | 0.7 | 0 | 0 | 110.2 | S194 Q195 F286 | S194-Q284 WeakPolarHBondContact CA-O 3.33Å; Q195-Q284 PolarHBondContact N-O 2.86Å; Q195-Q284 PolarHBondContact O-N 3.48Å; Q284-F286 HydrophobicContact CB-CE2 4.44Å; Q284-F286 HydrophobicContact CG-CE2 4.09Å; Q284-F286 HydrophobicContact CG-CZ 4.25Å |
| 285 | L | 91.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 145.5 | 176.7 | -60 | -176.4 | 0 | 0 | 0 | 111.7 | L131 P147 F193 G241 F272 R276 V283 F287 | L131-L285 HydrophobicContact CD1-CD2 4.07Å; P147-L285 HydrophobicContact CB-CD1 3.87Å; F193-L285 WeakPolarHBondContact O-CA 3.16Å; G241-L285 PolarHBondContact N-O 3.34Å; F272-L285 HydrophobicContact CE1-CD1 4.31Å; R276-L285 VanDerWaalsContact CZ-CD1 3.45Å; V283-L285 HydrophobicContact CG1-CD2 4.41Å; L285-F287 HydrophobicContact CB-CD2 4.48Å; L285-F287 HydrophobicContact CB-CE2 3.59Å; L285-F287 HydrophobicContact CB-CZ 3.72Å; L285-F287 HydrophobicContact CD1-CE2 4.32Å; L285-F287 HydrophobicContact CD1-CZ 3.73Å; L285-F287 HydrophobicContact CG-CZ 4.39Å |
| 286 | F | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 140.5 | 174.1 | -50.3 | -113.4 | 0 | 0 | 0 | 109.6 | Q192 F193 Q195 I205 F238 G240 Q284 | Q192-F286 CarbonylContact C-O 3.59Å; Q192-F286 WeakPolarHBondContact CA-O 3.32Å; F193-F286 HydrophobicContact CB-CB 4.07Å; F193-F286 HydrophobicContact CB-CD2 4.14Å; F193-F286 HydrophobicContact CB-CG 4.41Å; F193-F286 HydrophobicContact CD2-CB 4.4Å; F193-F286 PolarHBondContact N-O 2.85Å; F193-F286 PolarHBondContact O-N 3.02Å; Q195-F286 HydrophobicContact CB-CE2 3.58Å; Q195-F286 HydrophobicContact CB-CZ 4.22Å; Q195-F286 VanDerWaalsContact OE1-CZ 3.25Å; I205-F286 HydrophobicContact CD1-CB 4.23Å; I205-F286 HydrophobicContact CD1-CD1 3.89Å; I205-F286 HydrophobicContact CD1-CD2 4.03Å; I205-F286 HydrophobicContact CD1-CE1 4.22Å; I205-F286 HydrophobicContact CD1-CE2 4.39Å; I205-F286 HydrophobicContact CD1-CG 3.79Å; I205-F286 HydrophobicContact CD1-CZ 4.45Å; I205-F286 HydrophobicContact CG1-CD1 3.96Å; I205-F286 HydrophobicContact CG1-CE1 3.94Å; I205-F286 HydrophobicContact CG1-CG 4.37Å; I205-F286 HydrophobicContact CG1-CZ 4.35Å; F238-F286 HydrophobicContact CD2-CB 4.32Å; F238-F286 HydrophobicContact CD2-CD1 4.33Å; F238-F286 HydrophobicContact CE2-CB 3.78Å; F238-F286 HydrophobicContact CE2-CD1 4.18Å; F238-F286 HydrophobicContact CE2-CG 4.39Å; G240-F286 VanDerWaalsContact CA-CE1 3.44Å; G240-F286 VanDerWaalsContact N-CD1 3.31Å; Q284-F286 HydrophobicContact CB-CE2 4.44Å; Q284-F286 HydrophobicContact CG-CE2 4.09Å; Q284-F286 HydrophobicContact CG-CZ 4.25Å |
| 287 | F | 94.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 125.6 | -179.1 | -56.2 | -82.9 | 0 | 0 | 0 | 109 | L144 P147 F190 Q192 R243 T244 F272 L285 | L144-F287 HydrophobicContact CD1-CD1 4.26Å; L144-F287 HydrophobicContact CD1-CE1 3.71Å; L144-F287 HydrophobicContact CD1-CZ 4.1Å; L144-F287 HydrophobicContact CD2-CE1 4.09Å; P147-F287 HydrophobicContact CB-CZ 4.47Å; F190-F287 HydrophobicContact CE2-CB 4.13Å; F190-F287 HydrophobicContact CE2-CD1 4.18Å; F190-F287 AromaticContact CZ-CD1 3.73Å; F190-F287 HydrophobicContact CZ-CD1 3.73Å; F190-F287 HydrophobicContact CZ-CE1 4.49Å; Q192-F287 HydrophobicContact CB-CD1 4.22Å; Q192-F287 HydrophobicContact CB-CE1 4.37Å; Q192-F287 HydrophobicContact CG-CD1 3.91Å; Q192-F287 HydrophobicContact CG-CE1 3.65Å; R243-F287 WeakPolarHBondContact CA-O 3.43Å; R243-F287 HydrophobicContact CB-CB 4.03Å; R243-F287 HydrophobicContact CG-CB 4.26Å; T244-F287 PolarHBondContact N-O 3.38Å; F272-F287 HydrophobicContact CB-CD2 4.26Å; F272-F287 HydrophobicContact CB-CE2 4.08Å; F272-F287 AromaticContact CD1-CE2 3.56Å; F272-F287 HydrophobicContact CD1-CE2 3.56Å; F272-F287 HydrophobicContact CD1-CZ 4.15Å; F272-F287 HydrophobicContact CD2-CD2 4.41Å; F272-F287 AromaticContact CD2-CE2 3.8Å; F272-F287 HydrophobicContact CD2-CE2 3.8Å; F272-F287 HydrophobicContact CD2-CZ 4.09Å; F272-F287 AromaticContact CE1-CE2 3.84Å; F272-F287 HydrophobicContact CE1-CE2 3.84Å; F272-F287 AromaticContact CE1-CZ 3.95Å; F272-F287 HydrophobicContact CE1-CZ 3.95Å; F272-F287 HydrophobicContact CE2-CE2 4.09Å; F272-F287 AromaticContact CE2-CZ 3.92Å; F272-F287 HydrophobicContact CE2-CZ 3.92Å; F272-F287 HydrophobicContact CG-CD2 4.15Å; F272-F287 AromaticContact CG-CE2 3.53Å; F272-F287 HydrophobicContact CG-CE2 3.53Å; F272-F287 HydrophobicContact CG-CZ 4.21Å; F272-F287 HydrophobicContact CZ-CE2 4.1Å; F272-F287 AromaticContact CZ-CZ 3.84Å; F272-F287 HydrophobicContact CZ-CZ 3.84Å; L285-F287 HydrophobicContact CB-CD2 4.48Å; L285-F287 HydrophobicContact CB-CE2 3.59Å; L285-F287 HydrophobicContact CB-CZ 3.72Å; L285-F287 HydrophobicContact CD1-CE2 4.32Å; L285-F287 HydrophobicContact CD1-CZ 3.73Å; L285-F287 HydrophobicContact CG-CZ 4.39Å |
| 288 | V | 96.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 139.2 | 177.7 | 66.9 | 0 | 0 | 0 | 0 | 110.4 | M191 F193 F238 T244 V246 F290 | M191-V288 HydrophobicContact CB-CG1 3.87Å; M191-V288 HydrophobicContact CE-CG1 4.03Å; M191-V288 PolarHBondContact N-O 3.35Å; M191-V288 PolarHBondContact O-N 3.28Å; F193-V288 HydrophobicContact CE2-CG1 4.09Å; F238-V288 HydrophobicContact CD1-CB 4.33Å; F238-V288 HydrophobicContact CD1-CG2 4.13Å; F238-V288 HydrophobicContact CD2-CB 4.25Å; F238-V288 HydrophobicContact CE1-CB 4.24Å; F238-V288 HydrophobicContact CE1-CG1 4.14Å; F238-V288 HydrophobicContact CE1-CG2 4.32Å; F238-V288 HydrophobicContact CE2-CB 4.14Å; F238-V288 HydrophobicContact CE2-CG1 4.26Å; F238-V288 HydrophobicContact CG-CB 4.34Å; F238-V288 HydrophobicContact CG-CG2 4.36Å; F238-V288 HydrophobicContact CZ-CB 4.13Å; F238-V288 HydrophobicContact CZ-CG1 3.88Å; T244-V288 CarbonylContact O-C 3.56Å; T244-V288 VanDerWaalsContact O-CA 3.3Å; T244-V288 WeakPolarHBondContact O-CA 3.23Å; V246-V288 HydrophobicContact CG2-CG2 3.96Å; V288-F290 HydrophobicContact CB-CE2 4.22Å; V288-F290 HydrophobicContact CG1-CD2 4.38Å; V288-F290 HydrophobicContact CG1-CE2 3.8Å; V288-F290 HydrophobicContact CG2-CD2 3.92Å; V288-F290 HydrophobicContact CG2-CE2 3.37Å; V288-F290 HydrophobicContact CG2-CZ 3.82Å |
| 289 | V | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128.3 | 173.7 | 179 | 0 | 0 | 0 | 0 | 107.7 | I141 L188 I189 F190 T244 W245 V246 | I141-V289 HydrophobicContact CD1-CG1 4.12Å; I141-V289 HydrophobicContact CD1-CG2 3.62Å; L188-V289 HydrophobicContact CB-CG1 4.07Å; L188-V289 HydrophobicContact CD1-CG1 4Å; L188-V289 HydrophobicContact CD2-CG1 4.24Å; L188-V289 HydrophobicContact CG-CG1 4.34Å; I189-V289 CarbonylContact O-C 3.6Å; I189-V289 VanDerWaalsContact O-CA 3.27Å; I189-V289 WeakPolarHBondContact O-CA 3.5Å; F190-V289 HydrophobicContact CD2-CG2 3.62Å; F190-V289 HydrophobicContact CE2-CG2 4.31Å; T244-V289 PolarHBondContact O-N 2.96Å; W245-V289 HydrophobicContact CD2-CB 4.19Å; W245-V289 HydrophobicContact CD2-CG1 4.17Å; W245-V289 HydrophobicContact CD2-CG2 4.48Å; W245-V289 HydrophobicContact CG-CB 4.1Å; W245-V289 HydrophobicContact CG-CG1 4.28Å; W245-V289 HydrophobicContact CZ2-CG1 4.16Å; V246-V289 PolarHBondContact N-O 3.26Å |
| 290 | F | 96.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131 | 169.1 | -65.3 | -98 | 0 | 0 | 0 | 110.1 | I121 L188 I189 M191 Y207 L209 V246 M248 V288 | I121-F290 HydrophobicContact CD1-CB 3.91Å; I121-F290 HydrophobicContact CD1-CD1 4.24Å; I121-F290 HydrophobicContact CD1-CD2 3.86Å; I121-F290 HydrophobicContact CD1-CE2 4.42Å; I121-F290 HydrophobicContact CD1-CG 3.76Å; I121-F290 HydrophobicContact CG2-CD2 4.32Å; I121-F290 HydrophobicContact CG2-CE1 4.14Å; I121-F290 HydrophobicContact CG2-CE2 3.81Å; I121-F290 HydrophobicContact CG2-CZ 3.71Å; L188-F290 VanDerWaalsContact CA-O 3.27Å; L188-F290 WeakPolarHBondContact CA-O 3.38Å; I189-F290 HydrophobicContact CG2-CB 3.65Å; I189-F290 HydrophobicContact CG2-CD2 4.28Å; I189-F290 HydrophobicContact CG2-CG 4.42Å; I189-F290 PolarHBondContact N-O 3.25Å; I189-F290 PolarHBondContact O-N 3.36Å; M191-F290 HydrophobicContact CE-CD2 3.43Å; M191-F290 VanDerWaalsContact CE-CD2 3.43Å; M191-F290 HydrophobicContact CE-CE2 3.46Å; M191-F290 VanDerWaalsContact CE-CE2 3.46Å; Y207-F290 HydrophobicContact CD1-CZ 4.42Å; Y207-F290 AromaticContact CD2-CE1 3.79Å; Y207-F290 HydrophobicContact CD2-CE1 3.79Å; Y207-F290 AromaticContact CD2-CZ 3.79Å; Y207-F290 HydrophobicContact CD2-CZ 3.79Å; Y207-F290 HydrophobicContact CE1-CZ 4.47Å; Y207-F290 AromaticContact CE2-CE1 3.53Å; Y207-F290 HydrophobicContact CE2-CE1 3.53Å; Y207-F290 AromaticContact CE2-CZ 3.87Å; Y207-F290 HydrophobicContact CE2-CZ 3.87Å; Y207-F290 HydrophobicContact CG-CZ 4.07Å; L209-F290 HydrophobicContact CD2-CD1 4.34Å; L209-F290 HydrophobicContact CD2-CE1 4.06Å; V246-F290 HydrophobicContact CB-CD1 3.7Å; V246-F290 HydrophobicContact CB-CE1 3.91Å; V246-F290 HydrophobicContact CB-CG 4.31Å; V246-F290 HydrophobicContact CG1-CD1 3.76Å; V246-F290 HydrophobicContact CG1-CE1 3.82Å; V246-F290 HydrophobicContact CG2-CD1 4.26Å; V246-F290 HydrophobicContact CG2-CE1 4.01Å; V246-F290 HydrophobicContact CG2-CZ 4.37Å; V246-F290 WeakPolarHBondContact O-CA 3.42Å; M248-F290 HydrophobicContact CE-CB 4.37Å; V288-F290 HydrophobicContact CB-CE2 4.22Å; V288-F290 HydrophobicContact CG1-CD2 4.38Å; V288-F290 HydrophobicContact CG1-CE2 3.8Å; V288-F290 HydrophobicContact CG2-CD2 3.92Å; V288-F290 HydrophobicContact CG2-CE2 3.37Å; V288-F290 HydrophobicContact CG2-CZ 3.82Å |
| 291 | E | 95.3 | Very high | 91.5 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 156.6 | 176 | 73.8 | 178 | -163.2 | 0 | 0 | 110.9 | L188 W245 V246 K247 M248 | L188-E291 HydrophobicContact CB-CB 3.96Å; W245-E291 PolarHBondContact NE1-OE2 3.3Å; V246-E291 PolarHBondContact O-N 3.49Å; K247-E291 CarbonylContact C-O 3.59Å; K247-E291 WeakPolarHBondContact CA-O 3.37Å; K247-E291 HydrophobicContact CB-CG 4.37Å; K247-E291 WeakPolarHBondContact CD-OE1 3.45Å; K247-E291 WeakPolarHBondContact CE-OE1 3.33Å; K247-E291 HydrophobicContact CG-CG 3.96Å; K247-E291 WeakPolarHBondContact CG-OE1 3.28Å; K247-E291 IonicContact NZ-OE1 3.7Å; K247-E291 PolarHBondContact NZ-OE1 3.31Å; M248-E291 WeakPolarHBondContact CG-O 3.42Å; M248-E291 PolarHBondContact N-O 2.87Å |
| 292 | W | 95.3 | Very high | 91.5 | Very high | 16 Ų | 16 | 31.5 Ų | 31.5 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 130.5 | 168.6 | -70.6 | 106.7 | 0 | 0 | 0 | 110.8 | F116 P119 P180 V183 M248 L250 F263 | F116-W292 HydrophobicContact CB-CD2 4.42Å; F116-W292 HydrophobicContact CB-CH2 4.24Å; F116-W292 HydrophobicContact CB-CZ2 3.48Å; F116-W292 VanDerWaalsContact CB-CZ2 3.48Å; F116-W292 HydrophobicContact CD1-CD2 4.19Å; F116-W292 AromaticContact CD1-CE2 3.99Å; F116-W292 HydrophobicContact CD1-CE3 4.05Å; F116-W292 AromaticContact CD1-CH2 3.52Å; F116-W292 HydrophobicContact CD1-CH2 3.52Å; F116-W292 AromaticContact CD1-CZ2 3.66Å; F116-W292 HydrophobicContact CD1-CZ2 3.66Å; F116-W292 AromaticContact CD1-CZ3 3.75Å; F116-W292 HydrophobicContact CD1-CZ3 3.75Å; F116-W292 AromaticContact CD2-CD2 3.96Å; F116-W292 HydrophobicContact CD2-CD2 3.96Å; F116-W292 AromaticContact CD2-CE2 3.97Å; F116-W292 HydrophobicContact CD2-CE3 4.42Å; F116-W292 HydrophobicContact CD2-CG 4.16Å; F116-W292 HydrophobicContact CD2-CZ2 4.43Å; F116-W292 HydrophobicContact CE1-CD2 4.44Å; F116-W292 AromaticContact CE1-CE3 3.98Å; F116-W292 HydrophobicContact CE1-CE3 3.98Å; F116-W292 HydrophobicContact CE1-CH2 4.07Å; F116-W292 AromaticContact CE1-CZ3 3.81Å; F116-W292 HydrophobicContact CE1-CZ3 3.81Å; F116-W292 HydrophobicContact CE2-CD2 4.24Å; F116-W292 HydrophobicContact CE2-CE3 4.38Å; F116-W292 HydrophobicContact CE2-CG 4.43Å; F116-W292 AromaticContact CG-CD2 3.94Å; F116-W292 HydrophobicContact CG-CD2 3.94Å; F116-W292 AromaticContact CG-CE2 3.59Å; F116-W292 HydrophobicContact CG-CE3 4.27Å; F116-W292 AromaticContact CG-CH2 3.98Å; F116-W292 HydrophobicContact CG-CH2 3.98Å; F116-W292 AromaticContact CG-CZ2 3.6Å; F116-W292 HydrophobicContact CG-CZ2 3.6Å; F116-W292 HydrophobicContact CG-CZ3 4.31Å; F116-W292 HydrophobicContact CZ-CD2 4.47Å; F116-W292 HydrophobicContact CZ-CE3 4.16Å; F116-W292 HydrophobicContact CZ-CZ3 4.44Å; P119-W292 HydrophobicContact CB-CZ2 4.37Å; P119-W292 HydrophobicContact CG-CH2 4.41Å; P119-W292 HydrophobicContact CG-CZ2 3.77Å; P180-W292 PolarHBondContact O-NE1 3.44Å; V183-W292 HydrophobicContact CB-CB 4.39Å; V183-W292 HydrophobicContact CG1-CB 4.12Å; V183-W292 HydrophobicContact CG2-CB 3.51Å; V183-W292 HydrophobicContact CG2-CG 3.63Å; M248-W292 HydrophobicContact CB-CE3 4.42Å; M248-W292 HydrophobicContact CB-CZ3 4.42Å; M248-W292 HydrophobicContact CE-CD2 3.99Å; M248-W292 HydrophobicContact CE-CG 4.25Å; M248-W292 HydrophobicContact CE-CZ2 4.23Å; M248-W292 HydrophobicContact CG-CD2 4.12Å; M248-W292 HydrophobicContact CG-CE3 3.82Å; M248-W292 HydrophobicContact CG-CZ3 4.09Å; M248-W292 HydrophobicContact SD-CD2 4.29Å; M248-W292 HydrophobicContact SD-CE3 4.27Å; M248-W292 HydrophobicContact SD-CH2 4.17Å; M248-W292 HydrophobicContact SD-CZ2 4.18Å; M248-W292 HydrophobicContact SD-CZ3 4.19Å; L250-W292 HydrophobicContact CB-CH2 4.27Å; L250-W292 HydrophobicContact CB-CZ3 4Å; F263-W292 HydrophobicContact CD1-CH2 4.46Å; F263-W292 AromaticContact CE1-CH2 3.64Å; F263-W292 HydrophobicContact CE1-CH2 3.64Å; F263-W292 HydrophobicContact CE1-CZ3 4.11Å; F263-W292 HydrophobicContact CZ-CH2 4.44Å |
| 293 | R | 93.3 | Very high | 91.2 | Very high | 78 Ų | 78 | 32.1 Ų | 32.1 | 29% | 0.294 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -70 | -44.3 | 179.3 | -171 | -175.3 | 65.5 | -173.1 | -7.2 | 111.9 | K247 M248 S249 E266 | K247-R293 HydrophobicContact CB-CB 3.88Å; K247-R293 HydrophobicContact CB-CG 4.14Å; K247-R293 HydrophobicContact CD-CG 4.41Å; M248-R293 PolarHBondContact O-N 3.41Å; S249-R293 PolarHBondContact OG-NH2 3.4Å; E266-R293 IonicContact OE1-CZ 2.67Å; E266-R293 IonicContact OE1-NH1 3.24Å; E266-R293 PolarHBondContact OE1-NH1 2.99Å; E266-R293 WeakPolarHBondContact OE2-CD 3.37Å |
| 294 | D | 90.6 | Very high | 90.5 | Very high | 29 Ų | 29 | 31.4 Ų | 31.4 | 16% | 0.155 | 14% | 0.144 | C | C | . | . | trans | -148 | 155.9 | -172.6 | 54.8 | 55.2 | 0 | 0 | 0 | 110.9 | S249 Y296 | S249-D294 PolarHBondContact OG-OD1 3.29Å; D294-Y296 HydrophobicContact CB-CD2 4.03Å; D294-Y296 PolarHBondContact O-N 2.83Å; D294-Y296 VanDerWaalsContact O-N 3.16Å; D294-Y296 PolarHBondContact OD1-N 3.33Å; D294-Y296 VanDerWaalsContact OD1-O 3.1Å | ||
| 295 | P | 93.9 | Very high | 89.6 | Confident | 38 Ų | 38 | 30.3 Ų | 30.3 | 25% | 0.247 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -80.2 | 19.6 | 178.1 | 34.7 | -36.8 | 0 | 0 | 0 | 112.4 | E112 V113 V183 | E112-P295 CarbonylContact C-O 3.6Å; E112-P295 WeakPolarHBondContact CA-O 3.21Å; E112-P295 HydrophobicContact CG-CB 4.42Å; E112-P295 HydrophobicContact CG-CG 4.49Å; V113-P295 WeakPolarHBondContact CG2-O 3.33Å; V113-P295 PolarHBondContact N-O 3.44Å; V183-P295 HydrophobicContact CG1-CB 4.13Å |
| 296 | Y | 94.1 | Very high | 88.8 | Confident | 96 Ų | 96 | 31.8 Ų | 31.8 | 38% | 0.376 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.5 | -173.1 | -59.6 | -73.4 | 0 | 0 | 0 | 111.4 | K111 E112 D294 | K111-Y296 WeakPolarHBondContact O-CA 3.48Å; E112-Y296 HydrophobicContact CB-CD1 3.91Å; E112-Y296 HydrophobicContact CB-CE1 3.78Å; E112-Y296 HydrophobicContact CG-CD1 4.3Å; E112-Y296 HydrophobicContact CG-CE1 3.96Å; D294-Y296 HydrophobicContact CB-CD2 4.03Å; D294-Y296 PolarHBondContact O-N 2.83Å; D294-Y296 VanDerWaalsContact O-N 3.16Å; D294-Y296 PolarHBondContact OD1-N 3.33Å; D294-Y296 VanDerWaalsContact OD1-O 3.1Å |
| 297 | I | 93.1 | Very high | 88.2 | Confident | 13 Ų | 13 | 35.3 Ų | 35.3 | 7% | 0.067 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 123.9 | 163.6 | -60.8 | 178.3 | 0 | 0 | 0 | 107.8 | K111 V113 F116 L250 K252 E299 | K111-I297 PolarHBondContact N-O 3.16Å; K111-I297 PolarHBondContact O-N 2.99Å; V113-I297 HydrophobicContact CB-CD1 4.49Å; V113-I297 HydrophobicContact CG1-CD1 3.57Å; V113-I297 HydrophobicContact CG1-CG1 3.97Å; V113-I297 HydrophobicContact CG2-CD1 4.17Å; V113-I297 HydrophobicContact CG2-CG1 4Å; F116-I297 HydrophobicContact CD1-CD1 4.44Å; F116-I297 HydrophobicContact CD1-CG1 4.21Å; F116-I297 HydrophobicContact CE1-CD1 4.21Å; F116-I297 HydrophobicContact CE1-CG1 3.51Å; F116-I297 HydrophobicContact CZ-CG1 4.07Å; L250-I297 HydrophobicContact CD2-CD1 4.39Å; L250-I297 HydrophobicContact CD2-CG1 4.46Å; K252-I297 HydrophobicContact CB-CG2 4.42Å; K252-I297 HydrophobicContact CD-CG2 3.88Å; K252-I297 HydrophobicContact CG-CG2 3.86Å; I297-E299 HydrophobicContact CG2-CG 4.25Å; I297-E299 PolarHBondContact O-N 3.2Å |
| 298 | Q | 93.1 | Very high | 87.7 | Confident | 14 Ų | 14 | 37.1 Ų | 37.1 | 7% | 0.065 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 108.7 | 173.6 | -174.3 | -177.6 | -30.3 | 0 | 0 | 109 | V108 S109 Y110 L250 V251 K252 I300 | V108-Q298 HydrophobicContact CG1-CG 3.55Å; S109-Q298 CarbonylContact O-C 3.57Å; Y110-Q298 HydrophobicContact CD1-CB 4.3Å; Y110-Q298 HydrophobicContact CD1-CG 4.46Å; Y110-Q298 HydrophobicContact CE1-CB 4.06Å; Y110-Q298 HydrophobicContact CE1-CG 3.94Å; L250-Q298 PolarHBondContact O-N 3.01Å; V251-Q298 CarbonylContact C-O 3.6Å; V251-Q298 WeakPolarHBondContact CA-O 3.24Å; V251-Q298 HydrophobicContact CB-CB 4.49Å; V251-Q298 HydrophobicContact CG1-CB 4.38Å; V251-Q298 HydrophobicContact CG1-CG 4.35Å; V251-Q298 HydrophobicContact CG2-CB 4.13Å; K252-Q298 PolarHBondContact N-O 3.49Å; Q298-I300 HydrophobicContact CG-CG1 4.43Å |
| 299 | E | 92.1 | Very high | 87.3 | Confident | 26 Ų | 26 | 46.8 Ų | 46.8 | 12% | 0.121 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 119 | 175.6 | -65.5 | -171.4 | -170.4 | 0 | 0 | 110.6 | S109 K111 K252 I297 R301 | S109-E299 PolarHBondContact N-O 3.41Å; S109-E299 PolarHBondContact O-N 3.43Å; S109-E299 WeakPolarHBondContact OG-CB 3.44Å; S109-E299 PolarHBondContact OG-O 2.95Å; K111-E299 WeakPolarHBondContact CD-OE1 3.39Å; K252-E299 CarbonylContact O-C 3.47Å; K252-E299 WeakPolarHBondContact O-CA 3.46Å; I297-E299 HydrophobicContact CG2-CG 4.25Å; I297-E299 PolarHBondContact O-N 3.2Å; E299-R301 IonicContact OE2-CZ 2.69Å; E299-R301 VanDerWaalsContact OE2-CZ 3.24Å; E299-R301 IonicContact OE2-NE 2.71Å; E299-R301 PolarHBondContact OE2-NE 2.78Å; E299-R301 IonicContact OE2-NH2 3.81Å; E299-R301 PolarHBondContact OE2-NH2 2.96Å |
| 300 | I | 89.7 | Confident | 87 | Confident | 33 Ų | 33 | 49.8 Ų | 49.8 | 17% | 0.169 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 110.7 | 176.6 | -56 | -177.7 | 0 | 0 | 0 | 108 | M106 S107 V108 V251 K252 T253 S254 Q298 | M106-I300 HydrophobicContact CB-CG2 3.45Å; M106-I300 VanDerWaalsContact CB-CG2 3.45Å; M106-I300 HydrophobicContact CE-CG2 3.99Å; M106-I300 HydrophobicContact CG-CG2 3.95Å; S107-I300 WeakPolarHBondContact O-CA 3.45Å; V108-I300 HydrophobicContact CG2-CG1 4.42Å; V251-I300 HydrophobicContact CG1-CD1 3.45Å; V251-I300 VanDerWaalsContact CG1-CD1 3.45Å; V251-I300 HydrophobicContact CG1-CG1 3.89Å; K252-I300 PolarHBondContact O-N 3.38Å; T253-I300 WeakPolarHBondContact CA-O 3.45Å; T253-I300 HydrophobicContact CG2-CB 4.25Å; T253-I300 HydrophobicContact CG2-CG2 4.2Å; S254-I300 PolarHBondContact N-O 2.85Å; S254-I300 PolarHBondContact OG-O 3.46Å; Q298-I300 HydrophobicContact CG-CG1 4.43Å |
| 301 | R | 85.2 | Confident | 86.5 | Confident | 103 Ų | 103 | 50.8 Ų | 50.8 | 39% | 0.389 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 163.8 | -179.8 | -51.1 | -168.8 | -179.6 | -156 | -3.3 | 110.8 | M106 S107 S254 E299 A306 | M106-R301 CarbonylContact C-O 3.42Å; M106-R301 VanDerWaalsContact CA-O 3.3Å; M106-R301 WeakPolarHBondContact CA-O 3.45Å; M106-R301 VanDerWaalsContact CE-C 3.44Å; S107-R301 PolarHBondContact N-O 2.88Å; S107-R301 PolarHBondContact O-N 3.24Å; S254-R301 WeakPolarHBondContact OG-CA 3.48Å; S254-R301 WeakPolarHBondContact OG-CB 3.5Å; S254-R301 WeakPolarHBondContact OG-CG 3.43Å; E299-R301 IonicContact OE2-CZ 2.69Å; E299-R301 VanDerWaalsContact OE2-CZ 3.24Å; E299-R301 IonicContact OE2-NE 2.71Å; E299-R301 PolarHBondContact OE2-NE 2.78Å; E299-R301 IonicContact OE2-NH2 3.81Å; E299-R301 PolarHBondContact OE2-NH2 2.96Å; R301-A306 HydrophobicContact CB-CB 4.16Å |
| 302 | L | 80.8 | Confident | 86.2 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 142.4 | 174.6 | -64.1 | 162.6 | 0 | 0 | 0 | 110.1 | N99 P104 M106 V304 T305 A306 | N99-L302 WeakPolarHBondContact OD1-CD1 3.41Å; P104-L302 HydrophobicContact CB-CD2 3.37Å; P104-L302 HydrophobicContact CG-CD2 3.17Å; M106-L302 HydrophobicContact CE-CG 4.49Å; M106-L302 HydrophobicContact SD-CB 4.38Å; M106-L302 HydrophobicContact SD-CD2 3.47Å; M106-L302 WeakPolarHBondContact SD-CD2 3.1Å; M106-L302 HydrophobicContact SD-CG 3.88Å; L302-V304 PolarHBondContact O-N 3.46Å; L302-V304 VanDerWaalsContact O-N 3.16Å; L302-T305 HydrophobicContact CB-CG2 4.11Å; L302-T305 WeakPolarHBondContact CB-OG1 3.38Å; L302-T305 HydrophobicContact CD1-CG2 4.24Å; L302-T305 PolarHBondContact N-OG1 3.1Å; L302-T305 CarbonylContact O-C 3.59Å; L302-T305 PolarHBondContact O-N 3.09Å; L302-T305 PolarHBondContact O-OG1 3.29Å; L302-T305 VanDerWaalsContact O-OG1 3.07Å; L302-A306 WeakPolarHBondContact O-CB 3.43Å; L302-A306 PolarHBondContact O-N 3.3Å |
| 303 | I | 75.7 | Confident | 86 | Confident | 93 Ų | 93 | 53.5 Ų | 53.5 | 48% | 0.477 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.5 | -38.5 | -175.4 | -163.7 | 165.5 | 0 | 0 | 0 | 113.2 | V105 N307 | V105-I303 PolarHBondContact O-N 3.36Å; I303-N307 PolarHBondContact O-N 3.47Å |
| 304 | V | 71.8 | Confident | 85.8 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 11% | 0.109 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.5 | -33.5 | 178.5 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | Y91 I94 L98 L302 | Y91-V304 HydrophobicContact CD2-CG1 4.17Å; Y91-V304 HydrophobicContact CE2-CG1 3.54Å; Y91-V304 PolarHBondContact OH-O 3.04Å; I94-V304 HydrophobicContact CG2-CG1 4.36Å; I94-V304 HydrophobicContact CG2-CG2 4.48Å; L98-V304 HydrophobicContact CD1-CB 3.71Å; L98-V304 HydrophobicContact CD1-CG1 4.37Å; L98-V304 HydrophobicContact CD1-CG2 3.31Å; L302-V304 PolarHBondContact O-N 3.46Å; L302-V304 VanDerWaalsContact O-N 3.16Å |
| 305 | T | 69.3 | Low | 85.9 | Confident | 45 Ų | 45 | 54.8 Ų | 54.8 | 28% | 0.276 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -86.5 | -24.2 | 179.7 | 66.2 | 0 | 0 | 0 | 0 | 113 | L302 | L302-T305 HydrophobicContact CB-CG2 4.11Å; L302-T305 WeakPolarHBondContact CB-OG1 3.38Å; L302-T305 HydrophobicContact CD1-CG2 4.24Å; L302-T305 PolarHBondContact N-OG1 3.1Å; L302-T305 CarbonylContact O-C 3.59Å; L302-T305 PolarHBondContact O-N 3.09Å; L302-T305 PolarHBondContact O-OG1 3.29Å; L302-T305 VanDerWaalsContact O-OG1 3.07Å |
| 306 | A | 74.6 | Confident | 85.8 | Confident | 35 Ų | 35 | 55.3 Ų | 55.3 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.8 | -36.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | R301 L302 | R301-A306 HydrophobicContact CB-CB 4.16Å; L302-A306 WeakPolarHBondContact O-CB 3.43Å; L302-A306 PolarHBondContact O-N 3.3Å |
| 307 | N | 82.3 | Confident | 85.8 | Confident | 75 Ų | 75 | 55.5 Ų | 55.5 | 40% | 0.401 | 30% | 0.3 | S | S | . | . | trans | -131.1 | 69.4 | -179.3 | -163.3 | -21 | 0 | 0 | 0 | 111.5 | I303 W309 S310 S311 | I303-N307 PolarHBondContact O-N 3.47Å; N307-W309 PolarHBondContact O-N 3.04Å; N307-S310 PolarHBondContact ND2-OG 2.85Å; N307-S310 PolarHBondContact O-N 2.85Å; N307-S310 WeakPolarHBondContact OD1-CB 3.42Å; N307-S310 PolarHBondContact OD1-N 3.3Å; N307-S310 PolarHBondContact OD1-OG 3.23Å; N307-S311 PolarHBondContact O-N 3.42Å | ||
| 308 | P | 83.8 | Confident | 85.8 | Confident | 40 Ų | 40 | 58.4 Ų | 58.4 | 26% | 0.26 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.3 | -34 | -175 | 24.6 | -34.2 | 0 | 0 | 0 | 112.1 | Y91 S310 S311 I312 | Y91-P308 HydrophobicContact CE2-CB 4.28Å; P308-S310 VanDerWaalsContact C-N 3.34Å; P308-S310 PolarHBondContact O-N 3.39Å; P308-S311 PolarHBondContact O-N 3.39Å; P308-I312 WeakPolarHBondContact O-CB 3.27Å; P308-I312 VanDerWaalsContact O-CG1 3.23Å; P308-I312 WeakPolarHBondContact O-CG1 3.27Å; P308-I312 PolarHBondContact O-N 2.92Å |
| 309 | W | 87.9 | Confident | 85.7 | Confident | 203 Ų | 203 | 60.6 Ų | 60.6 | 77% | 0.769 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.5 | -39.6 | 178.7 | -64 | 115.4 | 0 | 0 | 0 | 112.8 | N307 G313 | N307-W309 PolarHBondContact O-N 3.04Å; W309-G313 PolarHBondContact O-N 3.32Å |
| 310 | S | 88 | Confident | 85.7 | Confident | 62 Ų | 62 | 66 Ų | 66 | 43% | 0.434 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.2 | -42.7 | 176.9 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | N307 P308 G313 I314 | N307-S310 PolarHBondContact ND2-OG 2.85Å; N307-S310 PolarHBondContact O-N 2.85Å; N307-S310 WeakPolarHBondContact OD1-CB 3.42Å; N307-S310 PolarHBondContact OD1-N 3.3Å; N307-S310 PolarHBondContact OD1-OG 3.23Å; P308-S310 VanDerWaalsContact C-N 3.34Å; P308-S310 PolarHBondContact O-N 3.39Å; S310-G313 PolarHBondContact O-N 2.87Å; S310-I314 WeakPolarHBondContact O-CG1 3.18Å; S310-I314 PolarHBondContact O-N 2.98Å |
| 311 | S | 86.9 | Confident | 86 | Confident | 22 Ų | 22 | 67.1 Ų | 67.1 | 15% | 0.154 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 176.2 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | N307 P308 G313 I314 L315 | N307-S311 PolarHBondContact O-N 3.42Å; P308-S311 PolarHBondContact O-N 3.39Å; S311-G313 VanDerWaalsContact C-N 3.34Å; S311-I314 PolarHBondContact O-N 3.34Å; S311-L315 WeakPolarHBondContact O-CG 3.26Å; S311-L315 PolarHBondContact O-N 3.5Å |
| 312 | I | 89.2 | Confident | 86.3 | Confident | 53 Ų | 53 | 67.6 Ų | 67.6 | 27% | 0.272 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 174 | -70.9 | 166.2 | 0 | 0 | 0 | 110.4 | I87 Y91 P308 I314 L315 C316 | I87-I312 HydrophobicContact CG2-CG2 4.1Å; Y91-I312 HydrophobicContact CD2-CG1 4.41Å; P308-I312 WeakPolarHBondContact O-CB 3.27Å; P308-I312 VanDerWaalsContact O-CG1 3.23Å; P308-I312 WeakPolarHBondContact O-CG1 3.27Å; P308-I312 PolarHBondContact O-N 2.92Å; I312-I314 VanDerWaalsContact C-N 3.34Å; I312-I314 PolarHBondContact O-N 2.87Å; I312-L315 WeakPolarHBondContact O-CB 3.47Å; I312-L315 PolarHBondContact O-N 3.25Å; I312-L315 VanDerWaalsContact O-N 3.17Å; I312-C316 PolarHBondContact O-N 3.46Å; I312-C316 PolarHBondContact O-SG 3.03Å |
| 313 | G | 90.6 | Very high | 86.9 | Confident | 32 Ų | 32 | 72.9 Ų | 72.9 | 33% | 0.33 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W309 S310 S311 C316 V317 | W309-G313 PolarHBondContact O-N 3.32Å; S310-G313 PolarHBondContact O-N 2.87Å; S311-G313 VanDerWaalsContact C-N 3.34Å; G313-C316 WeakPolarHBondContact O-CB 3.33Å; G313-C316 PolarHBondContact O-N 2.89Å; G313-V317 WeakPolarHBondContact O-CG2 3.33Å; G313-V317 PolarHBondContact O-N 2.88Å; G313-V317 VanDerWaalsContact O-N 3.1Å |
| 314 | I | 90.1 | Very high | 87.7 | Confident | 112 Ų | 112 | 76.2 Ų | 76.2 | 57% | 0.574 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.5 | -45.2 | 175.3 | -66.9 | 165.3 | 0 | 0 | 0 | 110.6 | S310 S311 I312 C316 V317 V318 | S310-I314 WeakPolarHBondContact O-CG1 3.18Å; S310-I314 PolarHBondContact O-N 2.98Å; S311-I314 PolarHBondContact O-N 3.34Å; I312-I314 VanDerWaalsContact C-N 3.34Å; I312-I314 PolarHBondContact O-N 2.87Å; I314-C316 PolarHBondContact O-N 3.49Å; I314-V317 PolarHBondContact O-N 3.2Å; I314-V318 HydrophobicContact CG2-CG2 4.46Å; I314-V318 WeakPolarHBondContact O-CG2 3.44Å; I314-V318 PolarHBondContact O-N 3.32Å |
| 315 | L | 91.8 | Very high | 88.8 | Confident | 22 Ų | 22 | 78.1 Ų | 78.1 | 12% | 0.115 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -60 | -45.5 | 177.1 | -71 | 172.3 | 0 | 0 | 0 | 111.5 | I87 A90 I94 S311 I312 V317 V318 F319 | I87-L315 HydrophobicContact CG2-CB 3.95Å; I87-L315 HydrophobicContact CG2-CD1 4.08Å; A90-L315 HydrophobicContact CB-CD1 4.28Å; A90-L315 HydrophobicContact CB-CD2 4.31Å; I94-L315 HydrophobicContact CD1-CD1 4.37Å; I94-L315 HydrophobicContact CD1-CD2 3.91Å; S311-L315 WeakPolarHBondContact O-CG 3.26Å; S311-L315 PolarHBondContact O-N 3.5Å; I312-L315 WeakPolarHBondContact O-CB 3.47Å; I312-L315 PolarHBondContact O-N 3.25Å; I312-L315 VanDerWaalsContact O-N 3.17Å; L315-V317 VanDerWaalsContact C-N 3.29Å; L315-V317 PolarHBondContact O-N 2.93Å; L315-V318 PolarHBondContact O-N 3.47Å; L315-V318 VanDerWaalsContact O-N 3.17Å; L315-F319 VanDerWaalsContact O-CD2 3.28Å; L315-F319 WeakPolarHBondContact O-CD2 3.31Å; L315-F319 PolarHBondContact O-N 3.46Å |
| 316 | C | 91.7 | Very high | 90 | Very high | 49 Ų | 49 | 78.3 Ų | 78.3 | 33% | 0.331 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -53.6 | -46.6 | 175 | -68.9 | 0 | 0 | 0 | 0 | 112 | I87 I312 G313 I314 F319 M320 | I87-C316 VanDerWaalsContact CD1-SG 3.55Å; I312-C316 PolarHBondContact O-N 3.46Å; I312-C316 PolarHBondContact O-SG 3.03Å; G313-C316 WeakPolarHBondContact O-CB 3.33Å; G313-C316 PolarHBondContact O-N 2.89Å; I314-C316 PolarHBondContact O-N 3.49Å; C316-F319 PolarHBondContact O-N 3.31Å; C316-M320 WeakPolarHBondContact O-CB 3.34Å; C316-M320 WeakPolarHBondContact O-CG 3.48Å; C316-M320 PolarHBondContact O-N 3Å |
| 317 | V | 93.4 | Very high | 90.8 | Very high | 101 Ų | 101 | 81 Ų | 81 | 61% | 0.612 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.2 | -43.8 | 179.3 | 172.4 | 0 | 0 | 0 | 0 | 111 | G313 I314 L315 M320 A321 | G313-V317 WeakPolarHBondContact O-CG2 3.33Å; G313-V317 PolarHBondContact O-N 2.88Å; G313-V317 VanDerWaalsContact O-N 3.1Å; I314-V317 PolarHBondContact O-N 3.2Å; L315-V317 VanDerWaalsContact C-N 3.29Å; L315-V317 PolarHBondContact O-N 2.93Å; V317-M320 PolarHBondContact O-N 2.91Å; V317-A321 VanDerWaalsContact O-CB 3.29Å; V317-A321 WeakPolarHBondContact O-CB 3.01Å; V317-A321 PolarHBondContact O-N 3.43Å |
| 318 | V | 94.3 | Very high | 91.3 | Very high | 73 Ų | 73 | 84.3 Ų | 84.3 | 44% | 0.442 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 177.7 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | I314 L315 M320 A321 L322 | I314-V318 HydrophobicContact CG2-CG2 4.46Å; I314-V318 WeakPolarHBondContact O-CG2 3.44Å; I314-V318 PolarHBondContact O-N 3.32Å; L315-V318 PolarHBondContact O-N 3.47Å; L315-V318 VanDerWaalsContact O-N 3.17Å; V318-M320 PolarHBondContact O-N 3.47Å; V318-A321 PolarHBondContact O-N 3.24Å; V318-L322 HydrophobicContact CG1-CD1 4.11Å; V318-L322 WeakPolarHBondContact O-CG 3.28Å; V318-L322 PolarHBondContact O-N 3.23Å |
| 319 | F | 91.6 | Very high | 91.8 | Very high | 60 Ų | 60 | 84.5 Ų | 84.5 | 26% | 0.263 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 177.2 | -87.8 | -82.5 | 0 | 0 | 0 | 111.7 | A86 I87 A90 L315 C316 A321 L322 F323 | A86-F319 HydrophobicContact CB-CE1 4.38Å; A86-F319 HydrophobicContact CB-CZ 4.32Å; I87-F319 HydrophobicContact CG1-CD2 3.83Å; I87-F319 HydrophobicContact CG1-CE2 4Å; A90-F319 HydrophobicContact CB-CE2 4.34Å; L315-F319 VanDerWaalsContact O-CD2 3.28Å; L315-F319 WeakPolarHBondContact O-CD2 3.31Å; L315-F319 PolarHBondContact O-N 3.46Å; C316-F319 PolarHBondContact O-N 3.31Å; F319-A321 VanDerWaalsContact C-N 3.35Å; F319-A321 PolarHBondContact O-N 2.88Å; F319-L322 PolarHBondContact O-N 2.84Å; F319-F323 HydrophobicContact CD1-CE2 4.44Å; F319-F323 WeakPolarHBondContact O-CD2 3.42Å; F319-F323 PolarHBondContact O-N 3.37Å |
| 320 | M | 91.8 | Very high | 92 | Very high | 141 Ų | 141 | 81.2 Ų | 81.2 | 70% | 0.695 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61.7 | -41.6 | 176.9 | -76.2 | -67 | -158 | 0 | 0 | 112.4 | C316 V317 V318 F323 K324 | C316-M320 WeakPolarHBondContact O-CB 3.34Å; C316-M320 WeakPolarHBondContact O-CG 3.48Å; C316-M320 PolarHBondContact O-N 3Å; V317-M320 PolarHBondContact O-N 2.91Å; V318-M320 PolarHBondContact O-N 3.47Å; M320-F323 PolarHBondContact O-N 3.21Å; M320-K324 WeakPolarHBondContact O-CB 3.37Å; M320-K324 PolarHBondContact O-N 3.42Å |
| 321 | A | 94.6 | Very high | 92.2 | Very high | 56 Ų | 56 | 83.6 Ų | 83.6 | 46% | 0.463 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V317 V318 F319 K324 A325 | V317-A321 VanDerWaalsContact O-CB 3.29Å; V317-A321 WeakPolarHBondContact O-CB 3.01Å; V317-A321 PolarHBondContact O-N 3.43Å; V318-A321 PolarHBondContact O-N 3.24Å; F319-A321 VanDerWaalsContact C-N 3.35Å; F319-A321 PolarHBondContact O-N 2.88Å; A321-K324 PolarHBondContact O-N 2.87Å; A321-A325 VanDerWaalsContact O-CB 3.3Å; A321-A325 WeakPolarHBondContact O-CB 3.45Å; A321-A325 PolarHBondContact O-N 3.24Å |
| 322 | L | 93.2 | Very high | 92.5 | Very high | 112 Ų | 112 | 84.8 Ų | 84.8 | 59% | 0.586 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.1 | -45.4 | 175.7 | -72.7 | 171.5 | 0 | 0 | 0 | 111.9 | V318 F319 K324 A325 A326 | V318-L322 HydrophobicContact CG1-CD1 4.11Å; V318-L322 WeakPolarHBondContact O-CG 3.28Å; V318-L322 PolarHBondContact O-N 3.23Å; F319-L322 PolarHBondContact O-N 2.84Å; L322-K324 PolarHBondContact O-N 2.71Å; L322-A325 PolarHBondContact O-N 2.88Å; L322-A326 WeakPolarHBondContact O-CB 3.49Å; L322-A326 PolarHBondContact O-N 3.36Å |
| 323 | F | 91.4 | Very high | 92.7 | Very high | 126 Ų | 126 | 87 Ų | 87 | 55% | 0.553 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.7 | -42.5 | 175.9 | -80 | -64.6 | 0 | 0 | 0 | 112.3 | F319 M320 A326 N327 | F319-F323 HydrophobicContact CD1-CE2 4.44Å; F319-F323 WeakPolarHBondContact O-CD2 3.42Å; F319-F323 PolarHBondContact O-N 3.37Å; M320-F323 PolarHBondContact O-N 3.21Å; F323-A326 PolarHBondContact O-N 3.2Å; F323-N327 PolarHBondContact O-N 2.98Å; F323-N327 PolarHBondContact O-ND2 3.5Å |
| 324 | K | 93.9 | Very high | 92.8 | Very high | 164 Ų | 164 | 92.8 Ų | 92.8 | 71% | 0.713 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.4 | -43.6 | 177.4 | -170.2 | 174.8 | -178.7 | 177.5 | 0 | 111.5 | M320 A321 L322 N327 F328 | M320-K324 WeakPolarHBondContact O-CB 3.37Å; M320-K324 PolarHBondContact O-N 3.42Å; A321-K324 PolarHBondContact O-N 2.87Å; L322-K324 PolarHBondContact O-N 2.71Å; K324-N327 PolarHBondContact O-N 2.92Å; K324-F328 PolarHBondContact O-N 3.49Å |
| 325 | A | 94.7 | Very high | 92.9 | Very high | 58 Ų | 58 | 95 Ų | 95 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A321 L322 N327 F328 A329 | A321-A325 VanDerWaalsContact O-CB 3.3Å; A321-A325 WeakPolarHBondContact O-CB 3.45Å; A321-A325 PolarHBondContact O-N 3.24Å; L322-A325 PolarHBondContact O-N 2.88Å; A325-N327 PolarHBondContact O-N 2.94Å; A325-F328 PolarHBondContact O-N 3.04Å; A325-A329 WeakPolarHBondContact O-CB 3.4Å; A325-A329 PolarHBondContact O-N 3.35Å |
| 326 | A | 93.4 | Very high | 93 | Very high | 49 Ų | 49 | 98.4 Ų | 98.4 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L322 F323 A329 K330 | L322-A326 WeakPolarHBondContact O-CB 3.49Å; L322-A326 PolarHBondContact O-N 3.36Å; F323-A326 PolarHBondContact O-N 3.2Å; A326-A329 PolarHBondContact O-N 2.89Å; A326-K330 WeakPolarHBondContact O-CG 3.39Å; A326-K330 PolarHBondContact O-N 3.01Å |
| 327 | N | 93 | Very high | 93 | Very high | 92 Ų | 92 | 100.1 Ų | 100.1 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 175.3 | -74.4 | -26.4 | 0 | 0 | 0 | 112.1 | F323 K324 A325 K330 L331 | F323-N327 PolarHBondContact O-N 2.98Å; F323-N327 PolarHBondContact O-ND2 3.5Å; K324-N327 PolarHBondContact O-N 2.92Å; A325-N327 PolarHBondContact O-N 2.94Å; N327-K330 WeakPolarHBondContact O-CB 3.42Å; N327-K330 PolarHBondContact O-N 3.19Å; N327-L331 PolarHBondContact O-N 3.44Å; N327-L331 VanDerWaalsContact O-N 3.1Å |
| 328 | F | 92.1 | Very high | 93 | Very high | 143 Ų | 143 | 100.9 Ų | 100.9 | 63% | 0.627 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.7 | -45.1 | 173.5 | -175.5 | -101.7 | 0 | 0 | 0 | 111.4 | K324 A325 K330 L331 T332 | K324-F328 PolarHBondContact O-N 3.49Å; A325-F328 PolarHBondContact O-N 3.04Å; F328-K330 VanDerWaalsContact C-N 3.32Å; F328-K330 PolarHBondContact O-N 3.47Å; F328-L331 WeakPolarHBondContact O-CB 3.44Å; F328-L331 PolarHBondContact O-N 3.32Å; F328-L331 VanDerWaalsContact O-N 3.09Å; F328-T332 PolarHBondContact O-N 2.88Å; F328-T332 PolarHBondContact O-OG1 3.48Å |
| 329 | A | 93.9 | Very high | 92.9 | Very high | 45 Ų | 45 | 100.5 Ų | 100.5 | 37% | 0.372 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.9 | -41.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A325 A326 L331 T332 I333 | A325-A329 WeakPolarHBondContact O-CB 3.4Å; A325-A329 PolarHBondContact O-N 3.35Å; A326-A329 PolarHBondContact O-N 2.89Å; A329-L331 VanDerWaalsContact C-N 3.34Å; A329-L331 PolarHBondContact O-N 3.36Å; A329-T332 PolarHBondContact O-N 3.26Å; A329-I333 VanDerWaalsContact O-CG1 3.26Å; A329-I333 WeakPolarHBondContact O-CG1 3.29Å; A329-I333 PolarHBondContact O-N 3.42Å |
| 330 | K | 93.3 | Very high | 92.9 | Very high | 133 Ų | 133 | 106.3 Ų | 106.3 | 58% | 0.578 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60 | -42.9 | 173.9 | -74.4 | 177.2 | -179.1 | 176.7 | 0 | 112.2 | A326 N327 F328 I333 K334 | A326-K330 WeakPolarHBondContact O-CG 3.39Å; A326-K330 PolarHBondContact O-N 3.01Å; N327-K330 WeakPolarHBondContact O-CB 3.42Å; N327-K330 PolarHBondContact O-N 3.19Å; F328-K330 VanDerWaalsContact C-N 3.32Å; F328-K330 PolarHBondContact O-N 3.47Å; K330-I333 PolarHBondContact O-N 2.95Å; K330-K334 WeakPolarHBondContact O-CG 3.4Å; K330-K334 PolarHBondContact O-N 2.83Å |
| 331 | L | 91.9 | Very high | 93 | Very high | 112 Ų | 112 | 106.1 Ų | 106.1 | 59% | 0.586 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.7 | -43.6 | 176.9 | -69.2 | 174 | 0 | 0 | 0 | 111.5 | N327 F328 A329 I333 K334 W335 | N327-L331 PolarHBondContact O-N 3.44Å; N327-L331 VanDerWaalsContact O-N 3.1Å; F328-L331 WeakPolarHBondContact O-CB 3.44Å; F328-L331 PolarHBondContact O-N 3.32Å; F328-L331 VanDerWaalsContact O-N 3.09Å; A329-L331 VanDerWaalsContact C-N 3.34Å; A329-L331 PolarHBondContact O-N 3.36Å; L331-I333 PolarHBondContact O-N 3.46Å; L331-K334 PolarHBondContact O-N 2.95Å; L331-W335 WeakPolarHBondContact O-CB 3.47Å; L331-W335 PolarHBondContact O-N 3.4Å |
| 332 | T | 92.3 | Very high | 92.7 | Very high | 48 Ų | 48 | 111 Ų | 111 | 29% | 0.294 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 176.3 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | F328 A329 W335 I336 | F328-T332 PolarHBondContact O-N 2.88Å; F328-T332 PolarHBondContact O-OG1 3.48Å; A329-T332 PolarHBondContact O-N 3.26Å; T332-W335 PolarHBondContact O-N 3.46Å; T332-I336 HydrophobicContact CG2-CD1 3.9Å; T332-I336 HydrophobicContact CG2-CG1 4.45Å; T332-I336 VanDerWaalsContact O-CG1 3.27Å; T332-I336 WeakPolarHBondContact O-CG1 3.4Å; T332-I336 PolarHBondContact O-N 2.94Å |
| 333 | I | 93.6 | Very high | 92.4 | Very high | 99 Ų | 99 | 111.7 Ų | 111.7 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.4 | -47 | 175.5 | -69.5 | 164.8 | 0 | 0 | 0 | 110.8 | A329 K330 L331 W335 I336 I337 | A329-I333 VanDerWaalsContact O-CG1 3.26Å; A329-I333 WeakPolarHBondContact O-CG1 3.29Å; A329-I333 PolarHBondContact O-N 3.42Å; K330-I333 PolarHBondContact O-N 2.95Å; L331-I333 PolarHBondContact O-N 3.46Å; I333-W335 VanDerWaalsContact C-N 3.27Å; I333-W335 PolarHBondContact O-N 2.95Å; I333-I336 PolarHBondContact O-N 2.85Å; I333-I337 HydrophobicContact CG2-CD1 3.8Å; I333-I337 HydrophobicContact CG2-CG1 4.47Å; I333-I337 VanDerWaalsContact O-CG1 3.29Å; I333-I337 WeakPolarHBondContact O-CG1 3.36Å; I333-I337 PolarHBondContact O-N 3.08Å |
| 334 | K | 93.4 | Very high | 92.2 | Very high | 153 Ų | 153 | 110.9 Ų | 110.9 | 67% | 0.665 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.3 | -41.8 | 175.9 | -77.1 | -175.4 | 177.2 | -172.4 | 0 | 111.5 | K330 L331 I337 K338 | K330-K334 WeakPolarHBondContact O-CG 3.4Å; K330-K334 PolarHBondContact O-N 2.83Å; L331-K334 PolarHBondContact O-N 2.95Å; K334-I337 PolarHBondContact O-N 3.4Å; K334-K338 WeakPolarHBondContact O-CB 3.29Å; K334-K338 PolarHBondContact O-N 3.35Å |
| 335 | W | 91.9 | Very high | 91.8 | Very high | 159 Ų | 159 | 110.1 Ų | 110.1 | 60% | 0.602 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.8 | -44.3 | 178.9 | -171.6 | 77.9 | 0 | 0 | 0 | 112.4 | L331 T332 I333 I337 K338 M339 | L331-W335 WeakPolarHBondContact O-CB 3.47Å; L331-W335 PolarHBondContact O-N 3.4Å; T332-W335 PolarHBondContact O-N 3.46Å; I333-W335 VanDerWaalsContact C-N 3.27Å; I333-W335 PolarHBondContact O-N 2.95Å; W335-I337 VanDerWaalsContact C-N 3.35Å; W335-I337 PolarHBondContact O-N 3.01Å; W335-K338 WeakPolarHBondContact O-CB 3.21Å; W335-K338 PolarHBondContact O-N 3.48Å; W335-M339 HydrophobicContact CD2-CE 3.93Å; W335-M339 HydrophobicContact CE3-CE 3.5Å; W335-M339 VanDerWaalsContact CE3-CE 3.5Å; W335-M339 HydrophobicContact CH2-CE 3.02Å; W335-M339 HydrophobicContact CZ2-CE 3.45Å; W335-M339 VanDerWaalsContact CZ2-CE 3.45Å; W335-M339 HydrophobicContact CZ3-CE 3.04Å; W335-M339 WeakPolarHBondContact O-CB 3.47Å; W335-M339 PolarHBondContact O-N 3.39Å |
| 336 | I | 93.5 | Very high | 91.4 | Very high | 93 Ų | 93 | 112.7 Ų | 112.7 | 48% | 0.477 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 174.6 | -70.4 | 166.8 | 0 | 0 | 0 | 110.8 | T332 I333 K338 M339 R340 | T332-I336 HydrophobicContact CG2-CD1 3.9Å; T332-I336 HydrophobicContact CG2-CG1 4.45Å; T332-I336 VanDerWaalsContact O-CG1 3.27Å; T332-I336 WeakPolarHBondContact O-CG1 3.4Å; T332-I336 PolarHBondContact O-N 2.94Å; I333-I336 PolarHBondContact O-N 2.85Å; I336-K338 VanDerWaalsContact C-N 3.35Å; I336-K338 PolarHBondContact O-N 3.32Å; I336-M339 PolarHBondContact O-N 3.21Å; I336-R340 WeakPolarHBondContact O-CB 3.31Å; I336-R340 PolarHBondContact O-N 3.06Å |
| 337 | I | 92.3 | Very high | 90.9 | Very high | 86 Ų | 86 | 116.7 Ų | 116.7 | 44% | 0.441 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 176.6 | -67.6 | 166.5 | 0 | 0 | 0 | 110.5 | I333 K334 W335 M339 R340 K341 | I333-I337 HydrophobicContact CG2-CD1 3.8Å; I333-I337 HydrophobicContact CG2-CG1 4.47Å; I333-I337 VanDerWaalsContact O-CG1 3.29Å; I333-I337 WeakPolarHBondContact O-CG1 3.36Å; I333-I337 PolarHBondContact O-N 3.08Å; K334-I337 PolarHBondContact O-N 3.4Å; W335-I337 VanDerWaalsContact C-N 3.35Å; W335-I337 PolarHBondContact O-N 3.01Å; I337-M339 VanDerWaalsContact C-N 3.34Å; I337-M339 PolarHBondContact O-N 3.33Å; I337-R340 PolarHBondContact O-N 3.28Å; I337-K341 HydrophobicContact CG2-CD 4.39Å; I337-K341 WeakPolarHBondContact O-CG 3.09Å; I337-K341 PolarHBondContact O-N 2.91Å |
| 338 | K | 93.4 | Very high | 90.1 | Very high | 116 Ų | 116 | 114.5 Ų | 114.5 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 178 | -172.8 | 174.5 | -177 | 174.8 | 0 | 111.3 | K334 W335 I336 K341 R342 | K334-K338 WeakPolarHBondContact O-CB 3.29Å; K334-K338 PolarHBondContact O-N 3.35Å; W335-K338 WeakPolarHBondContact O-CB 3.21Å; W335-K338 PolarHBondContact O-N 3.48Å; I336-K338 VanDerWaalsContact C-N 3.35Å; I336-K338 PolarHBondContact O-N 3.32Å; K338-K341 PolarHBondContact O-N 3.5Å; K338-R342 WeakPolarHBondContact O-CG 3.32Å; K338-R342 PolarHBondContact O-N 2.95Å |
| 339 | M | 91.9 | Very high | 89.4 | Confident | 65 Ų | 65 | 117 Ų | 117 | 32% | 0.32 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.7 | -43.7 | 178.3 | -160.3 | -160.4 | -57.7 | 0 | 0 | 111.6 | W335 I336 I337 K341 R342 H343 | W335-M339 HydrophobicContact CD2-CE 3.93Å; W335-M339 HydrophobicContact CE3-CE 3.5Å; W335-M339 VanDerWaalsContact CE3-CE 3.5Å; W335-M339 HydrophobicContact CH2-CE 3.02Å; W335-M339 HydrophobicContact CZ2-CE 3.45Å; W335-M339 VanDerWaalsContact CZ2-CE 3.45Å; W335-M339 HydrophobicContact CZ3-CE 3.04Å; W335-M339 WeakPolarHBondContact O-CB 3.47Å; W335-M339 PolarHBondContact O-N 3.39Å; I336-M339 PolarHBondContact O-N 3.21Å; I337-M339 VanDerWaalsContact C-N 3.34Å; I337-M339 PolarHBondContact O-N 3.33Å; M339-K341 VanDerWaalsContact C-N 3.33Å; M339-K341 PolarHBondContact O-N 3.26Å; M339-R342 WeakPolarHBondContact O-CB 3.28Å; M339-R342 PolarHBondContact O-N 3.49Å; M339-R342 VanDerWaalsContact O-N 3.08Å; M339-H343 PolarHBondContact O-CD2 3.03Å; M339-H343 PolarHBondContact O-N 2.78Å |
| 340 | R | 91.8 | Very high | 88.5 | Confident | 182 Ų | 182 | 119.5 Ų | 119.5 | 69% | 0.687 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.6 | -42.7 | 175 | -171.3 | 177.9 | -178.7 | -173.6 | 0.6 | 111.8 | I336 I337 R342 H343 L344 | I336-R340 WeakPolarHBondContact O-CB 3.31Å; I336-R340 PolarHBondContact O-N 3.06Å; I337-R340 PolarHBondContact O-N 3.28Å; R340-R342 VanDerWaalsContact C-N 3.34Å; R340-R342 PolarHBondContact O-N 2.88Å; R340-H343 PolarHBondContact O-N 2.94Å; R340-L344 HydrophobicContact CG-CD1 4.37Å; R340-L344 WeakPolarHBondContact O-CG 3.43Å; R340-L344 PolarHBondContact O-N 2.89Å |
| 341 | K | 92.3 | Very high | 87.5 | Confident | 138 Ų | 138 | 118.6 Ų | 118.6 | 60% | 0.6 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.6 | -39.8 | 173.8 | -75.3 | -178 | 179 | -174.9 | 0 | 111.9 | I337 K338 M339 K345 | I337-K341 HydrophobicContact CG2-CD 4.39Å; I337-K341 WeakPolarHBondContact O-CG 3.09Å; I337-K341 PolarHBondContact O-N 2.91Å; K338-K341 PolarHBondContact O-N 3.5Å; M339-K341 VanDerWaalsContact C-N 3.33Å; M339-K341 PolarHBondContact O-N 3.26Å; K341-K345 WeakPolarHBondContact O-CG 3.41Å; K341-K345 PolarHBondContact O-N 3.23Å; K341-K345 VanDerWaalsContact O-N 3.1Å |
| 342 | R | 89 | Confident | 86.2 | Confident | 158 Ų | 158 | 119.3 Ų | 119.3 | 60% | 0.596 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.3 | -45.6 | 175.6 | -74 | 175.8 | 176.3 | -176.8 | -5.6 | 112.1 | K338 M339 R340 L344 K345 H346 | K338-R342 WeakPolarHBondContact O-CG 3.32Å; K338-R342 PolarHBondContact O-N 2.95Å; M339-R342 WeakPolarHBondContact O-CB 3.28Å; M339-R342 PolarHBondContact O-N 3.49Å; M339-R342 VanDerWaalsContact O-N 3.08Å; R340-R342 VanDerWaalsContact C-N 3.34Å; R340-R342 PolarHBondContact O-N 2.88Å; R342-L344 PolarHBondContact O-N 2.92Å; R342-K345 PolarHBondContact O-N 3.41Å; R342-H346 PolarHBondContact O-N 2.89Å |
| 343 | H | 87.9 | Confident | 84.7 | Confident | 126 Ų | 126 | 121.4 Ų | 121.4 | 58% | 0.583 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.7 | -42.8 | 176.1 | -84 | -71.9 | 0 | 0 | 0 | 112.7 | M339 R340 K345 H346 K347 | M339-H343 PolarHBondContact O-CD2 3.03Å; M339-H343 PolarHBondContact O-N 2.78Å; R340-H343 PolarHBondContact O-N 2.94Å; H343-K345 PolarHBondContact O-N 2.89Å; H343-H346 PolarHBondContact O-N 2.86Å; H343-K347 WeakPolarHBondContact O-CB 3.25Å; H343-K347 PolarHBondContact O-N 3.34Å |
| 344 | L | 87.3 | Confident | 82.9 | Confident | 109 Ų | 109 | 123.6 Ų | 123.6 | 57% | 0.571 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63 | -41.4 | 176.2 | -74 | 167.7 | 0 | 0 | 0 | 112.1 | R340 R342 K347 A348 | R340-L344 HydrophobicContact CG-CD1 4.37Å; R340-L344 WeakPolarHBondContact O-CG 3.43Å; R340-L344 PolarHBondContact O-N 2.89Å; R342-L344 PolarHBondContact O-N 2.92Å; L344-K347 PolarHBondContact O-N 3.5Å; L344-A348 WeakPolarHBondContact O-CB 3.45Å; L344-A348 PolarHBondContact O-N 3.23Å |
| 345 | K | 85.6 | Confident | 80.8 | Confident | 149 Ų | 149 | 124 Ų | 124 | 65% | 0.648 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.9 | -39.6 | 174.4 | -76 | -174.6 | 177.6 | -170.1 | 0 | 112.4 | K341 R342 H343 R349 | K341-K345 WeakPolarHBondContact O-CG 3.41Å; K341-K345 PolarHBondContact O-N 3.23Å; K341-K345 VanDerWaalsContact O-N 3.1Å; R342-K345 PolarHBondContact O-N 3.41Å; H343-K345 PolarHBondContact O-N 2.89Å; K345-R349 WeakPolarHBondContact O-CG 3.43Å; K345-R349 PolarHBondContact O-N 3.38Å; K345-R349 VanDerWaalsContact O-N 3.12Å |
| 346 | H | 84.7 | Confident | 80.2 | Confident | 111 Ų | 111 | 122.3 Ų | 122.3 | 51% | 0.514 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.2 | -48.7 | 176.8 | -164.7 | -87.9 | 0 | 0 | 0 | 111.5 | R342 H343 A348 R349 E350 | R342-H346 PolarHBondContact O-N 2.89Å; H343-H346 PolarHBondContact O-N 2.86Å; H346-A348 VanDerWaalsContact C-N 3.3Å; H346-A348 PolarHBondContact O-N 3.39Å; H346-R349 WeakPolarHBondContact O-CB 3.4Å; H346-R349 PolarHBondContact O-N 3.16Å; H346-E350 IonicContact CE1-OE1 3.38Å; H346-E350 PolarHBondContact CE1-OE1 3.5Å; H346-E350 IonicContact ND1-OE1 3.8Å; H346-E350 PolarHBondContact ND1-OE1 3.1Å; H346-E350 IonicContact ND1-OE2 2.71Å; H346-E350 PolarHBondContact O-N 3.31Å |
| 347 | K | 82.8 | Confident | 79.5 | Confident | 133 Ų | 133 | 123.8 Ų | 123.8 | 58% | 0.578 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.4 | -38.1 | 178.1 | -170 | 174.7 | -177.8 | 176.8 | 0 | 112.7 | H343 L344 L351 | H343-K347 WeakPolarHBondContact O-CB 3.25Å; H343-K347 PolarHBondContact O-N 3.34Å; L344-K347 PolarHBondContact O-N 3.5Å; K347-L351 HydrophobicContact CG-CD1 4.29Å; K347-L351 WeakPolarHBondContact O-CD1 3.47Å; K347-L351 WeakPolarHBondContact O-CG 3.43Å; K347-L351 PolarHBondContact O-N 3.35Å |
| 348 | A | 77.9 | Confident | 78.8 | Confident | 47 Ų | 47 | 125.9 Ų | 125.9 | 39% | 0.388 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.8 | -34.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L344 H346 N352 | L344-A348 WeakPolarHBondContact O-CB 3.45Å; L344-A348 PolarHBondContact O-N 3.23Å; H346-A348 VanDerWaalsContact C-N 3.3Å; H346-A348 PolarHBondContact O-N 3.39Å; A348-N352 VanDerWaalsContact O-CG 3.29Å; A348-N352 PolarHBondContact O-N 3.31Å; A348-N352 PolarHBondContact O-ND2 3.12Å |
| 349 | R | 76.1 | Confident | 77.9 | Confident | 195 Ų | 195 | 126.5 Ų | 126.5 | 74% | 0.736 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.2 | -42 | 175.2 | -75.6 | 177 | 177.2 | -175.9 | -3.4 | 112.1 | K345 H346 L351 N352 S353 | K345-R349 WeakPolarHBondContact O-CG 3.43Å; K345-R349 PolarHBondContact O-N 3.38Å; K345-R349 VanDerWaalsContact O-N 3.12Å; H346-R349 WeakPolarHBondContact O-CB 3.4Å; H346-R349 PolarHBondContact O-N 3.16Å; R349-L351 PolarHBondContact O-N 3.22Å; R349-N352 PolarHBondContact O-N 3.03Å; R349-S353 PolarHBondContact O-N 3.48Å; R349-S353 PolarHBondContact O-OG 3.18Å |
| 350 | E | 76.6 | Confident | 77.1 | Confident | 98 Ų | 98 | 130.4 Ų | 130.4 | 46% | 0.458 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.1 | -37.9 | 177.1 | -70.4 | 174.5 | 153.5 | 0 | 0 | 112.7 | H346 S353 I354 | H346-E350 IonicContact CE1-OE1 3.38Å; H346-E350 PolarHBondContact CE1-OE1 3.5Å; H346-E350 IonicContact ND1-OE1 3.8Å; H346-E350 PolarHBondContact ND1-OE1 3.1Å; H346-E350 IonicContact ND1-OE2 2.71Å; H346-E350 PolarHBondContact O-N 3.31Å; E350-S353 PolarHBondContact O-N 3.03Å; E350-S353 PolarHBondContact O-OG 3.49Å; E350-I354 WeakPolarHBondContact O-CD1 3.46Å; E350-I354 WeakPolarHBondContact O-CG1 3.43Å |
| 351 | L | 72.3 | Confident | 76.1 | Confident | 113 Ų | 113 | 126.9 Ų | 126.9 | 59% | 0.592 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.2 | -34.5 | 176.8 | -76.5 | 161.9 | 0 | 0 | 0 | 112.7 | K347 R349 S353 | K347-L351 HydrophobicContact CG-CD1 4.29Å; K347-L351 WeakPolarHBondContact O-CD1 3.47Å; K347-L351 WeakPolarHBondContact O-CG 3.43Å; K347-L351 PolarHBondContact O-N 3.35Å; R349-L351 PolarHBondContact O-N 3.22Å; L351-S353 VanDerWaalsContact C-N 3.35Å |
| 352 | N | 64.6 | Low | 74.9 | Confident | 128 Ų | 128 | 126.1 Ų | 126.1 | 68% | 0.684 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -77.8 | -17.1 | 178.8 | -71.7 | -14.8 | 0 | 0 | 0 | 113.6 | A348 R349 I354 | A348-N352 VanDerWaalsContact O-CG 3.29Å; A348-N352 PolarHBondContact O-N 3.31Å; A348-N352 PolarHBondContact O-ND2 3.12Å; R349-N352 PolarHBondContact O-N 3.03Å; N352-I354 VanDerWaalsContact C-N 3.35Å |
| 353 | S | 59.3 | Low | 73.8 | Confident | 91 Ų | 91 | 123.7 Ų | 123.7 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -1.2 | 176.5 | 52.5 | 0 | 0 | 0 | 0 | 114.5 | R349 E350 L351 | R349-S353 PolarHBondContact O-N 3.48Å; R349-S353 PolarHBondContact O-OG 3.18Å; E350-S353 PolarHBondContact O-N 3.03Å; E350-S353 PolarHBondContact O-OG 3.49Å; L351-S353 VanDerWaalsContact C-N 3.35Å |
| 354 | I | 56.8 | Low | 72.7 | Confident | 146 Ų | 146 | 123.5 Ų | 123.5 | 75% | 0.749 | 64% | 0.641 | S | S | * | * | trans | -110.9 | -5.9 | -177.1 | -61.9 | 169.5 | 0 | 0 | 0 | 111.8 | E350 N352 | E350-I354 WeakPolarHBondContact O-CD1 3.46Å; E350-I354 WeakPolarHBondContact O-CG1 3.43Å; N352-I354 VanDerWaalsContact C-N 3.35Å | ||
| 355 | S | 48.1 | Very low | 71.3 | Confident | 162 Ų | 162 | 124.8 Ų | 124.8 | 100% | 1.133 | 65% | 0.647 | S | S | * | * | trans | -98.1 | 0 | 169.1 | -175.4 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 355 of 355 residues in 94.6 ms
(Link to these results)