| 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 | 43.4 | Very low | 45.3 | Very low | 141 Ų | 141 | 121.9 Ų | 121.9 | 70% | 0.695 | 68% | 0.677 | S | S | * | * | 0 | 108.3 | 0 | -151.6 | 172.2 | -157.1 | 0 | 0 | 105.7 | I248 | M1-I248 HydrophobicContact CE-CD1 4.37Å; M1-I248 HydrophobicContact CE-CG1 4.45Å; M1-I248 HydrophobicContact SD-CD1 3.41Å; M1-I248 WeakPolarHBondContact SD-CD1 3.49Å; M1-I248 HydrophobicContact SD-CG1 4.1Å | |||
| 2 | V | 39.5 | Very low | 45.5 | Very low | 66 Ų | 66 | 117.9 Ų | 117.9 | 40% | 0.4 | 68% | 0.684 | S | S | . | * | trans | -81.6 | 126 | 179.6 | -175.6 | 0 | 0 | 0 | 0 | 106.5 | D176 | V2-D176 WeakPolarHBondContact CG2-O 3.2Š| ||
| 3 | L | 44.1 | Very low | 45.3 | Very low | 61 Ų | 61 | 117.7 Ų | 117.7 | 32% | 0.319 | 69% | 0.693 | S | S | . | * | trans | -102.4 | 99.6 | 174 | -69 | 174.4 | 0 | 0 | 0 | 107.5 | Y5 | L3-Y5 HydrophobicContact CB-CD2 4.37Å; L3-Y5 HydrophobicContact CB-CE2 4.12Å | ||
| 4 | D | 54.3 | Low | 44.9 | Very low | 145 Ų | 145 | 115.9 Ų | 115.9 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | trans | -76 | 120.6 | 166.6 | -68.3 | -34.4 | 0 | 0 | 0 | 108.4 | ||||
| 5 | Y | 52.8 | Low | 45.2 | Very low | 103 Ų | 103 | 115.5 Ų | 115.5 | 40% | 0.404 | 70% | 0.699 | S | S | . | * | trans | -101.5 | 108.6 | 172.4 | -79.7 | -98.9 | 0 | 0 | 0 | 108.1 | L3 S7 R250 | L3-Y5 HydrophobicContact CB-CD2 4.37Å; L3-Y5 HydrophobicContact CB-CE2 4.12Å; Y5-S7 PolarHBondContact O-N 3.46Å; Y5-R250 PolarHBondContact OH-NE 2.99Å; Y5-R250 PolarHBondContact OH-NH1 3.34Å; Y5-R250 PolarHBondContact OH-NH2 3.46Å | ||
| 6 | D | 44.8 | Very low | 45.2 | Very low | 169 Ų | 169 | 118.8 Ų | 118.8 | 90% | 0.904 | 71% | 0.71 | S | S | * | * | trans | -75.4 | 113.2 | 156.2 | -95.1 | -44.4 | 0 | 0 | 0 | 108.1 | ||||
| 7 | S | 51.3 | Low | 44.9 | Very low | 84 Ų | 84 | 115.4 Ų | 115.4 | 59% | 0.587 | 70% | 0.704 | S | S | * | * | trans | -128 | 94.3 | 169.6 | 61.9 | 0 | 0 | 0 | 0 | 108.4 | Y5 V9 | Y5-S7 PolarHBondContact O-N 3.46Å; S7-V9 PolarHBondContact O-N 2.91Å | ||
| 8 | D | 42.5 | Very low | 45 | Very low | 167 Ų | 167 | 119.1 Ų | 119.1 | 89% | 0.893 | 71% | 0.713 | S | S | * | * | trans | -69.1 | 108.3 | 162.9 | -85.1 | -34.3 | 0 | 0 | 0 | 108.9 | ||||
| 9 | V | 44.5 | Very low | 45.1 | Very low | 130 Ų | 130 | 120.4 Ų | 120.4 | 79% | 0.788 | 71% | 0.71 | S | S | * | * | trans | -124.9 | 94.4 | 163.9 | -178.2 | 0 | 0 | 0 | 0 | 107 | S7 | S7-V9 PolarHBondContact O-N 2.91Š| ||
| 10 | S | 40.2 | Very low | 45.3 | Very low | 127 Ų | 127 | 121.7 Ų | 121.7 | 89% | 0.888 | 71% | 0.711 | S | S | * | * | trans | -81.3 | 109.3 | 167.7 | 59.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 11 | D | 41.4 | Very low | 45.3 | Very low | 148 Ų | 148 | 123 Ų | 123 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | trans | -130.1 | 123.7 | 161.5 | -163.4 | 8.2 | 0 | 0 | 0 | 108.2 | ||||
| 12 | G | 46.9 | Very low | 45.1 | Very low | 74 Ų | 74 | 125.1 Ų | 125.1 | 76% | 0.763 | 72% | 0.723 | S | S | * | * | trans | -175.1 | 67.1 | -162.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 13 | S | 43.1 | Very low | 45.4 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -30 | 139.9 | 166.4 | -51.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 14 | A | 40 | Very low | 45.3 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | trans | -77.4 | -162.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 15 | P | 50 | Low | 44.6 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | cis | -144 | -169.3 | -10.8 | 32.9 | -8.2 | 0 | 0 | 0 | 115.7 | ||||
| 16 | I | 43.7 | Very low | 44.3 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | 95.2 | 121.7 | 151 | -73.1 | 155.5 | 0 | 0 | 0 | 119.8 | ||||
| 17 | G | 41.3 | Very low | 43.7 | Very low | 60 Ų | 60 | 132.4 Ų | 132.4 | 62% | 0.619 | 78% | 0.783 | S | S | * | * | trans | 135 | 101.2 | 132.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 18 | E | 46.1 | Very low | 43.2 | Very low | 183 Ų | 183 | 133 Ų | 133 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | 60.9 | 145.1 | 141.1 | -61.2 | 176.4 | 170.9 | 0 | 0 | 119.5 | ||||
| 19 | E | 46.6 | Very low | 43.1 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | cis | -168.7 | 149.8 | -6 | -106.8 | -162.6 | 165.8 | 0 | 0 | 106.4 | ||||
| 20 | M | 49.5 | Very low | 42.9 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | trans | 60.8 | 141.4 | 148.9 | -65.4 | 177.9 | -172.8 | 0 | 0 | 118.8 | ||||
| 21 | D | 45.3 | Very low | 42.8 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | cis | -158.3 | 151.3 | 26.2 | -110.7 | -32.3 | 0 | 0 | 0 | 110.9 | ||||
| 22 | E | 39.7 | Very low | 42.6 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -74.9 | 147.5 | 173.9 | -71.9 | 175.2 | 104.3 | 0 | 0 | 113.2 | ||||
| 23 | S | 45.1 | Very low | 42.3 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -169.7 | 96.7 | 138 | 27.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 24 | S | 42.2 | Very low | 42 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | 31.9 | 131.3 | 125.4 | 64.2 | 0 | 0 | 0 | 0 | 122 | |||||
| 25 | D | 39.8 | Very low | 41.8 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 81.5 | 114.6 | 140.7 | -54.6 | -27.2 | 0 | 0 | 0 | 118.9 | ||||
| 26 | L | 46.4 | Very low | 41.2 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | -178.3 | 119.7 | 99.3 | -86.7 | 170.7 | 0 | 0 | 0 | 111 | |||||
| 27 | N | 32.4 | Very low | 40.9 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 92% | 0.92 | 78% | 0.78 | S | S | * | * | trans | -89.2 | 128 | 176.3 | -150 | 10.5 | 0 | 0 | 0 | 109 | ||||
| 28 | S | 40.4 | Very low | 40.9 | Very low | 97 Ų | 97 | 146.4 Ų | 146.4 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -161.4 | 118.3 | 171.3 | 174.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 29 | S | 40.7 | Very low | 40.6 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | 70.2 | 140.4 | 144.3 | -52.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 30 | S | 39.7 | Very low | 40.6 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | cis | -175.1 | 153.2 | 8.4 | 157.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 31 | D | 38.1 | Very low | 40.5 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -46.1 | 151.8 | 175.5 | -66.6 | -55.5 | 0 | 0 | 0 | 116.3 | ||||
| 32 | G | 38.2 | Very low | 40.5 | Very low | 77 Ų | 77 | 149.5 Ų | 149.5 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 172.6 | 76.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 33 | E | 40.8 | Very low | 41.2 | Very low | 177 Ų | 177 | 146.4 Ų | 146.4 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | 22.9 | 135.2 | 146.4 | -64 | -171.9 | 157.4 | 0 | 0 | 123.5 | ||||
| 34 | E | 35.7 | Very low | 41.2 | Very low | 137 Ų | 137 | 150.1 Ų | 150.1 | 64% | 0.64 | 80% | 0.798 | S | S | * | * | trans | 80.8 | 127.6 | 135.8 | -82.4 | -160.1 | 176.3 | 0 | 0 | 122.4 | ||||
| 35 | R | 36.2 | Very low | 41 | Very low | 213 Ų | 213 | 149.3 Ų | 149.3 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 80.4 | 130.8 | 154.5 | -59.7 | 154 | -174.5 | -105.7 | -5.4 | 114.8 | ||||
| 36 | S | 38.3 | Very low | 41 | Very low | 102 Ų | 102 | 148.8 Ų | 148.8 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | cis | -168 | 139.9 | 27.4 | 43.7 | 0 | 0 | 0 | 0 | 109.6 | V38 | S36-V38 PolarHBondContact O-N 2.96Š| ||
| 37 | R | 37.1 | Very low | 40.9 | Very low | 242 Ų | 242 | 148.2 Ų | 148.2 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | trans | -71.8 | 114.1 | 165.3 | -80.7 | 176.8 | 173.8 | 159.5 | -2.2 | 108.3 | T39 | R37-T39 PolarHBondContact O-N 3.41Å; R37-T39 VanDerWaalsContact O-N 3.08Å | ||
| 38 | V | 40 | Very low | 41.3 | Very low | 138 Ų | 138 | 145.2 Ų | 145.2 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -73.7 | 98.3 | 170.7 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | S36 | S36-V38 PolarHBondContact O-N 2.96Š| ||
| 39 | T | 40.8 | Very low | 41.5 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -77.2 | 129.7 | 164.7 | 31.4 | 0 | 0 | 0 | 0 | 107.9 | R37 R41 | R37-T39 PolarHBondContact O-N 3.41Å; R37-T39 VanDerWaalsContact O-N 3.08Å; T39-R41 PolarHBondContact O-N 2.76Å; T39-R41 VanDerWaalsContact O-N 3.1Å | ||
| 40 | Q | 47.3 | Very low | 41.4 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -55.5 | 114.9 | 173.5 | -70.4 | -173.1 | -20.8 | 0 | 0 | 108.9 | N42 | Q40-N42 PolarHBondContact O-N 2.8Š| ||
| 41 | R | 47 | Very low | 41.7 | Very low | 228 Ų | 228 | 150.4 Ų | 150.4 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -78 | 117.3 | 172.3 | -78.4 | -178.6 | 173.4 | 120.6 | -2.3 | 107.7 | T39 V43 | T39-R41 PolarHBondContact O-N 2.76Å; T39-R41 VanDerWaalsContact O-N 3.1Å; R41-V43 PolarHBondContact O-N 3.32Å | ||
| 42 | N | 44.2 | Very low | 41.7 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -63.6 | 117.4 | 164 | -75.1 | -9.6 | 0 | 0 | 0 | 108.5 | Q40 | Q40-N42 PolarHBondContact O-N 2.8Š| ||
| 43 | V | 54.5 | Low | 41.7 | Very low | 120 Ų | 120 | 157 Ų | 157 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -110.2 | 55.5 | 178.7 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | R41 | R41-V43 PolarHBondContact O-N 3.32Š| ||
| 44 | F | 45 | Very low | 41.5 | Very low | 191 Ų | 191 | 155 Ų | 155 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -145.6 | 123.8 | 161.8 | -79.8 | -74.7 | 0 | 0 | 0 | 107.6 | D46 | F44-D46 PolarHBondContact O-N 3.5Š|
| 45 | G | 39.3 | Very low | 41.6 | Very low | 77 Ų | 77 | 157.3 Ų | 157.3 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -63.1 | 125.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | D47 | G45-D47 PolarHBondContact O-N 3.34Š| ||
| 46 | D | 39.3 | Very low | 41.7 | Very low | 133 Ų | 133 | 152.9 Ų | 152.9 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -80.8 | 86.7 | 169.6 | -175.3 | 31.5 | 0 | 0 | 0 | 107.7 | F44 T48 | F44-D46 PolarHBondContact O-N 3.5Å; D46-T48 PolarHBondContact O-N 3.41Å; D46-T48 WeakPolarHBondContact OD2-CG2 3.41Å | ||
| 47 | D | 44.5 | Very low | 41.8 | Very low | 163 Ų | 163 | 157.9 Ų | 157.9 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | trans | -73 | 87.5 | 166.6 | -83.6 | -32.1 | 0 | 0 | 0 | 108 | G45 D49 | G45-D47 PolarHBondContact O-N 3.34Å; D47-D49 PolarHBondContact O-N 2.77Å | ||
| 48 | T | 40.7 | Very low | 41.8 | Very low | 109 Ų | 109 | 155 Ų | 155 | 67% | 0.669 | 82% | 0.815 | S | S | * | * | trans | -80.4 | 89.7 | 172.7 | 30.1 | 0 | 0 | 0 | 0 | 109.6 | D46 S50 | D46-T48 PolarHBondContact O-N 3.41Å; D46-T48 WeakPolarHBondContact OD2-CG2 3.41Å; T48-S50 PolarHBondContact O-N 2.87Å | ||
| 49 | D | 44.3 | Very low | 41.8 | Very low | 161 Ų | 161 | 159.4 Ų | 159.4 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | -74.5 | 117.1 | 161.5 | -99.1 | -31.9 | 0 | 0 | 0 | 109.8 | D47 D51 | D47-D49 PolarHBondContact O-N 2.77Å; D49-D51 PolarHBondContact O-N 2.79Å | ||
| 50 | S | 39 | Very low | 42 | Very low | 104 Ų | 104 | 162.7 Ų | 162.7 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -88.9 | 90 | -174 | -164.3 | 0 | 0 | 0 | 0 | 110.2 | T48 | T48-S50 PolarHBondContact O-N 2.87Š| ||
| 51 | D | 45.5 | Very low | 41.6 | Very low | 162 Ų | 162 | 159.8 Ų | 159.8 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | trans | -97.9 | 114 | 166.6 | -81.8 | -32.2 | 0 | 0 | 0 | 111.4 | D49 E53 | D49-D51 PolarHBondContact O-N 2.79Å; D51-E53 PolarHBondContact O-N 3.34Å | ||
| 52 | K | 37.8 | Very low | 41.1 | Very low | 195 Ų | 195 | 160.4 Ų | 160.4 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | trans | -74.2 | 112.3 | 174.6 | -68.1 | 168.4 | 178.8 | 167.1 | 0 | 109 | ||||
| 53 | E | 38.2 | Very low | 40.8 | Very low | 185 Ų | 185 | 160.7 Ų | 160.7 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -139.4 | 119.2 | 153 | -102.3 | -174 | 171.5 | 0 | 0 | 113.2 | D51 | D51-E53 PolarHBondContact O-N 3.34Š| ||
| 54 | T | 36.4 | Very low | 40 | Very low | 135 Ų | 135 | 163.4 Ų | 163.4 | 83% | 0.828 | 83% | 0.829 | S | S | * | * | trans | -22.7 | 123.1 | 165.3 | 27.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 55 | Q | 37.7 | Very low | 39.8 | Very low | 185 Ų | 185 | 163 Ų | 163 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 137 | 163 | -68.9 | -150.5 | 2.1 | 0 | 0 | 112.7 | ||
| 56 | P | 39.4 | Very low | 39.6 | Very low | 121 Ų | 121 | 167.3 Ų | 167.3 | 79% | 0.786 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 133.4 | 156.5 | 31.8 | -23.8 | 0 | 0 | 0 | 110.8 | ||
| 57 | K | 39.9 | Very low | 39.6 | Very low | 206 Ų | 206 | 166.7 Ų | 166.7 | 90% | 0.896 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 126.7 | -177 | -68 | 173.2 | 176.3 | 174.8 | 0 | 112.7 | R59 | K57-R59 PolarHBondContact O-N 2.74Š|
| 58 | H | 36.6 | Very low | 39.1 | Very low | 182 Ų | 182 | 167.2 Ų | 167.2 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 116.5 | 168.2 | -149.2 | -33.2 | 0 | 0 | 0 | 110.2 | ||
| 59 | R | 41.6 | Very low | 39.1 | Very low | 231 Ų | 231 | 171.1 Ų | 171.1 | 87% | 0.872 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 137.6 | 160.5 | -89.4 | 176.9 | 80 | -151.9 | 5.8 | 108.9 | K57 | K57-R59 PolarHBondContact O-N 2.74Š|
| 60 | Q | 43.3 | Very low | 38.7 | Very low | 184 Ų | 184 | 171 Ų | 171 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 149 | 178.3 | -62.3 | -174.3 | -21.5 | 0 | 0 | 112 | ||
| 61 | P | 39.1 | Very low | 38.7 | Very low | 126 Ų | 126 | 171.5 Ų | 171.5 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 132.3 | 163.9 | 33.7 | -25.8 | 0 | 0 | 0 | 109.9 | ||
| 62 | R | 37.3 | Very low | 38.2 | Very low | 242 Ų | 242 | 170.8 Ų | 170.8 | 91% | 0.913 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 128.6 | 171 | -154.8 | 176.7 | -174 | 164.3 | 0.3 | 107.7 | ||
| 63 | L | 36.8 | Very low | 38.3 | Very low | 162 Ų | 162 | 170.3 Ų | 170.3 | 85% | 0.848 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 136.3 | 172.7 | -67.2 | 139.8 | 0 | 0 | 0 | 111.9 | ||
| 64 | E | 39.4 | Very low | 38.2 | Very low | 177 Ų | 177 | 170.2 Ų | 170.2 | 83% | 0.827 | 84% | 0.84 | S | S | * | * | trans | -169.5 | 112.2 | 141.7 | -105.6 | 163.5 | -147.5 | 0 | 0 | 112 | ||||
| 65 | Q | 40.4 | Very low | 38.3 | Very low | 184 Ų | 184 | 170 Ų | 170 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | trans | 57.8 | 117.8 | 137.6 | -72.2 | 176.4 | -16.9 | 0 | 0 | 122.4 | ||||
| 66 | D | 35 | Very low | 38.4 | Very low | 166 Ų | 166 | 168.7 Ų | 168.7 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | trans | -42.9 | 129.7 | 158.9 | -64.7 | -47.8 | 0 | 0 | 0 | 114 | ||||
| 67 | S | 39.9 | Very low | 38.2 | Very low | 121 Ų | 121 | 170.3 Ų | 170.3 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -160.7 | 124.2 | 132.6 | 41.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 68 | F | 33.8 | Very low | 38.1 | Very low | 173 Ų | 173 | 167.6 Ų | 167.6 | 76% | 0.759 | 82% | 0.824 | S | S | * | * | trans | -69.7 | 130.6 | 176.9 | 179.9 | -90.9 | 0 | 0 | 0 | 109.9 | ||||
| 69 | E | 40.8 | Very low | 38.1 | Very low | 192 Ų | 192 | 166.7 Ų | 166.7 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | trans | -163.6 | 132.4 | 143.7 | -110.8 | 169.2 | -164.8 | 0 | 0 | 112.1 | ||||
| 70 | E | 35.3 | Very low | 37.9 | Very low | 157 Ų | 157 | 162.5 Ų | 162.5 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | trans | -87.6 | 130.4 | -171.6 | -176.5 | 178.8 | -173 | 0 | 0 | 109.4 | ||||
| 71 | S | 38.2 | Very low | 37.7 | Very low | 115 Ų | 115 | 158.6 Ų | 158.6 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -164.6 | 113.8 | 152.4 | 43.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 72 | D | 36.4 | Very low | 37.8 | Very low | 147 Ų | 147 | 161 Ų | 161 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | trans | -60.1 | 135.9 | 163.4 | -72.7 | -46.2 | 0 | 0 | 0 | 111.3 | ||||
| 73 | H | 38.9 | Very low | 37.8 | Very low | 185 Ų | 185 | 156.9 Ų | 156.9 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | -155 | 102.3 | 147.1 | -99.8 | -60.2 | 0 | 0 | 0 | 110.7 | ||||
| 74 | E | 36.5 | Very low | 37.9 | Very low | 183 Ų | 183 | 156.8 Ų | 156.8 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -63.5 | 136.3 | 158.6 | -64.4 | -175 | 143.5 | 0 | 0 | 110.1 | ||||
| 75 | N | 37.2 | Very low | 37.7 | Very low | 131 Ų | 131 | 157.3 Ų | 157.3 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | -160.2 | 113 | 147.5 | -101.8 | -29.4 | 0 | 0 | 0 | 112.3 | ||||
| 76 | Q | 40.4 | Very low | 37.6 | Very low | 158 Ų | 158 | 157.5 Ų | 157.5 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | trans | 63.1 | 104 | 130.3 | -65.5 | 173.9 | 43.4 | 0 | 0 | 119.4 | ||||
| 77 | L | 36 | Very low | 37.8 | Very low | 155 Ų | 155 | 155.7 Ų | 155.7 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | 44.9 | 114.6 | 117.3 | -64.7 | 165.1 | 0 | 0 | 0 | 117.8 | |||||
| 78 | N | 36.6 | Very low | 37.8 | Very low | 148 Ų | 148 | 158.1 Ų | 158.1 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | -170.5 | 103.9 | 121.6 | -96 | -22.2 | 0 | 0 | 0 | 110.7 | |||||
| 79 | D | 37.3 | Very low | 38.2 | Very low | 163 Ų | 163 | 157.7 Ų | 157.7 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | -72.2 | 121.1 | 156.9 | -78.6 | -39.3 | 0 | 0 | 0 | 108.6 | ||||
| 80 | N | 38.1 | Very low | 38.2 | Very low | 143 Ų | 143 | 155.7 Ų | 155.7 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | trans | -131.5 | 114.8 | 158.9 | -88.5 | -54.9 | 0 | 0 | 0 | 108.7 | ||||
| 81 | A | 38.4 | Very low | 38.5 | Very low | 103 Ų | 103 | 154 Ų | 154 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -57.1 | 131.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 82 | L | 40.7 | Very low | 38.7 | Very low | 175 Ų | 175 | 156.7 Ų | 156.7 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | -124.9 | 107.4 | 162.2 | -100.4 | 157.4 | 0 | 0 | 0 | 108.2 | ||||
| 83 | E | 38.6 | Very low | 38.9 | Very low | 156 Ų | 156 | 157.4 Ų | 157.4 | 73% | 0.729 | 82% | 0.823 | S | S | * | * | trans | -68.6 | 155.2 | 166.9 | -132.5 | 173.7 | -155.4 | 0 | 0 | 110.2 | ||||
| 84 | Q | 37.1 | Very low | 39 | Very low | 161 Ų | 161 | 152.6 Ų | 152.6 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | 80.9 | 104.6 | 158.8 | -56 | 164.4 | 42.1 | 0 | 0 | 117.9 | ||||
| 85 | Q | 36.6 | Very low | 39.1 | Very low | 187 Ų | 187 | 152.2 Ų | 152.2 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | -168.9 | 111.8 | 111.9 | -105.6 | 170.9 | 17 | 0 | 0 | 110.9 | |||||
| 86 | E | 36.8 | Very low | 39.1 | Very low | 189 Ų | 189 | 151.2 Ų | 151.2 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -69.6 | 131.9 | 161.9 | -64.8 | 170.5 | 153.4 | 0 | 0 | 108.5 | ||||
| 87 | T | 41.1 | Very low | 39.1 | Very low | 127 Ų | 127 | 153.2 Ų | 153.2 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | trans | -131.2 | 102.9 | 161.2 | 54.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 88 | E | 39.3 | Very low | 39 | Very low | 173 Ų | 173 | 150.9 Ų | 150.9 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | trans | -59.5 | 135.7 | 164.1 | -60.3 | 175.3 | 148.7 | 0 | 0 | 109.6 | ||||
| 89 | N | 41.3 | Very low | 39 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | -133.4 | 99.5 | 162.2 | -103.5 | -21.4 | 0 | 0 | 0 | 107.8 | ||||
| 90 | D | 40.6 | Very low | 39.1 | Very low | 150 Ų | 150 | 150.2 Ų | 150.2 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | -59.2 | 135.2 | 161.4 | -81.5 | -47.3 | 0 | 0 | 0 | 110.6 | ||||
| 91 | S | 43.1 | Very low | 39.4 | Very low | 122 Ų | 122 | 153 Ų | 153 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | -162.7 | 108 | 147.4 | -78.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 92 | D | 42.6 | Very low | 39.6 | Very low | 170 Ų | 170 | 158.2 Ų | 158.2 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | -19.3 | 126.6 | 161.7 | -71.1 | -43.8 | 0 | 0 | 0 | 116.9 | ||||
| 93 | N | 39.6 | Very low | 39.4 | Very low | 162 Ų | 162 | 161.3 Ų | 161.3 | 87% | 0.866 | 83% | 0.83 | S | S | * | * | -149.6 | 136.3 | 128.4 | -150.1 | -0.6 | 0 | 0 | 0 | 112.5 | |||||
| 94 | S | 41 | Very low | 39.6 | Very low | 84 Ų | 84 | 162 Ų | 162 | 59% | 0.587 | 84% | 0.838 | S | S | * | * | trans | -92.9 | 158.7 | -160.8 | 60 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 95 | H | 39 | Very low | 39.8 | Very low | 175 Ų | 175 | 163 Ų | 163 | 81% | 0.81 | 84% | 0.843 | S | S | * | * | trans | 101.7 | 118.7 | 149.3 | -74.8 | 13.8 | 0 | 0 | 0 | 119.8 | ||||
| 96 | S | 37.4 | Very low | 40 | Very low | 111 Ų | 111 | 159.3 Ų | 159.3 | 78% | 0.776 | 84% | 0.838 | S | S | * | * | trans | 88.8 | 68.5 | 140.9 | 68.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 97 | Q | 39.6 | Very low | 40.3 | Very low | 200 Ų | 200 | 158.7 Ų | 158.7 | 94% | 0.935 | 84% | 0.839 | S | S | * | * | trans | -128.6 | 79.8 | 151.2 | -81.8 | -90.8 | -19.9 | 0 | 0 | 108.3 | ||||
| 98 | S | 33.9 | Very low | 40.2 | Very low | 106 Ų | 106 | 163.8 Ų | 163.8 | 74% | 0.741 | 84% | 0.844 | S | S | * | * | trans | -153.4 | 141.5 | 161.4 | 75.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 99 | S | 37.3 | Very low | 40.3 | Very low | 112 Ų | 112 | 161 Ų | 161 | 78% | 0.783 | 84% | 0.843 | S | S | * | * | trans | 88.7 | 85.3 | -175.3 | -34 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 100 | L | 39.8 | Very low | 40.3 | Very low | 184 Ų | 184 | 159.2 Ų | 159.2 | 96% | 0.963 | 84% | 0.844 | S | S | * | * | trans | -170.7 | 55.2 | 139.9 | -94.3 | 160.1 | 0 | 0 | 0 | 109 | ||||
| 101 | K | 42.6 | Very low | 40.3 | Very low | 203 Ų | 203 | 157.9 Ų | 157.9 | 88% | 0.883 | 85% | 0.846 | S | S | * | * | trans | -119.1 | 109.9 | 155.6 | -78.2 | -175.6 | 177.9 | 179.2 | 0 | 105.8 | ||||
| 102 | K | 43.2 | Very low | 40.3 | Very low | 211 Ų | 211 | 157.7 Ų | 157.7 | 92% | 0.917 | 85% | 0.845 | S | S | * | * | trans | 135.1 | 81.1 | 168.9 | -77.7 | 171 | -172.5 | -175 | 0 | 111 | ||||
| 103 | R | 36.9 | Very low | 40.3 | Very low | 241 Ų | 241 | 155 Ų | 155 | 91% | 0.909 | 84% | 0.839 | S | S | * | * | trans | -164.9 | 70 | 140.8 | -136.1 | 155.4 | 70.1 | 178.1 | 2.3 | 111.7 | ||||
| 104 | L | 43.1 | Very low | 41.2 | Very low | 169 Ų | 169 | 153.2 Ų | 153.2 | 89% | 0.885 | 84% | 0.836 | S | S | * | * | trans | -90.9 | 142.3 | 148.6 | -86.3 | 146.7 | 0 | 0 | 0 | 106.4 | ||||
| 105 | Q | 41.9 | Very low | 41.3 | Very low | 182 Ų | 182 | 156.7 Ų | 156.7 | 85% | 0.85 | 85% | 0.848 | S | S | * | * | trans | 103.7 | 133.1 | 177.7 | -57.8 | 173.6 | 8 | 0 | 0 | 115.3 | ||||
| 106 | S | 39.5 | Very low | 41.8 | Very low | 111 Ų | 111 | 156.4 Ų | 156.4 | 78% | 0.776 | 85% | 0.853 | S | S | * | * | trans | 82.5 | 80.5 | 178.8 | 89.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 107 | I | 43.1 | Very low | 42.1 | Very low | 175 Ų | 175 | 157.7 Ų | 157.7 | 90% | 0.897 | 85% | 0.851 | S | S | * | * | -151.1 | 96.9 | 115.6 | -35.1 | 176.6 | 0 | 0 | 0 | 108 | |||||
| 108 | R | 40.5 | Very low | 42.5 | Very low | 234 Ų | 234 | 151.8 Ų | 151.8 | 88% | 0.883 | 84% | 0.844 | S | S | * | * | trans | -93.8 | 150.5 | 158.4 | -86.9 | 179.1 | 164.7 | -164.8 | -4.5 | 106.6 | ||||
| 109 | S | 40.4 | Very low | 43.1 | Very low | 115 Ų | 115 | 151.5 Ų | 151.5 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | trans | 98.2 | 92.4 | 160.9 | -28.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 110 | S | 41.8 | Very low | 43.7 | Very low | 126 Ų | 126 | 158.2 Ų | 158.2 | 88% | 0.881 | 85% | 0.85 | S | S | * | * | trans | -174 | 86.5 | 131.8 | 55.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 111 | S | 40 | Very low | 44.1 | Very low | 122 Ų | 122 | 158.7 Ų | 158.7 | 85% | 0.853 | 85% | 0.848 | S | S | * | * | trans | -91.6 | 130 | 164.5 | 52.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 112 | S | 43.8 | Very low | 44.3 | Very low | 119 Ų | 119 | 156.4 Ų | 156.4 | 83% | 0.832 | 85% | 0.845 | S | S | * | * | trans | -140.8 | 99.8 | 166.2 | 58.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 113 | S | 42.2 | Very low | 44.4 | Very low | 113 Ų | 113 | 153.4 Ų | 153.4 | 79% | 0.79 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 145.6 | 162.8 | -60.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 114 | P | 57.4 | Low | 44.8 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 137.5 | 159.6 | 27 | -12.7 | 0 | 0 | 0 | 111.7 | ||
| 115 | N | 43.6 | Very low | 44.8 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 84% | 0.84 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -60 | 149.2 | -179.4 | -52.2 | -54.4 | 0 | 0 | 0 | 113.7 | ||
| 116 | N | 49.5 | Very low | 44.7 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 90% | 0.904 | 83% | 0.828 | S | S | * | * | trans | -142.4 | 126.5 | 135.9 | -154.5 | 16 | 0 | 0 | 0 | 110.7 | ||||
| 117 | D | 43.9 | Very low | 45.2 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 74% | 0.738 | 83% | 0.833 | S | S | * | * | trans | -95.9 | 145.4 | -172.7 | 166.2 | 24.9 | 0 | 0 | 0 | 109.2 | ||||
| 118 | G | 49 | Very low | 45.2 | Very low | 77 Ų | 77 | 140 Ų | 140 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | -178.3 | 62.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 119 | S | 45.3 | Very low | 45.3 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 70% | 0.699 | 82% | 0.823 | S | S | * | * | trans | -64.5 | 131.3 | 173.1 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 120 | R | 51.2 | Low | 45.4 | Very low | 252 Ų | 252 | 137.9 Ų | 137.9 | 95% | 0.951 | 82% | 0.824 | S | S | * | * | trans | -145.5 | 128.9 | 148.3 | -80.3 | -166 | 169.9 | 171.8 | -4.3 | 111 | ||||
| 121 | Q | 46.7 | Very low | 45.3 | Very low | 194 Ų | 194 | 135 Ų | 135 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | trans | -96.4 | 143 | 175.4 | -65.9 | 168.5 | -29.6 | 0 | 0 | 109.5 | ||||
| 122 | D | 47 | Very low | 45.4 | Very low | 155 Ų | 155 | 134.3 Ų | 134.3 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | -178.8 | 110.7 | 138.7 | -128.8 | 4.7 | 0 | 0 | 0 | 108.3 | ||||
| 123 | D | 45.6 | Very low | 45.4 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | 78.8 | 99.3 | 101.5 | -166.4 | 24.3 | 0 | 0 | 0 | 113 | |||||
| 124 | G | 45.6 | Very low | 45.7 | Very low | 68 Ų | 68 | 139.4 Ų | 139.4 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | 99.8 | 131.1 | 99 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 125 | S | 43.3 | Very low | 45.1 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | cis | -167.5 | 142.5 | 25.4 | 48 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 126 | E | 39.6 | Very low | 45.2 | Very low | 193 Ų | 193 | 138.9 Ų | 138.9 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -76.8 | 141 | 165.4 | -69.9 | 172 | 101.7 | 0 | 0 | 111.4 | ||||
| 127 | T | 48.9 | Very low | 45.2 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | 175.2 | 136.9 | 152.5 | 39.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 128 | G | 43 | Very low | 45.3 | Very low | 75 Ų | 75 | 137.8 Ų | 137.8 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | cis | 170.4 | 129.5 | 6.2 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 129 | D | 43 | Very low | 45.1 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | -55.7 | 140.4 | 167.2 | 177.1 | 27.2 | 0 | 0 | 0 | 110.9 | ||||
| 130 | N | 42.7 | Very low | 45.1 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | 179.6 | 105.6 | 150.8 | -90.1 | -33.4 | 0 | 0 | 0 | 111.4 | ||||
| 131 | G | 39.5 | Very low | 44.7 | Very low | 66 Ų | 66 | 134.8 Ų | 134.8 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | trans | -88.2 | 140.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 132 | S | 42.9 | Very low | 44.7 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 161.4 | 115.4 | 150.1 | 44 | 0 | 0 | 0 | 0 | 108 | ||||
| 133 | Q | 43.7 | Very low | 44.8 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | 83.2 | 114 | 104 | -168 | 168.4 | 38.7 | 0 | 0 | 111.8 | |||||
| 134 | L | 48.8 | Very low | 44.9 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -175.3 | 115 | 137.6 | -95.6 | 157.9 | 0 | 0 | 0 | 110 | ||||
| 135 | D | 44 | Very low | 44.9 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | trans | -71.7 | 164.8 | 172.6 | -61.7 | -66.8 | 0 | 0 | 0 | 112.9 | ||||
| 136 | D | 46.9 | Very low | 44.9 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | 63 | 118.5 | 147 | -67.7 | -33.2 | 0 | 0 | 0 | 119.6 | ||||
| 137 | M | 48.1 | Very low | 45.3 | Very low | 190 Ų | 190 | 140.2 Ų | 140.2 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | -176.7 | 120.6 | 112.1 | -85.6 | -99.2 | 165.2 | 0 | 0 | 110.2 | |||||
| 138 | A | 46.8 | Very low | 44.9 | Very low | 93 Ų | 93 | 138.9 Ų | 138.9 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -71.2 | 162.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 139 | N | 45.1 | Very low | 44.7 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | 116.5 | 120 | 125.5 | -150 | 28.2 | 0 | 0 | 0 | 117.5 | |||||
| 140 | S | 44 | Very low | 44.8 | Very low | 84 Ų | 84 | 139.8 Ų | 139.8 | 59% | 0.587 | 79% | 0.788 | S | S | * | * | trans | 88.3 | 119.1 | 132.9 | -167.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 141 | N | 43.3 | Very low | 44.8 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 68% | 0.684 | 79% | 0.787 | S | S | * | * | trans | 101.4 | 104.7 | 134.9 | -83 | 23.3 | 0 | 0 | 0 | 120.1 | ||||
| 142 | D | 47.8 | Very low | 45.2 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | 51.9 | 108.6 | 111.6 | -58.9 | -18.1 | 0 | 0 | 0 | 117.8 | |||||
| 143 | N | 47.6 | Very low | 45.5 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | -158.3 | 136.2 | 121.4 | -155.1 | 12.9 | 0 | 0 | 0 | 112.6 | |||||
| 144 | E | 48.3 | Very low | 45.9 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -71.4 | 158.9 | -178.2 | -55.5 | -168.4 | 131.6 | 0 | 0 | 114 | ||||
| 145 | G | 46 | Very low | 45.8 | Very low | 68 Ų | 68 | 144.4 Ų | 144.4 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | 156.7 | 116.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 146 | H | 43.6 | Very low | 46 | Very low | 190 Ų | 190 | 146 Ų | 146 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | trans | 76.8 | 93.9 | 168.7 | -68.3 | -64.3 | 0 | 0 | 0 | 116.8 | ||||
| 147 | R | 47 | Very low | 46 | Very low | 234 Ų | 234 | 142 Ų | 142 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | 57.2 | 110.2 | 59.9 | -64.2 | -167.2 | 173.7 | -146.3 | -1.2 | 115.4 | |||||
| 148 | S | 41 | Very low | 46 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | 68 | 98.9 | 149.9 | 62.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 149 | N | 38.7 | Very low | 46.4 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | -149.8 | 106.7 | 117.8 | -139 | 30.2 | 0 | 0 | 0 | 108.8 | |||||
| 150 | A | 45.2 | Very low | 47.3 | Very low | 83 Ų | 83 | 142.1 Ų | 142.1 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | trans | -84.1 | 152.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 151 | E | 43.3 | Very low | 48.2 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 93.1 | 70.7 | -175 | -52.7 | 175.9 | -168.2 | 0 | 0 | 113.6 | ||
| 152 | D | 47.2 | Very low | 49.1 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 171.4 | 82.2 | 143.9 | -93.1 | -21.4 | 0 | 0 | 0 | 107.8 | ||||
| 153 | V | 48.5 | Very low | 50.2 | Low | 140 Ų | 140 | 145.2 Ų | 145.2 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -123.4 | 90.3 | 154.2 | -176.5 | 0 | 0 | 0 | 0 | 104.4 | D155 | V153-D155 PolarHBondContact O-N 3.38Š| ||
| 154 | E | 52.5 | Low | 51.4 | Low | 165 Ų | 165 | 143.7 Ų | 143.7 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | trans | -45.8 | 132.7 | 170.5 | -65.8 | 175.8 | 145.7 | 0 | 0 | 109.4 | D156 | E154-D156 PolarHBondContact O-N 3.35Š| ||
| 155 | D | 46.7 | Very low | 52.3 | Low | 135 Ų | 135 | 144.4 Ų | 144.4 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -10 | 95.6 | 157.1 | -166.4 | 45.9 | 0 | 0 | 0 | 113.3 | V153 S157 | V153-D155 PolarHBondContact O-N 3.38Å; D155-S157 PolarHBondContact O-N 3.44Å; D155-S157 PolarHBondContact O-OG 2.8Å; D155-S157 WeakPolarHBondContact OD2-CB 3.23Å; D155-S157 PolarHBondContact OD2-OG 3.39Å | ||
| 156 | D | 47.8 | Very low | 53.5 | Low | 157 Ų | 157 | 148 Ų | 148 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -66.3 | 65.5 | 156.8 | -109.9 | -27.4 | 0 | 0 | 0 | 106.7 | E154 A158 | E154-D156 PolarHBondContact O-N 3.35Å; D156-A158 PolarHBondContact O-N 2.91Å | ||
| 157 | S | 47.7 | Very low | 54.5 | Low | 63 Ų | 63 | 144.6 Ų | 144.6 | 44% | 0.441 | 78% | 0.775 | S | S | . | * | trans | -65.1 | 91.9 | 160.2 | 15.3 | 0 | 0 | 0 | 0 | 104.9 | D155 H159 | D155-S157 PolarHBondContact O-N 3.44Å; D155-S157 PolarHBondContact O-OG 2.8Å; D155-S157 WeakPolarHBondContact OD2-CB 3.23Å; D155-S157 PolarHBondContact OD2-OG 3.39Å; S157-H159 PolarHBondContact O-N 2.8Å; S157-H159 PolarHBondContact O-ND1 3.36Å | ||
| 158 | A | 48.7 | Very low | 55.3 | Low | 90 Ų | 90 | 136.2 Ų | 136.2 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | trans | -39.5 | 104.3 | 174 | 0 | 0 | 0 | 0 | 0 | 109.1 | D156 E160 | D156-A158 PolarHBondContact O-N 2.91Å; A158-E160 VanDerWaalsContact C-N 3.29Å; A158-E160 PolarHBondContact O-N 3.47Å | ||
| 159 | H | 55.2 | Low | 56.4 | Low | 178 Ų | 178 | 138.5 Ų | 138.5 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | -64.7 | 98.1 | 170.3 | -69.6 | 54 | 0 | 0 | 0 | 105.3 | S157 | S157-H159 PolarHBondContact O-N 2.8Å; S157-H159 PolarHBondContact O-ND1 3.36Å | ||
| 160 | E | 62.4 | Low | 57.6 | Low | 171 Ų | 171 | 134.9 Ų | 134.9 | 80% | 0.799 | 73% | 0.73 | S | S | * | * | trans | -55.3 | 128.9 | 166.3 | -75.2 | -169.4 | 155.8 | 0 | 0 | 107 | A158 D162 | A158-E160 VanDerWaalsContact C-N 3.29Å; A158-E160 PolarHBondContact O-N 3.47Å; E160-D162 PolarHBondContact O-N 2.72Å | ||
| 161 | P | 63 | Low | 58.5 | Low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | trans | -58.9 | 126.1 | -176.9 | 24.3 | -33.1 | 0 | 0 | 0 | 109.2 | E163 | P161-E163 PolarHBondContact O-N 3.5Š| ||
| 162 | D | 62.2 | Low | 59.5 | Low | 160 Ų | 160 | 131.3 Ų | 131.3 | 86% | 0.856 | 71% | 0.708 | S | S | * | * | trans | -52.1 | 107 | 178.9 | -70.6 | -42.9 | 0 | 0 | 0 | 110.3 | E160 T164 | E160-D162 PolarHBondContact O-N 2.72Å; D162-T164 PolarHBondContact O-N 3.38Å | ||
| 163 | E | 71.5 | Confident | 60.4 | Low | 143 Ų | 143 | 127.4 Ų | 127.4 | 67% | 0.668 | 69% | 0.687 | S | S | * | * | trans | -60.7 | 112.1 | 177.2 | -64 | 179.2 | 154.3 | 0 | 0 | 109.6 | P161 R165 | P161-E163 PolarHBondContact O-N 3.5Å; E163-R165 PolarHBondContact O-N 2.71Å; E163-R165 IonicContact OE2-CZ 3.71Å; E163-R165 IonicContact OE2-NE 3.52Å; E163-R165 IonicContact OE2-NH2 2.98Å; E163-R165 PolarHBondContact OE2-NH2 2.86Å | ||
| 164 | T | 72.4 | Confident | 61.1 | Low | 132 Ų | 132 | 130.9 Ų | 130.9 | 81% | 0.81 | 69% | 0.685 | S | S | * | * | trans | -68.1 | 91.3 | 173.8 | 54 | 0 | 0 | 0 | 0 | 110.1 | D162 I166 | D162-T164 PolarHBondContact O-N 3.38Å; T164-I166 PolarHBondContact O-N 3.49Å | ||
| 165 | R | 68.1 | Low | 61.7 | Low | 205 Ų | 205 | 125.2 Ų | 125.2 | 77% | 0.774 | 67% | 0.666 | S | S | * | * | trans | -79.6 | 108.8 | 175.7 | -66.7 | 176 | -177.4 | 166.2 | 4.2 | 109.7 | E163 | E163-R165 PolarHBondContact O-N 2.71Å; E163-R165 IonicContact OE2-CZ 3.71Å; E163-R165 IonicContact OE2-NE 3.52Å; E163-R165 IonicContact OE2-NH2 2.98Å; E163-R165 PolarHBondContact OE2-NH2 2.86Å | ||
| 166 | I | 70.8 | Confident | 62.7 | Low | 142 Ų | 142 | 124.8 Ų | 124.8 | 73% | 0.728 | 66% | 0.664 | S | S | * | * | trans | -91 | 112 | 170.7 | -51.5 | 174.8 | 0 | 0 | 0 | 107.5 | T164 V168 | T164-I166 PolarHBondContact O-N 3.49Å; I166-V168 HydrophobicContact CB-CG2 4.44Å; I166-V168 HydrophobicContact CG2-CG2 3.6Å; I166-V168 PolarHBondContact O-N 2.83Å | ||
| 167 | S | 64 | Low | 63.7 | Low | 120 Ų | 120 | 119.3 Ų | 119.3 | 84% | 0.839 | 63% | 0.634 | S | S | * | * | trans | -73.7 | 105.2 | 171.6 | -57.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 168 | V | 63.9 | Low | 64.8 | Low | 58 Ų | 58 | 117.7 Ų | 117.7 | 35% | 0.352 | 63% | 0.628 | S | S | . | * | trans | -121.8 | 122.5 | 172.1 | -173.9 | 0 | 0 | 0 | 0 | 108.2 | I166 F170 | I166-V168 HydrophobicContact CB-CG2 4.44Å; I166-V168 HydrophobicContact CG2-CG2 3.6Å; I166-V168 PolarHBondContact O-N 2.83Å; V168-F170 HydrophobicContact CB-CD2 4.24Å; V168-F170 HydrophobicContact CB-CE1 4.39Å; V168-F170 HydrophobicContact CB-CE2 3.51Å; V168-F170 HydrophobicContact CB-CZ 3.57Å; V168-F170 HydrophobicContact CG1-CD1 4.21Å; V168-F170 HydrophobicContact CG1-CD2 4.21Å; V168-F170 HydrophobicContact CG1-CE1 3.6Å; V168-F170 HydrophobicContact CG1-CE2 3.64Å; V168-F170 HydrophobicContact CG1-CG 4.47Å; V168-F170 HydrophobicContact CG1-CZ 3.27Å; V168-F170 HydrophobicContact CG2-CE2 4.48Å; V168-F170 HydrophobicContact CG2-CZ 4.31Å; V168-F170 WeakPolarHBondContact O-CD2 3.47Å; V168-F170 PolarHBondContact O-N 3.43Å | ||
| 169 | D | 64.4 | Low | 66 | Low | 164 Ų | 164 | 123.5 Ų | 123.5 | 88% | 0.877 | 63% | 0.63 | S | S | * | * | trans | -79.7 | 106.5 | 175.5 | -67.1 | -27.4 | 0 | 0 | 0 | 108.9 | ||||
| 170 | F | 63.3 | Low | 67.3 | Low | 84 Ų | 84 | 119.9 Ų | 119.9 | 37% | 0.368 | 61% | 0.614 | S | S | . | * | trans | -97.5 | 133.2 | 173.3 | -62.3 | -75.7 | 0 | 0 | 0 | 110 | V168 L172 E283 | V168-F170 HydrophobicContact CB-CD2 4.24Å; V168-F170 HydrophobicContact CB-CE1 4.39Å; V168-F170 HydrophobicContact CB-CE2 3.51Å; V168-F170 HydrophobicContact CB-CZ 3.57Å; V168-F170 HydrophobicContact CG1-CD1 4.21Å; V168-F170 HydrophobicContact CG1-CD2 4.21Å; V168-F170 HydrophobicContact CG1-CE1 3.6Å; V168-F170 HydrophobicContact CG1-CE2 3.64Å; V168-F170 HydrophobicContact CG1-CG 4.47Å; V168-F170 HydrophobicContact CG1-CZ 3.27Å; V168-F170 HydrophobicContact CG2-CE2 4.48Å; V168-F170 HydrophobicContact CG2-CZ 4.31Å; V168-F170 WeakPolarHBondContact O-CD2 3.47Å; V168-F170 PolarHBondContact O-N 3.43Å; F170-L172 PolarHBondContact O-N 3.23Å; F170-E283 WeakPolarHBondContact CE1-O 3.37Å | ||
| 171 | P | 66 | Low | 68.4 | Low | 75 Ų | 75 | 113.2 Ų | 113.2 | 49% | 0.487 | 59% | 0.585 | S | S | . | * | trans | -61.9 | 122.3 | 170.6 | 26.7 | -31.1 | 0 | 0 | 0 | 108.5 | I173 E283 | P171-I173 PolarHBondContact O-N 2.9Å; P171-E283 WeakPolarHBondContact CD-OE2 3.35Å; P171-E283 WeakPolarHBondContact CG-OE1 3.06Å; P171-E283 WeakPolarHBondContact CG-OE2 3.31Å | ||
| 172 | L | 63.5 | Low | 69.6 | Low | 110 Ų | 110 | 109.7 Ų | 109.7 | 58% | 0.576 | 56% | 0.558 | S | S | * | * | trans | -68.6 | 94.7 | 179.6 | -173.8 | 76.3 | 0 | 0 | 0 | 109.3 | F170 R174 | F170-L172 PolarHBondContact O-N 3.23Å; L172-R174 HydrophobicContact CD2-CG 3.91Å; L172-R174 HydrophobicContact CG-CG 4.04Å; L172-R174 PolarHBondContact O-N 3.23Å | ||
| 173 | I | 66 | Low | 70.8 | Confident | 67 Ų | 67 | 104.8 Ų | 104.8 | 34% | 0.344 | 53% | 0.532 | S | S | . | . | trans | -72.5 | 103.9 | 172.7 | -60.1 | 169 | 0 | 0 | 0 | 106.4 | P171 A175 I281 Q288 Q290 | P171-I173 PolarHBondContact O-N 2.9Å; I173-A175 PolarHBondContact O-N 2.93Å; I173-I281 HydrophobicContact CB-CD1 4.24Å; I173-I281 HydrophobicContact CD1-CG2 4.07Å; I173-I281 HydrophobicContact CG2-CD1 3.81Å; I173-Q288 PolarHBondContact O-NE2 2.94Å; I173-Q288 VanDerWaalsContact O-NE2 3.12Å; I173-Q290 PolarHBondContact O-NE2 3.07Å; I173-Q290 PolarHBondContact O-OE1 3.22Å | ||
| 174 | R | 62.5 | Low | 71.7 | Confident | 212 Ų | 212 | 100.6 Ų | 100.6 | 80% | 0.8 | 52% | 0.515 | S | S | * | . | trans | -91.5 | 89.8 | 167.5 | -66.6 | -173 | 178.5 | -176.1 | 0.6 | 107.4 | L172 D176 | L172-R174 HydrophobicContact CD2-CG 3.91Å; L172-R174 HydrophobicContact CG-CG 4.04Å; L172-R174 PolarHBondContact O-N 3.23Å; R174-D176 PolarHBondContact O-N 3.45Å | ||
| 175 | A | 65.3 | Low | 72.4 | Confident | 46 Ų | 46 | 101.5 Ų | 101.5 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | trans | -73.3 | 121 | 163 | 0 | 0 | 0 | 0 | 0 | 106.7 | I173 L177 | I173-A175 PolarHBondContact O-N 2.93Å; A175-L177 HydrophobicContact CB-CD2 4.27Å; A175-L177 HydrophobicContact CB-CG 4.36Å; A175-L177 PolarHBondContact O-N 2.75Å | ||
| 176 | D | 67.4 | Low | 73.4 | Confident | 126 Ų | 126 | 94.9 Ų | 94.9 | 67% | 0.674 | 49% | 0.487 | S | S | * | . | trans | -68.5 | 102 | 169.4 | -170.3 | -4.3 | 0 | 0 | 0 | 107.5 | V2 R174 G178 | V2-D176 WeakPolarHBondContact CG2-O 3.2Å; R174-D176 PolarHBondContact O-N 3.45Å; D176-G178 PolarHBondContact OD1-N 2.94Å; D176-G178 VanDerWaalsContact OD1-N 3.08Å | ||
| 177 | L | 68.9 | Low | 74.2 | Confident | 43 Ų | 43 | 89.4 Ų | 89.4 | 23% | 0.225 | 46% | 0.461 | C | S | . | . | trans | -86.5 | 1.6 | -178.2 | -65.8 | 169.8 | 0 | 0 | 0 | 111.9 | A175 V181 L279 Q290 | A175-L177 HydrophobicContact CB-CD2 4.27Å; A175-L177 HydrophobicContact CB-CG 4.36Å; A175-L177 PolarHBondContact O-N 2.75Å; L177-V181 HydrophobicContact CB-CG2 3.62Å; L177-V181 HydrophobicContact CD1-CG2 4.33Å; L177-L279 HydrophobicContact CD1-CD2 3.87Å; L177-L279 HydrophobicContact CD2-CD2 4Å; L177-Q290 HydrophobicContact CD1-CB 3.84Å | ||
| 178 | G | 70.5 | Confident | 75.1 | Confident | 29 Ų | 29 | 92 Ų | 92 | 30% | 0.299 | 47% | 0.465 | S | S | . | . | trans | 70 | -172.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D176 | D176-G178 PolarHBondContact OD1-N 2.94Å; D176-G178 VanDerWaalsContact OD1-N 3.08Å | ||
| 179 | R | 75.7 | Confident | 76.1 | Confident | 211 Ų | 211 | 90.8 Ų | 90.8 | 80% | 0.796 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -71.8 | -31.7 | -175.2 | -61 | -179.4 | -175.6 | -176.9 | 3.5 | 113.4 | ||
| 180 | E | 82.2 | Confident | 77.2 | Confident | 102 Ų | 102 | 83.3 Ų | 83.3 | 48% | 0.477 | 42% | 0.415 | S | S | . | . | trans | -133.8 | 121.4 | -176.3 | -62.1 | -173 | -175.2 | 0 | 0 | 111.4 | H182 K269 | E180-H182 VanDerWaalsContact CB-CE1 3.49Å; E180-H182 WeakPolarHBondContact CB-CE1 3.16Å; E180-H182 PolarHBondContact O-ND1 3.16Å; E180-H182 IonicContact OE2-CE1 3.65Å; E180-H182 PolarHBondContact OE2-CE1 2.8Å; E180-H182 VanDerWaalsContact OE2-CE1 3.25Å; E180-H182 IonicContact OE2-NE2 3.54Å; E180-K269 IonicContact OE2-NZ 3.62Å | ||
| 181 | V | 85.1 | Confident | 78.3 | Confident | 32 Ų | 32 | 81.6 Ų | 81.6 | 19% | 0.194 | 41% | 0.414 | C | S | . | . | trans | -106.1 | 130.6 | 176.3 | -163.1 | 0 | 0 | 0 | 0 | 109.4 | L177 L293 | L177-V181 HydrophobicContact CB-CG2 3.62Å; L177-V181 HydrophobicContact CD1-CG2 4.33Å; V181-L293 HydrophobicContact CB-CD2 3.97Å; V181-L293 HydrophobicContact CG1-CD2 3.37Å | ||
| 182 | H | 87.3 | Confident | 79.5 | Confident | 42 Ų | 42 | 81.1 Ų | 81.1 | 19% | 0.194 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 138.6 | -175.3 | -63.6 | 80.1 | 0 | 0 | 0 | 110.2 | E180 K269 T295 L297 | E180-H182 VanDerWaalsContact CB-CE1 3.49Å; E180-H182 WeakPolarHBondContact CB-CE1 3.16Å; E180-H182 PolarHBondContact O-ND1 3.16Å; E180-H182 IonicContact OE2-CE1 3.65Å; E180-H182 PolarHBondContact OE2-CE1 2.8Å; E180-H182 VanDerWaalsContact OE2-CE1 3.25Å; E180-H182 IonicContact OE2-NE2 3.54Å; H182-K269 PolarHBondContact NE2-NZ 2.86Å; H182-T295 PolarHBondContact CD2-OG1 3.45Å; H182-T295 PolarHBondContact NE2-OG1 2.83Å; H182-L297 HydrophobicContact CB-CD1 3.63Å; H182-L297 HydrophobicContact CB-CG 3.81Å |
| 183 | L | 88.4 | Confident | 80.7 | Confident | 58 Ų | 58 | 78.6 Ų | 78.6 | 30% | 0.304 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 122.4 | 172.1 | 178.5 | 62.8 | 0 | 0 | 0 | 109.7 | L293 T295 K296 L297 | L183-L293 HydrophobicContact CB-CB 4.46Å; L183-L293 HydrophobicContact CB-CD1 4.19Å; L183-L293 HydrophobicContact CD1-CD1 4.09Å; L183-T295 PolarHBondContact N-O 3.3Å; L183-K296 HydrophobicContact CB-CB 4.32Å; L183-K296 HydrophobicContact CD2-CD 4.5Å; L183-K296 CarbonylContact O-C 3.47Å; L183-K296 WeakPolarHBondContact O-CA 3.32Å; L183-K296 WeakPolarHBondContact O-CG 3.42Å; L183-L297 PolarHBondContact O-N 2.77Å |
| 184 | V | 90.3 | Very high | 81.7 | Confident | 54 Ų | 54 | 81.3 Ų | 81.3 | 33% | 0.327 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 124.5 | 175.8 | 165.1 | 0 | 0 | 0 | 0 | 109.1 | M186 L297 F299 | V184-M186 HydrophobicContact CG1-CG 4.28Å; V184-M186 HydrophobicContact CG1-SD 3.35Å; V184-M186 WeakPolarHBondContact CG1-SD 3.38Å; V184-L297 HydrophobicContact CG2-CB 3.97Å; V184-L297 HydrophobicContact CG2-CD1 4.18Å; V184-F299 HydrophobicContact CB-CE2 4.37Å; V184-F299 HydrophobicContact CG1-CD2 4.35Å; V184-F299 HydrophobicContact CG1-CE2 3.51Å; V184-F299 HydrophobicContact CG1-CZ 4.36Å; V184-F299 HydrophobicContact CG2-CE2 4.01Å; V184-F299 HydrophobicContact CG2-CZ 4.25Å |
| 185 | K | 87.8 | Confident | 83 | Confident | 152 Ų | 152 | 80.8 Ų | 80.8 | 66% | 0.661 | 41% | 0.412 | S | S | * | . | trans | -97.3 | 109 | 163.6 | -175.8 | 174.8 | -178.5 | 175.5 | 0 | 108.4 | P187 | K185-P187 VanDerWaalsContact O-CD 3.25Å; K185-P187 WeakPolarHBondContact O-CD 3.32Å | ||
| 186 | M | 89.3 | Confident | 84.1 | Confident | 65 Ų | 65 | 81.7 Ų | 81.7 | 32% | 0.32 | 41% | 0.414 | S | S | . | . | trans | -63.3 | 120 | 179.8 | -61.8 | -54.3 | -58.5 | 0 | 0 | 110.6 | V184 L190 V192 I228 | V184-M186 HydrophobicContact CG1-CG 4.28Å; V184-M186 HydrophobicContact CG1-SD 3.35Å; V184-M186 WeakPolarHBondContact CG1-SD 3.38Å; M186-L190 HydrophobicContact CE-CB 3.9Å; M186-L190 HydrophobicContact CE-CD2 3.43Å; M186-L190 VanDerWaalsContact CE-CD2 3.43Å; M186-L190 HydrophobicContact CE-CG 3.44Å; M186-L190 VanDerWaalsContact CE-CG 3.44Å; M186-L190 WeakPolarHBondContact CE-O 3.19Å; M186-V192 HydrophobicContact CE-CG2 3.46Å; M186-V192 VanDerWaalsContact CE-CG2 3.46Å; M186-V192 HydrophobicContact SD-CG2 3.73Å; M186-I228 HydrophobicContact CE-CD1 4.42Å | ||
| 187 | P | 87.4 | Confident | 85.1 | Confident | 28 Ų | 28 | 78.2 Ų | 78.2 | 18% | 0.182 | 39% | 0.393 | C | S | . | . | trans | -68.7 | 157.2 | 171 | -19.4 | 33.8 | 0 | 0 | 0 | 111.7 | K185 F189 L190 F299 | K185-P187 VanDerWaalsContact O-CD 3.25Å; K185-P187 WeakPolarHBondContact O-CD 3.32Å; P187-F189 HydrophobicContact CB-CD1 3.6Å; P187-F189 HydrophobicContact CB-CD2 4.43Å; P187-F189 HydrophobicContact CB-CE1 3.24Å; P187-F189 HydrophobicContact CB-CE2 4.12Å; P187-F189 HydrophobicContact CB-CG 4.19Å; P187-F189 HydrophobicContact CB-CZ 3.53Å; P187-F189 HydrophobicContact CG-CE1 3.87Å; P187-F189 HydrophobicContact CG-CE2 4.22Å; P187-F189 HydrophobicContact CG-CZ 3.64Å; P187-F189 PolarHBondContact O-N 2.91Å; P187-L190 PolarHBondContact O-N 3.37Å; P187-F299 HydrophobicContact CG-CB 4.21Å | ||
| 188 | N | 82.8 | Confident | 85.8 | Confident | 175 Ų | 175 | 79.1 Ų | 79.1 | 94% | 0.936 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -18.9 | -179.5 | -66.3 | -2.2 | 0 | 0 | 0 | 114.6 | ||
| 189 | F | 84.4 | Confident | 86.5 | Confident | 32 Ų | 32 | 82 Ų | 82 | 14% | 0.14 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -1.4 | 178.8 | 61.9 | -101.4 | 0 | 0 | 0 | 113.7 | P187 L222 N226 F265 I312 | P187-F189 HydrophobicContact CB-CD1 3.6Å; P187-F189 HydrophobicContact CB-CD2 4.43Å; P187-F189 HydrophobicContact CB-CE1 3.24Å; P187-F189 HydrophobicContact CB-CE2 4.12Å; P187-F189 HydrophobicContact CB-CG 4.19Å; P187-F189 HydrophobicContact CB-CZ 3.53Å; P187-F189 HydrophobicContact CG-CE1 3.87Å; P187-F189 HydrophobicContact CG-CE2 4.22Å; P187-F189 HydrophobicContact CG-CZ 3.64Å; P187-F189 PolarHBondContact O-N 2.91Å; F189-L222 HydrophobicContact CB-CD1 4.5Å; F189-N226 WeakPolarHBondContact O-CB 3.26Å; F189-N226 PolarHBondContact O-ND2 2.91Å; F189-F265 HydrophobicContact CD2-CD1 4.37Å; F189-F265 AromaticContact CD2-CE1 3.74Å; F189-F265 HydrophobicContact CD2-CE1 3.74Å; F189-F265 HydrophobicContact CD2-CZ 4.4Å; F189-F265 AromaticContact CE2-CD1 3.71Å; F189-F265 HydrophobicContact CE2-CD1 3.71Å; F189-F265 AromaticContact CE2-CE1 3.56Å; F189-F265 HydrophobicContact CE2-CE1 3.56Å; F189-F265 HydrophobicContact CE2-CZ 4.47Å; F189-I312 HydrophobicContact CB-CD1 3.85Å; F189-I312 HydrophobicContact CB-CG1 4.35Å; F189-I312 HydrophobicContact CD1-CD1 3.46Å; F189-I312 VanDerWaalsContact CD1-CD1 3.46Å; F189-I312 HydrophobicContact CE1-CD1 4.12Å; F189-I312 HydrophobicContact CG-CD1 3.72Å |
| 190 | L | 87.1 | Confident | 86.7 | Confident | 6 Ų | 6 | 78.6 Ų | 78.6 | 3% | 0.031 | 41% | 0.409 | C | S | . | . | trans | -135.2 | 126.3 | -177.9 | -172 | 75.2 | 0 | 0 | 0 | 109.6 | M186 P187 N226 I228 L258 L260 F265 F299 | M186-L190 HydrophobicContact CE-CB 3.9Å; M186-L190 HydrophobicContact CE-CD2 3.43Å; M186-L190 VanDerWaalsContact CE-CD2 3.43Å; M186-L190 HydrophobicContact CE-CG 3.44Å; M186-L190 VanDerWaalsContact CE-CG 3.44Å; M186-L190 WeakPolarHBondContact CE-O 3.19Å; P187-L190 PolarHBondContact O-N 3.37Å; L190-N226 WeakPolarHBondContact CA-O 3.26Å; L190-N226 HydrophobicContact CD1-CB 4.21Å; L190-I228 HydrophobicContact CD1-CD1 4.3Å; L190-I228 HydrophobicContact CD1-CG1 4.33Å; L190-I228 HydrophobicContact CD2-CD1 4.05Å; L190-I228 HydrophobicContact CG-CD1 4.26Å; L190-L258 HydrophobicContact CD1-CD2 4.39Å; L190-L258 HydrophobicContact CD2-CD2 3.93Å; L190-L260 HydrophobicContact CD1-CD2 4.01Å; L190-F265 HydrophobicContact CD1-CE2 4.14Å; L190-F265 HydrophobicContact CD1-CZ 4.41Å; L190-F299 HydrophobicContact CD2-CD1 4.42Å; L190-F299 HydrophobicContact CD2-CD2 4.24Å; L190-F299 HydrophobicContact CD2-CG 4.14Å | ||
| 191 | S | 86.7 | Confident | 86.5 | Confident | 49 Ų | 49 | 81.9 Ų | 81.9 | 34% | 0.343 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 161.3 | 176.6 | -170.1 | 0 | 0 | 0 | 0 | 111 | N226 T227 I228 | S191-N226 PolarHBondContact N-O 3.23Å; S191-T227 WeakPolarHBondContact CB-OG1 3.25Å; S191-T227 CarbonylContact O-C 3.59Å; S191-T227 WeakPolarHBondContact O-CA 3.21Å; S191-I228 PolarHBondContact O-N 2.74Å |
| 192 | V | 90.4 | Very high | 86.1 | Confident | 65 Ų | 65 | 84.1 Ų | 84.1 | 39% | 0.394 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 125.3 | 174.7 | 176.8 | 0 | 0 | 0 | 0 | 108.6 | M186 I228 | M186-V192 HydrophobicContact CE-CG2 3.46Å; M186-V192 VanDerWaalsContact CE-CG2 3.46Å; M186-V192 HydrophobicContact SD-CG2 3.73Å; V192-I228 WeakPolarHBondContact CA-O 3.22Å; V192-I228 HydrophobicContact CB-CB 4.4Å; V192-I228 HydrophobicContact CG1-CB 4.44Å; V192-I228 HydrophobicContact CG1-CG2 4.42Å; V192-I228 HydrophobicContact CG2-CB 3.9Å; V192-I228 HydrophobicContact CG2-CD1 3.69Å; V192-I228 HydrophobicContact CG2-CG1 4.31Å; V192-I228 HydrophobicContact CG2-CG2 4.44Å |
| 193 | E | 89.5 | Confident | 85.2 | Confident | 57 Ų | 57 | 89.8 Ų | 89.8 | 27% | 0.266 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 124.8 | 169.1 | -78.6 | 171.6 | -151.3 | 0 | 0 | 110.3 | T227 I228 R229 | E193-T227 HydrophobicContact CB-CG2 4.39Å; E193-T227 HydrophobicContact CG-CG2 3.72Å; E193-T227 WeakPolarHBondContact OE1-CG2 3.5Å; E193-I228 PolarHBondContact N-O 3.29Å; E193-R229 HydrophobicContact CB-CG 4.22Å; E193-R229 HydrophobicContact CG-CG 4.28Å; E193-R229 WeakPolarHBondContact OE1-CD 3.47Å; E193-R229 IonicContact OE1-CZ 3.08Å; E193-R229 IonicContact OE1-NE 3.6Å; E193-R229 PolarHBondContact OE1-NE 3.48Å; E193-R229 IonicContact OE1-NH2 3.72Å; E193-R229 VanDerWaalsContact OE2-CD 3.24Å; E193-R229 WeakPolarHBondContact OE2-CD 3.3Å; E193-R229 WeakPolarHBondContact OE2-CG 3.18Å; E193-R229 IonicContact OE2-NE 2.73Å |
| 194 | T | 87.4 | Confident | 84.1 | Confident | 123 Ų | 123 | 90.6 Ų | 90.6 | 76% | 0.755 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -22.9 | 179.6 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | W230 | T194-W230 PolarHBondContact O-NE1 2.78Å |
| 195 | R | 88.6 | Confident | 82.7 | Confident | 202 Ų | 202 | 94.6 Ų | 94.6 | 76% | 0.762 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 149.8 | 178.3 | -66.4 | -175.8 | 178.9 | 173.6 | 1.4 | 110.6 | F197 W230 | R195-F197 PolarHBondContact O-N 3.22Å; R195-W230 PolarHBondContact O-NE1 3.35Å |
| 196 | P | 89.2 | Confident | 81 | Confident | 64 Ų | 64 | 91 Ų | 91 | 42% | 0.416 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 131 | 170.4 | 27.1 | -32.4 | 0 | 0 | 0 | 109.1 | D198 W230 I232 | P196-D198 PolarHBondContact O-N 3.1Å; P196-W230 CarbonylContact C-O 3.58Å; P196-W230 VanDerWaalsContact CA-O 3.3Å; P196-W230 WeakPolarHBondContact CA-O 3.39Å; P196-W230 HydrophobicContact CB-CD2 4.38Å; P196-W230 HydrophobicContact CB-CE3 4.33Å; P196-W230 HydrophobicContact CB-CH2 3.88Å; P196-W230 HydrophobicContact CB-CZ2 3.89Å; P196-W230 HydrophobicContact CB-CZ3 4.1Å; P196-W230 HydrophobicContact CG-CH2 4.25Å; P196-W230 HydrophobicContact CG-CZ2 4.2Å; P196-I232 HydrophobicContact CB-CD1 4.44Å; P196-I232 HydrophobicContact CB-CG1 4.33Å |
| 197 | F | 87.4 | Confident | 79.4 | Confident | 54 Ų | 54 | 93 Ų | 93 | 24% | 0.237 | 47% | 0.474 | C | S | . | . | trans | -67.3 | 114.5 | 177.6 | 177.5 | -98.3 | 0 | 0 | 0 | 109.6 | R195 P199 Y202 R229 W230 R231 | R195-F197 PolarHBondContact O-N 3.22Å; F197-P199 HydrophobicContact CE1-CG 3.98Å; F197-Y202 HydrophobicContact CD2-CD2 4.24Å; F197-Y202 AromaticContact CE2-CD2 3.51Å; F197-Y202 HydrophobicContact CE2-CD2 3.51Å; F197-Y202 HydrophobicContact CE2-CE2 4.14Å; F197-Y202 AromaticContact CE2-CG 3.94Å; F197-Y202 HydrophobicContact CE2-CG 3.94Å; F197-Y202 HydrophobicContact CZ-CD2 4.44Å; F197-Y202 HydrophobicContact CZ-CG 4.49Å; F197-R229 HydrophobicContact CB-CB 4.25Å; F197-W230 WeakPolarHBondContact CB-O 3.44Å; F197-W230 PolarHBondContact N-O 2.79Å; F197-R231 HydrophobicContact CB-CB 4.27Å; F197-R231 WeakPolarHBondContact O-CB 3.02Å | ||
| 198 | D | 84.8 | Confident | 77.8 | Confident | 61 Ų | 61 | 99.4 Ų | 99.4 | 33% | 0.326 | 50% | 0.501 | S | S | . | . | trans | -114.3 | 118.2 | 170.1 | -172.7 | -21.4 | 0 | 0 | 0 | 107.9 | P196 N200 F201 Y202 | P196-D198 PolarHBondContact O-N 3.1Å; D198-N200 PolarHBondContact O-N 3.4Å; D198-N200 WeakPolarHBondContact OD1-CB 3.25Å; D198-N200 PolarHBondContact OD1-N 3.3Å; D198-N200 PolarHBondContact OD1-ND2 3.11Å; D198-N200 VanDerWaalsContact OD1-ND2 3.09Å; D198-F201 HydrophobicContact CB-CB 4.46Å; D198-F201 HydrophobicContact CB-CD2 3.96Å; D198-F201 PolarHBondContact O-N 3.18Å; D198-F201 VanDerWaalsContact O-N 3.08Å; D198-F201 WeakPolarHBondContact OD2-CD2 3.29Å; D198-Y202 PolarHBondContact O-N 2.78Å; D198-Y202 VanDerWaalsContact O-N 3.12Å | ||
| 199 | P | 84.3 | Confident | 76.5 | Confident | 89 Ų | 89 | 97.7 Ų | 97.7 | 58% | 0.578 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -27.6 | 178 | -25.2 | 32.9 | 0 | 0 | 0 | 114 | F197 | F197-P199 HydrophobicContact CE1-CG 3.98Š|
| 200 | N | 80.5 | Confident | 75.1 | Confident | 141 Ų | 141 | 98.5 Ų | 98.5 | 75% | 0.754 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -26.6 | -177.8 | -57.9 | -51.6 | 0 | 0 | 0 | 113.2 | D198 | D198-N200 PolarHBondContact O-N 3.4Å; D198-N200 WeakPolarHBondContact OD1-CB 3.25Å; D198-N200 PolarHBondContact OD1-N 3.3Å; D198-N200 PolarHBondContact OD1-ND2 3.11Å; D198-N200 VanDerWaalsContact OD1-ND2 3.09Å |
| 201 | F | 77.2 | Confident | 73.7 | Confident | 171 Ų | 171 | 99.9 Ų | 99.9 | 75% | 0.75 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -101.6 | 5.8 | 176.7 | -66.9 | -75 | 0 | 0 | 0 | 112 | D198 E203 | D198-F201 HydrophobicContact CB-CB 4.46Å; D198-F201 HydrophobicContact CB-CD2 3.96Å; D198-F201 PolarHBondContact O-N 3.18Å; D198-F201 VanDerWaalsContact O-N 3.08Å; D198-F201 WeakPolarHBondContact OD2-CD2 3.29Å; F201-E203 VanDerWaalsContact C-N 3.28Å; F201-E203 PolarHBondContact O-N 3.33Å |
| 202 | Y | 76.2 | Confident | 72.5 | Confident | 79 Ų | 79 | 103.7 Ų | 103.7 | 31% | 0.31 | 52% | 0.519 | S | S | . | . | trans | -74.8 | 89.4 | 171.6 | -173.1 | -99.3 | 0 | 0 | 0 | 108.5 | F197 D198 D204 | F197-Y202 HydrophobicContact CD2-CD2 4.24Å; F197-Y202 AromaticContact CE2-CD2 3.51Å; F197-Y202 HydrophobicContact CE2-CD2 3.51Å; F197-Y202 HydrophobicContact CE2-CE2 4.14Å; F197-Y202 AromaticContact CE2-CG 3.94Å; F197-Y202 HydrophobicContact CE2-CG 3.94Å; F197-Y202 HydrophobicContact CZ-CD2 4.44Å; F197-Y202 HydrophobicContact CZ-CG 4.49Å; D198-Y202 PolarHBondContact O-N 2.78Å; D198-Y202 VanDerWaalsContact O-N 3.12Å; Y202-D204 HydrophobicContact CE1-CB 4Å; Y202-D204 PolarHBondContact OH-OD1 2.83Å | ||
| 203 | E | 70.2 | Confident | 71.3 | Confident | 160 Ų | 160 | 106.1 Ų | 106.1 | 75% | 0.748 | 53% | 0.53 | S | S | * | . | trans | -78.4 | 115.9 | 159.4 | -66.3 | -178.2 | 177.6 | 0 | 0 | 105.7 | F201 E205 | F201-E203 VanDerWaalsContact C-N 3.28Å; F201-E203 PolarHBondContact O-N 3.33Å; E203-E205 PolarHBondContact O-N 3.5Å | ||
| 204 | D | 64.1 | Low | 70.3 | Confident | 75 Ų | 75 | 111.4 Ų | 111.4 | 40% | 0.401 | 56% | 0.555 | S | S | . | * | trans | -62.6 | 93.5 | 163.9 | -159.4 | 22.1 | 0 | 0 | 0 | 104.1 | Y202 L206 | Y202-D204 HydrophobicContact CE1-CB 4Å; Y202-D204 PolarHBondContact OH-OD1 2.83Å; D204-L206 HydrophobicContact CB-CD1 4.29Å; D204-L206 HydrophobicContact CB-CG 4Å; D204-L206 WeakPolarHBondContact O-CG 3.18Å; D204-L206 PolarHBondContact O-N 3.4Å; D204-L206 WeakPolarHBondContact OD2-CD2 3.49Å; D204-L206 WeakPolarHBondContact OD2-CG 3.1Å | ||
| 205 | E | 60.8 | Low | 69.4 | Low | 139 Ų | 139 | 108.7 Ų | 108.7 | 65% | 0.65 | 53% | 0.533 | S | S | * | . | trans | -63.8 | 72.1 | 176 | -75.9 | -177.9 | 170.9 | 0 | 0 | 107.5 | E203 D207 K223 | E203-E205 PolarHBondContact O-N 3.5Å; E205-D207 VanDerWaalsContact C-N 3.34Å; E205-D207 PolarHBondContact O-N 2.76Å; E205-K223 IonicContact OE2-NZ 2.71Å | ||
| 206 | L | 53.5 | Low | 68.4 | Low | 75 Ų | 75 | 99.4 Ų | 99.4 | 39% | 0.393 | 50% | 0.501 | S | S | . | . | trans | -80.9 | 89 | 169.8 | -65 | 176.1 | 0 | 0 | 0 | 104.4 | D204 E208 I211 L220 | D204-L206 HydrophobicContact CB-CD1 4.29Å; D204-L206 HydrophobicContact CB-CG 4Å; D204-L206 WeakPolarHBondContact O-CG 3.18Å; D204-L206 PolarHBondContact O-N 3.4Å; D204-L206 WeakPolarHBondContact OD2-CD2 3.49Å; D204-L206 WeakPolarHBondContact OD2-CG 3.1Å; L206-E208 PolarHBondContact O-N 2.84Å; L206-I211 HydrophobicContact CB-CD1 3.87Å; L206-I211 HydrophobicContact CD2-CD1 3.66Å; L206-I211 HydrophobicContact CG-CD1 4.23Å; L206-L220 HydrophobicContact CD2-CD1 4.17Å; L206-L220 HydrophobicContact CD2-CD2 3.45Å; L206-L220 VanDerWaalsContact CD2-CD2 3.45Å; L206-L220 HydrophobicContact CD2-CG 4.4Å | ||
| 207 | D | 55.8 | Low | 67.4 | Low | 109 Ų | 109 | 103.2 Ų | 103.2 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | trans | -61.1 | 100.9 | 152.3 | -83.8 | -22.5 | 0 | 0 | 0 | 105.4 | E205 D209 E210 I211 | E205-D207 VanDerWaalsContact C-N 3.34Å; E205-D207 PolarHBondContact O-N 2.76Å; D207-D209 PolarHBondContact O-N 3.28Å; D207-E210 HydrophobicContact CB-CB 3.92Å; D207-E210 WeakPolarHBondContact O-CA 3.3Å; D207-E210 WeakPolarHBondContact O-CB 3.27Å; D207-E210 PolarHBondContact O-N 3.44Å; D207-I211 PolarHBondContact O-N 3.38Å | ||
| 208 | E | 53.2 | Low | 66.3 | Low | 162 Ų | 162 | 103.1 Ų | 103.1 | 76% | 0.757 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -53.2 | -28.7 | 176.4 | -70.1 | -177.2 | 169.6 | 0 | 0 | 110.9 | L206 E210 I211 | L206-E208 PolarHBondContact O-N 2.84Å; E208-E210 VanDerWaalsContact C-N 3.32Å; E208-E210 PolarHBondContact O-N 3.03Å; E208-I211 PolarHBondContact O-N 2.96Å |
| 209 | D | 54.9 | Low | 65.5 | Low | 139 Ų | 139 | 107 Ų | 107 | 74% | 0.743 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.1 | -26.8 | 174.2 | -67.4 | -29 | 0 | 0 | 0 | 113.6 | D207 | D207-D209 PolarHBondContact O-N 3.28Å |
| 210 | E | 56.2 | Low | 64.7 | Low | 48 Ų | 48 | 104.1 Ų | 104.1 | 22% | 0.224 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -84.1 | -18 | 177 | -168.7 | 169.1 | 154.8 | 0 | 0 | 112.2 | D207 E208 G216 R219 | D207-E210 HydrophobicContact CB-CB 3.92Å; D207-E210 WeakPolarHBondContact O-CA 3.3Å; D207-E210 WeakPolarHBondContact O-CB 3.27Å; D207-E210 PolarHBondContact O-N 3.44Å; E208-E210 VanDerWaalsContact C-N 3.32Å; E208-E210 PolarHBondContact O-N 3.03Å; E210-G216 CarbonylContact O-C 3.46Å; E210-G216 VanDerWaalsContact O-C 3.27Å; E210-G216 WeakPolarHBondContact O-CA 3.18Å; E210-R219 IonicContact OE1-CZ 2.82Å; E210-R219 IonicContact OE1-NE 2.76Å; E210-R219 PolarHBondContact OE1-NE 3.32Å; E210-R219 IonicContact OE1-NH2 3.75Å; E210-R219 PolarHBondContact OE1-NH2 3.44Å; E210-R219 IonicContact OE2-CZ 2.78Å; E210-R219 IonicContact OE2-NE 3.14Å; E210-R219 IonicContact OE2-NH2 3.84Å; E210-R219 PolarHBondContact OE2-NH2 3.06Å |
| 211 | I | 57.3 | Low | 64.1 | Low | 36 Ų | 36 | 101.8 Ų | 101.8 | 19% | 0.185 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -87.1 | -13.6 | -176.8 | -57.7 | 164.4 | 0 | 0 | 0 | 111.7 | L206 D207 E208 D213 R217 L220 | L206-I211 HydrophobicContact CB-CD1 3.87Å; L206-I211 HydrophobicContact CD2-CD1 3.66Å; L206-I211 HydrophobicContact CG-CD1 4.23Å; D207-I211 PolarHBondContact O-N 3.38Å; E208-I211 PolarHBondContact O-N 2.96Å; I211-D213 VanDerWaalsContact C-N 3.28Å; I211-D213 PolarHBondContact O-N 3.36Å; I211-R217 HydrophobicContact CG2-CG 3.94Å; I211-R217 WeakPolarHBondContact O-CG 3.4Å; I211-R217 PolarHBondContact O-NH1 3.26Å; I211-L220 HydrophobicContact CD1-CD2 4.14Å; I211-L220 HydrophobicContact CG1-CD2 3.87Å |
| 212 | L | 60.7 | Low | 63.9 | Low | 128 Ų | 128 | 94.6 Ų | 94.6 | 67% | 0.67 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -62.2 | -32.9 | -176 | -100.2 | 146.6 | 0 | 0 | 0 | 113.3 | ||
| 213 | D | 65.9 | Low | 63.7 | Low | 117 Ų | 117 | 95.2 Ų | 95.2 | 63% | 0.626 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -99.9 | 142.4 | 179.6 | -67.6 | -30.7 | 0 | 0 | 0 | 111.5 | I211 E215 G216 R217 | I211-D213 VanDerWaalsContact C-N 3.28Å; I211-D213 PolarHBondContact O-N 3.36Å; D213-E215 PolarHBondContact O-N 3.04Å; D213-E215 VanDerWaalsContact O-N 3.16Å; D213-G216 WeakPolarHBondContact O-CA 3.44Å; D213-G216 PolarHBondContact O-N 2.86Å; D213-R217 PolarHBondContact O-N 3.19Å |
| 214 | E | 67.1 | Low | 63.7 | Low | 167 Ų | 167 | 90.2 Ų | 90.2 | 78% | 0.78 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -55.3 | -31.9 | 172.4 | -67.4 | 178.2 | 171.5 | 0 | 0 | 111.7 | T218 | E214-T218 WeakPolarHBondContact O-CG2 3.38Å; E214-T218 PolarHBondContact O-N 3.46Å; E214-T218 PolarHBondContact O-OG1 2.89Å; E214-T218 VanDerWaalsContact O-OG1 3.09Å |
| 215 | E | 69.7 | Low | 64.4 | Low | 66 Ų | 66 | 90.2 Ų | 90.2 | 31% | 0.308 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.4 | -35.8 | 173.2 | -168.7 | 178.2 | 165.3 | 0 | 0 | 112.5 | D213 T218 R219 K319 | D213-E215 PolarHBondContact O-N 3.04Å; D213-E215 VanDerWaalsContact O-N 3.16Å; E215-T218 VanDerWaalsContact C-OG1 3.3Å; E215-T218 VanDerWaalsContact CA-OG1 3.31Å; E215-T218 WeakPolarHBondContact CA-OG1 3.24Å; E215-T218 PolarHBondContact O-N 2.8Å; E215-T218 PolarHBondContact O-OG1 2.78Å; E215-R219 PolarHBondContact O-N 3.48Å; E215-K319 WeakPolarHBondContact OE1-CE 3.32Å; E215-K319 IonicContact OE1-NZ 3.86Å; E215-K319 PolarHBondContact OE1-NZ 3.42Å |
| 216 | G | 67.7 | Low | 65.5 | Low | 8 Ų | 8 | 83.7 Ų | 83.7 | 8% | 0.082 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -77.7 | -34.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E210 D213 T218 R219 L220 | E210-G216 CarbonylContact O-C 3.46Å; E210-G216 VanDerWaalsContact O-C 3.27Å; E210-G216 WeakPolarHBondContact O-CA 3.18Å; D213-G216 WeakPolarHBondContact O-CA 3.44Å; D213-G216 PolarHBondContact O-N 2.86Å; G216-T218 VanDerWaalsContact C-N 3.32Å; G216-T218 PolarHBondContact O-N 2.96Å; G216-R219 PolarHBondContact O-N 2.84Å; G216-L220 WeakPolarHBondContact O-CB 3.1Å; G216-L220 PolarHBondContact O-N 3.5Å |
| 217 | R | 67.4 | Low | 67.1 | Low | 143 Ų | 143 | 80.2 Ų | 80.2 | 54% | 0.54 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.7 | -43.3 | 166 | -77.1 | -168.8 | 170.9 | 100.6 | 1.1 | 112.5 | I211 D213 L220 K221 | I211-R217 HydrophobicContact CG2-CG 3.94Å; I211-R217 WeakPolarHBondContact O-CG 3.4Å; I211-R217 PolarHBondContact O-NH1 3.26Å; D213-R217 PolarHBondContact O-N 3.19Å; R217-L220 PolarHBondContact O-N 3.09Å; R217-K221 PolarHBondContact O-N 2.88Å |
| 218 | T | 65.6 | Low | 68.8 | Low | 52 Ų | 52 | 76.1 Ų | 76.1 | 32% | 0.319 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 176.6 | 52.3 | 0 | 0 | 0 | 0 | 110.3 | E214 E215 G216 L220 K221 L222 K311 | E214-T218 WeakPolarHBondContact O-CG2 3.38Å; E214-T218 PolarHBondContact O-N 3.46Å; E214-T218 PolarHBondContact O-OG1 2.89Å; E214-T218 VanDerWaalsContact O-OG1 3.09Å; E215-T218 VanDerWaalsContact C-OG1 3.3Å; E215-T218 VanDerWaalsContact CA-OG1 3.31Å; E215-T218 WeakPolarHBondContact CA-OG1 3.24Å; E215-T218 PolarHBondContact O-N 2.8Å; E215-T218 PolarHBondContact O-OG1 2.78Å; G216-T218 VanDerWaalsContact C-N 3.32Å; G216-T218 PolarHBondContact O-N 2.96Å; T218-L220 PolarHBondContact O-N 3.24Å; T218-K221 PolarHBondContact O-N 3.07Å; T218-L222 PolarHBondContact O-N 2.87Å; T218-K311 HydrophobicContact CG2-CG 4.45Å; T218-K311 WeakPolarHBondContact O-CE 3.4Å; T218-K311 PolarHBondContact O-NZ 3.06Å |
| 219 | R | 68 | Low | 70.6 | Confident | 143 Ų | 143 | 70.2 Ų | 70.2 | 54% | 0.54 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 173.9 | -167.7 | 166.4 | 74.9 | -171.2 | 10.6 | 112.6 | E210 E215 G216 K221 L222 K223 | E210-R219 IonicContact OE1-CZ 2.82Å; E210-R219 IonicContact OE1-NE 2.76Å; E210-R219 PolarHBondContact OE1-NE 3.32Å; E210-R219 IonicContact OE1-NH2 3.75Å; E210-R219 PolarHBondContact OE1-NH2 3.44Å; E210-R219 IonicContact OE2-CZ 2.78Å; E210-R219 IonicContact OE2-NE 3.14Å; E210-R219 IonicContact OE2-NH2 3.84Å; E210-R219 PolarHBondContact OE2-NH2 3.06Å; E215-R219 PolarHBondContact O-N 3.48Å; G216-R219 PolarHBondContact O-N 2.84Å; R219-K221 PolarHBondContact O-N 3.12Å; R219-L222 WeakPolarHBondContact O-CB 3.17Å; R219-L222 PolarHBondContact O-N 3.48Å; R219-L222 VanDerWaalsContact O-N 3.17Å; R219-K223 PolarHBondContact O-N 3.04Å |
| 220 | L | 66.9 | Low | 72.4 | Confident | 28 Ų | 28 | 67.8 Ų | 67.8 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.2 | -49.6 | 177.6 | 178.3 | 63.8 | 0 | 0 | 0 | 111.5 | L206 I211 G216 R217 T218 L222 K223 V224 | L206-L220 HydrophobicContact CD2-CD1 4.17Å; L206-L220 HydrophobicContact CD2-CD2 3.45Å; L206-L220 VanDerWaalsContact CD2-CD2 3.45Å; L206-L220 HydrophobicContact CD2-CG 4.4Å; I211-L220 HydrophobicContact CD1-CD2 4.14Å; I211-L220 HydrophobicContact CG1-CD2 3.87Å; G216-L220 WeakPolarHBondContact O-CB 3.1Å; G216-L220 PolarHBondContact O-N 3.5Å; R217-L220 PolarHBondContact O-N 3.09Å; T218-L220 PolarHBondContact O-N 3.24Å; L220-L222 VanDerWaalsContact C-N 3.25Å; L220-L222 PolarHBondContact O-N 3.31Å; L220-K223 CarbonylContact O-C 3.27Å; L220-K223 WeakPolarHBondContact O-CA 3.15Å; L220-K223 WeakPolarHBondContact O-CB 3.36Å; L220-K223 PolarHBondContact O-N 3.04Å; L220-V224 HydrophobicContact CD1-CG2 4.21Å; L220-V224 HydrophobicContact CG-CG2 4.49Å; L220-V224 WeakPolarHBondContact O-CG2 3.3Å; L220-V224 PolarHBondContact O-N 3.15Å |
| 221 | K | 68.4 | Low | 74.1 | Confident | 93 Ų | 93 | 71 Ų | 71 | 40% | 0.404 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.9 | -32.3 | 179.1 | 174.5 | 174.9 | -177.4 | -172.9 | 0 | 112.2 | R217 T218 R219 E225 F307 K311 | R217-K221 PolarHBondContact O-N 2.88Å; T218-K221 PolarHBondContact O-N 3.07Å; R219-K221 PolarHBondContact O-N 3.12Å; K221-E225 WeakPolarHBondContact CE-OE1 3.23Å; K221-E225 WeakPolarHBondContact CE-OE2 3.37Å; K221-E225 IonicContact NZ-OE1 3.94Å; K221-E225 PolarHBondContact O-N 2.98Å; K221-E225 VanDerWaalsContact O-N 3.14Å; K221-F307 HydrophobicContact CD-CE1 3.96Å; K221-F307 HydrophobicContact CD-CZ 3.52Å; K221-F307 HydrophobicContact CG-CE1 3.99Å; K221-F307 HydrophobicContact CG-CZ 4.06Å; K221-F307 VanDerWaalsContact NZ-CZ 3.29Å; K221-K311 VanDerWaalsContact C-NZ 3.3Å; K221-K311 VanDerWaalsContact CG-NZ 3.34Å |
| 222 | L | 72.1 | Confident | 75.7 | Confident | 20 Ų | 20 | 73.1 Ų | 73.1 | 11% | 0.105 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.7 | -41.2 | 171.5 | -77.2 | 168.5 | 0 | 0 | 0 | 110.8 | F189 T218 R219 L220 V224 N226 T308 K311 | F189-L222 HydrophobicContact CB-CD1 4.5Å; T218-L222 PolarHBondContact O-N 2.87Å; R219-L222 WeakPolarHBondContact O-CB 3.17Å; R219-L222 PolarHBondContact O-N 3.48Å; R219-L222 VanDerWaalsContact O-N 3.17Å; L220-L222 VanDerWaalsContact C-N 3.25Å; L220-L222 PolarHBondContact O-N 3.31Å; L222-V224 VanDerWaalsContact C-N 3.32Å; L222-V224 PolarHBondContact O-N 3.17Å; L222-N226 VanDerWaalsContact CD2-ND2 3.34Å; L222-N226 WeakPolarHBondContact CD2-ND2 3.2Å; L222-N226 WeakPolarHBondContact O-CA 3.38Å; L222-N226 WeakPolarHBondContact O-CB 3.38Å; L222-N226 PolarHBondContact O-N 3.12Å; L222-T308 HydrophobicContact CD2-CG2 4.17Å; L222-K311 HydrophobicContact CD1-CD 4.14Å; L222-K311 HydrophobicContact CD1-CG 4.12Å; L222-K311 HydrophobicContact CD2-CD 3.83Å; L222-K311 HydrophobicContact CD2-CG 4.41Å; L222-K311 HydrophobicContact CG-CD 3.69Å; L222-K311 HydrophobicContact CG-CG 4.22Å |
| 223 | K | 71.2 | Confident | 76.9 | Confident | 92 Ų | 92 | 67.6 Ų | 67.6 | 40% | 0.4 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 177.4 | -167.3 | -178.4 | 176 | -166.6 | 0 | 110.8 | E205 R219 L220 T227 | E205-K223 IonicContact OE2-NZ 2.71Å; R219-K223 PolarHBondContact O-N 3.04Å; L220-K223 CarbonylContact O-C 3.27Å; L220-K223 WeakPolarHBondContact O-CA 3.15Å; L220-K223 WeakPolarHBondContact O-CB 3.36Å; L220-K223 PolarHBondContact O-N 3.04Å; K223-T227 WeakPolarHBondContact O-CB 3.45Å; K223-T227 PolarHBondContact O-OG1 3.3Å |
| 224 | V | 70.2 | Confident | 77.9 | Confident | 55 Ų | 55 | 70.5 Ų | 70.5 | 33% | 0.333 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -71.8 | -50.9 | -178 | 178.3 | 0 | 0 | 0 | 0 | 112 | L220 L222 R229 | L220-V224 HydrophobicContact CD1-CG2 4.21Å; L220-V224 HydrophobicContact CG-CG2 4.49Å; L220-V224 WeakPolarHBondContact O-CG2 3.3Å; L220-V224 PolarHBondContact O-N 3.15Å; L222-V224 VanDerWaalsContact C-N 3.32Å; L222-V224 PolarHBondContact O-N 3.17Å; V224-R229 PolarHBondContact O-NH2 3.03Å |
| 225 | E | 78.7 | Confident | 78.7 | Confident | 75 Ų | 75 | 64.1 Ų | 64.1 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -73.6 | -39.8 | -176.7 | -69.6 | 171.3 | 166.3 | 0 | 0 | 111.7 | K221 T227 L260 F307 | K221-E225 WeakPolarHBondContact CE-OE1 3.23Å; K221-E225 WeakPolarHBondContact CE-OE2 3.37Å; K221-E225 IonicContact NZ-OE1 3.94Å; K221-E225 PolarHBondContact O-N 2.98Å; K221-E225 VanDerWaalsContact O-N 3.14Å; E225-T227 PolarHBondContact O-N 2.98Å; E225-L260 WeakPolarHBondContact O-CD2 3.46Å; E225-F307 WeakPolarHBondContact OE2-CD1 3.21Å; E225-F307 WeakPolarHBondContact OE2-CE1 2.77Å |
| 226 | N | 84.3 | Confident | 79.3 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 40.6 | -174.7 | -55.4 | -20.1 | 0 | 0 | 0 | 114.1 | F189 L190 S191 L222 L260 T308 | F189-N226 WeakPolarHBondContact O-CB 3.26Å; F189-N226 PolarHBondContact O-ND2 2.91Å; L190-N226 WeakPolarHBondContact CA-O 3.26Å; L190-N226 HydrophobicContact CD1-CB 4.21Å; S191-N226 PolarHBondContact N-O 3.23Å; L222-N226 VanDerWaalsContact CD2-ND2 3.34Å; L222-N226 WeakPolarHBondContact CD2-ND2 3.2Å; L222-N226 WeakPolarHBondContact O-CA 3.38Å; L222-N226 WeakPolarHBondContact O-CB 3.38Å; L222-N226 PolarHBondContact O-N 3.12Å; N226-L260 HydrophobicContact CB-CD2 4.18Å; N226-T308 WeakPolarHBondContact ND2-CG2 3.09Å |
| 227 | T | 87.6 | Confident | 79.9 | Confident | 3 Ų | 3 | 73.3 Ų | 73.3 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123 | 171 | -67.7 | 0 | 0 | 0 | 0 | 111 | S191 E193 K223 E225 R229 N245 | S191-T227 WeakPolarHBondContact CB-OG1 3.25Å; S191-T227 CarbonylContact O-C 3.59Å; S191-T227 WeakPolarHBondContact O-CA 3.21Å; E193-T227 HydrophobicContact CB-CG2 4.39Å; E193-T227 HydrophobicContact CG-CG2 3.72Å; E193-T227 WeakPolarHBondContact OE1-CG2 3.5Å; K223-T227 WeakPolarHBondContact O-CB 3.45Å; K223-T227 PolarHBondContact O-OG1 3.3Å; E225-T227 PolarHBondContact O-N 2.98Å; T227-R229 HydrophobicContact CG2-CG 3.73Å; T227-R229 PolarHBondContact O-N 3.16Å; T227-N245 PolarHBondContact O-ND2 2.56Å |
| 228 | I | 91.7 | Very high | 80.7 | Confident | 22 Ų | 22 | 69.3 Ų | 69.3 | 11% | 0.113 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 122.8 | 169.9 | -63.9 | 162.3 | 0 | 0 | 0 | 108.1 | M186 L190 S191 V192 E193 A246 L258 L260 | M186-I228 HydrophobicContact CE-CD1 4.42Å; L190-I228 HydrophobicContact CD1-CD1 4.3Å; L190-I228 HydrophobicContact CD1-CG1 4.33Å; L190-I228 HydrophobicContact CD2-CD1 4.05Å; L190-I228 HydrophobicContact CG-CD1 4.26Å; S191-I228 PolarHBondContact O-N 2.74Å; V192-I228 WeakPolarHBondContact CA-O 3.22Å; V192-I228 HydrophobicContact CB-CB 4.4Å; V192-I228 HydrophobicContact CG1-CB 4.44Å; V192-I228 HydrophobicContact CG1-CG2 4.42Å; V192-I228 HydrophobicContact CG2-CB 3.9Å; V192-I228 HydrophobicContact CG2-CD1 3.69Å; V192-I228 HydrophobicContact CG2-CG1 4.31Å; V192-I228 HydrophobicContact CG2-CG2 4.44Å; E193-I228 PolarHBondContact N-O 3.29Å; I228-A246 HydrophobicContact CB-CB 4.36Å; I228-A246 HydrophobicContact CG1-CB 3.93Å; I228-A246 HydrophobicContact CG2-CB 3.81Å; I228-L258 HydrophobicContact CD1-CD2 4.09Å; I228-L260 HydrophobicContact CB-CD1 4.27Å; I228-L260 HydrophobicContact CG1-CD1 3.5Å; I228-L260 VanDerWaalsContact CG1-CD1 3.5Å |
| 229 | R | 91.4 | Very high | 81.6 | Confident | 39 Ų | 39 | 73.2 Ų | 73.2 | 15% | 0.147 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 150.6 | -178.5 | -53.1 | -174.7 | -173.9 | 135.5 | 11.1 | 109.8 | E193 F197 V224 T227 N245 | E193-R229 HydrophobicContact CB-CG 4.22Å; E193-R229 HydrophobicContact CG-CG 4.28Å; E193-R229 WeakPolarHBondContact OE1-CD 3.47Å; E193-R229 IonicContact OE1-CZ 3.08Å; E193-R229 IonicContact OE1-NE 3.6Å; E193-R229 PolarHBondContact OE1-NE 3.48Å; E193-R229 IonicContact OE1-NH2 3.72Å; E193-R229 VanDerWaalsContact OE2-CD 3.24Å; E193-R229 WeakPolarHBondContact OE2-CD 3.3Å; E193-R229 WeakPolarHBondContact OE2-CG 3.18Å; E193-R229 IonicContact OE2-NE 2.73Å; F197-R229 HydrophobicContact CB-CB 4.25Å; V224-R229 PolarHBondContact O-NH2 3.03Å; T227-R229 HydrophobicContact CG2-CG 3.73Å; T227-R229 PolarHBondContact O-N 3.16Å; R229-N245 PolarHBondContact N-OD1 3.34Å; R229-N245 PolarHBondContact O-N 3.16Å; R229-N245 VanDerWaalsContact O-N 3.12Å; R229-N245 PolarHBondContact O-OD1 2.83Å |
| 230 | W | 92.6 | Very high | 82.3 | Confident | 87 Ų | 87 | 73.1 Ų | 73.1 | 33% | 0.33 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 146.2 | 174 | 68.9 | -75 | 0 | 0 | 0 | 109.2 | T194 R195 P196 F197 I232 E243 | T194-W230 PolarHBondContact O-NE1 2.78Å; R195-W230 PolarHBondContact O-NE1 3.35Å; P196-W230 CarbonylContact C-O 3.58Å; P196-W230 VanDerWaalsContact CA-O 3.3Å; P196-W230 WeakPolarHBondContact CA-O 3.39Å; P196-W230 HydrophobicContact CB-CD2 4.38Å; P196-W230 HydrophobicContact CB-CE3 4.33Å; P196-W230 HydrophobicContact CB-CH2 3.88Å; P196-W230 HydrophobicContact CB-CZ2 3.89Å; P196-W230 HydrophobicContact CB-CZ3 4.1Å; P196-W230 HydrophobicContact CG-CH2 4.25Å; P196-W230 HydrophobicContact CG-CZ2 4.2Å; F197-W230 WeakPolarHBondContact CB-O 3.44Å; F197-W230 PolarHBondContact N-O 2.79Å; W230-I232 HydrophobicContact CE3-CG1 4.39Å; W230-I232 HydrophobicContact CH2-CD1 4.42Å; W230-I232 HydrophobicContact CH2-CG1 4.49Å; W230-I232 HydrophobicContact CZ3-CD1 4.1Å; W230-I232 HydrophobicContact CZ3-CG1 3.74Å; W230-E243 CarbonylContact C-O 3.59Å; W230-E243 WeakPolarHBondContact CA-O 3.43Å |
| 231 | R | 92.2 | Very high | 83.4 | Confident | 116 Ų | 116 | 75.2 Ų | 75.2 | 44% | 0.438 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 160.8 | 175.8 | 68.3 | 179.5 | -174.9 | -174.8 | 0.4 | 110.4 | F197 E243 | F197-R231 HydrophobicContact CB-CB 4.27Å; F197-R231 WeakPolarHBondContact O-CB 3.02Å; R231-E243 HydrophobicContact CG-CB 3.97Å; R231-E243 IonicContact CZ-OE2 3.16Å; R231-E243 PolarHBondContact N-O 3.11Å; R231-E243 IonicContact NE-OE2 2.65Å; R231-E243 PolarHBondContact NE-OE2 2.95Å; R231-E243 IonicContact NH2-OE2 2.91Å; R231-E243 PolarHBondContact NH2-OE2 2.9Å; R231-E243 PolarHBondContact O-N 2.73Å |
| 232 | I | 89.7 | Confident | 84.4 | Confident | 80 Ų | 80 | 77.3 Ų | 77.3 | 41% | 0.41 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 99.9 | 173.7 | -53.1 | 176.3 | 0 | 0 | 0 | 107.1 | P196 W230 M240 I241 | P196-I232 HydrophobicContact CB-CD1 4.44Å; P196-I232 HydrophobicContact CB-CG1 4.33Å; W230-I232 HydrophobicContact CE3-CG1 4.39Å; W230-I232 HydrophobicContact CH2-CD1 4.42Å; W230-I232 HydrophobicContact CH2-CG1 4.49Å; W230-I232 HydrophobicContact CZ3-CD1 4.1Å; W230-I232 HydrophobicContact CZ3-CG1 3.74Å; I232-M240 HydrophobicContact CG2-CB 3.97Å; I232-M240 HydrophobicContact CG2-CG 4.3Å; I232-M240 HydrophobicContact CG2-SD 4.36Å; I232-I241 CarbonylContact C-O 3.53Å |
| 233 | G | 86.2 | Confident | 85.3 | Confident | 13 Ų | 13 | 80.1 Ų | 80.1 | 13% | 0.134 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 156.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | M240 I241 | G233-M240 CarbonylContact O-C 3.42Å; G233-M240 WeakPolarHBondContact O-CA 3.21Å; G233-I241 PolarHBondContact N-O 3.23Å; G233-I241 PolarHBondContact O-N 3.07Å |
| 234 | K | 87.1 | Confident | 86.2 | Confident | 177 Ų | 177 | 78.4 Ų | 78.4 | 77% | 0.77 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.3 | 170.7 | -67.5 | -179.3 | -179.7 | 178.6 | 0 | 108.7 | E239 | K234-E239 WeakPolarHBondContact CA-O 3.35Å |
| 235 | T | 84.4 | Confident | 87.3 | Confident | 34 Ų | 34 | 79 Ų | 79 | 21% | 0.209 | 41% | 0.407 | C | S | . | . | trans | -64.5 | 154.8 | 172.9 | -53.1 | 0 | 0 | 0 | 0 | 109.6 | D237 G238 E239 I241 | T235-D237 HydrophobicContact CG2-CB 4.27Å; T235-D237 PolarHBondContact O-N 3.46Å; T235-G238 PolarHBondContact O-N 3.41Å; T235-E239 PolarHBondContact N-O 3.38Å; T235-E239 PolarHBondContact OG1-O 3.37Å; T235-I241 WeakPolarHBondContact OG1-CD1 3.23Å; T235-I241 VanDerWaalsContact OG1-CG1 3.31Å; T235-I241 WeakPolarHBondContact OG1-CG1 3.12Å | ||
| 236 | P | 81.6 | Confident | 87.9 | Confident | 131 Ų | 131 | 75.7 Ų | 75.7 | 85% | 0.851 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -26.2 | 169.6 | 18.8 | -34.4 | 0 | 0 | 0 | 114.1 | G238 | P236-G238 VanDerWaalsContact C-N 3.27Å; P236-G238 PolarHBondContact O-N 3.27Å |
| 237 | D | 81.4 | Confident | 88.3 | Confident | 136 Ų | 136 | 84.8 Ų | 84.8 | 73% | 0.727 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 1.7 | 178 | -54.6 | -46.7 | 0 | 0 | 0 | 113.8 | T235 E239 | T235-D237 HydrophobicContact CG2-CB 4.27Å; T235-D237 PolarHBondContact O-N 3.46Å; D237-E239 VanDerWaalsContact C-N 3.32Å; D237-E239 PolarHBondContact O-N 3.31Å |
| 238 | G | 82.5 | Confident | 88.5 | Confident | 58 Ų | 58 | 86.5 Ų | 86.5 | 60% | 0.598 | 44% | 0.435 | S | S | * | . | S | Bend | trans | 83.7 | -0.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | T235 P236 | T235-G238 PolarHBondContact O-N 3.41Å; P236-G238 VanDerWaalsContact C-N 3.27Å; P236-G238 PolarHBondContact O-N 3.27Å |
| 239 | E | 84.7 | Confident | 88.6 | Confident | 134 Ų | 134 | 87.7 Ų | 87.7 | 63% | 0.626 | 44% | 0.444 | S | S | * | . | trans | -73.7 | 139.7 | 174.9 | -64.2 | -171.7 | 165.4 | 0 | 0 | 111.7 | K234 T235 D237 | K234-E239 WeakPolarHBondContact CA-O 3.35Å; T235-E239 PolarHBondContact N-O 3.38Å; T235-E239 PolarHBondContact OG1-O 3.37Å; D237-E239 VanDerWaalsContact C-N 3.32Å; D237-E239 PolarHBondContact O-N 3.31Å | ||
| 240 | M | 84.4 | Confident | 88.7 | Confident | 141 Ų | 141 | 91.5 Ų | 91.5 | 70% | 0.695 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 112.6 | 175.8 | -67.5 | -172.6 | -68.6 | 0 | 0 | 109.2 | I232 G233 | I232-M240 HydrophobicContact CG2-CB 3.97Å; I232-M240 HydrophobicContact CG2-CG 4.3Å; I232-M240 HydrophobicContact CG2-SD 4.36Å; G233-M240 CarbonylContact O-C 3.42Å; G233-M240 WeakPolarHBondContact O-CA 3.21Å |
| 241 | I | 89.5 | Confident | 88.8 | Confident | 73 Ų | 73 | 93.1 Ų | 93.1 | 37% | 0.374 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 134.1 | 177.8 | -62.7 | -173.3 | 0 | 0 | 0 | 109.3 | I232 G233 T235 E243 | I232-I241 CarbonylContact C-O 3.53Å; G233-I241 PolarHBondContact N-O 3.23Å; G233-I241 PolarHBondContact O-N 3.07Å; T235-I241 WeakPolarHBondContact OG1-CD1 3.23Å; T235-I241 VanDerWaalsContact OG1-CG1 3.31Å; T235-I241 WeakPolarHBondContact OG1-CG1 3.12Å; I241-E243 HydrophobicContact CG2-CG 4.27Å; I241-E243 PolarHBondContact O-N 3.39Å |
| 242 | H | 88.9 | Confident | 88.9 | Confident | 136 Ų | 136 | 94.2 Ų | 94.2 | 63% | 0.63 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 116.2 | 169.5 | -60.5 | 152 | 0 | 0 | 0 | 109.5 | ||
| 243 | E | 91 | Very high | 89.1 | Confident | 79 Ų | 79 | 96.1 Ų | 96.1 | 37% | 0.369 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 131.2 | 176.7 | -63.7 | -177 | 161.9 | 0 | 0 | 109.3 | W230 R231 I241 | W230-E243 CarbonylContact C-O 3.59Å; W230-E243 WeakPolarHBondContact CA-O 3.43Å; R231-E243 HydrophobicContact CG-CB 3.97Å; R231-E243 IonicContact CZ-OE2 3.16Å; R231-E243 PolarHBondContact N-O 3.11Å; R231-E243 IonicContact NE-OE2 2.65Å; R231-E243 PolarHBondContact NE-OE2 2.95Å; R231-E243 IonicContact NH2-OE2 2.91Å; R231-E243 PolarHBondContact NH2-OE2 2.9Å; R231-E243 PolarHBondContact O-N 2.73Å; I241-E243 HydrophobicContact CG2-CG 4.27Å; I241-E243 PolarHBondContact O-N 3.39Å |
| 244 | S | 91.1 | Very high | 89.3 | Confident | 56 Ų | 56 | 98.2 Ų | 98.2 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 138.3 | 175.8 | 172 | 0 | 0 | 0 | 0 | 109.2 | A246 | S244-A246 PolarHBondContact O-N 3.46Å; S244-A246 PolarHBondContact OG-N 3.32Å; S244-A246 VanDerWaalsContact OG-N 3.12Å; S244-A246 PolarHBondContact OG-O 2.92Å |
| 245 | N | 91.4 | Very high | 89.5 | Confident | 69 Ų | 69 | 92.2 Ų | 92.2 | 37% | 0.369 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -73.5 | -16.1 | 171.4 | 71.5 | -19.9 | 0 | 0 | 0 | 112.7 | T227 R229 | T227-N245 PolarHBondContact O-ND2 2.56Å; R229-N245 PolarHBondContact N-OD1 3.34Å; R229-N245 PolarHBondContact O-N 3.16Å; R229-N245 VanDerWaalsContact O-N 3.12Å; R229-N245 PolarHBondContact O-OD1 2.83Å |
| 246 | A | 92.6 | Very high | 90 | Very high | 4 Ų | 4 | 91.7 Ų | 91.7 | 3% | 0.033 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 139.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I228 S244 L258 H259 L260 | I228-A246 HydrophobicContact CB-CB 4.36Å; I228-A246 HydrophobicContact CG1-CB 3.93Å; I228-A246 HydrophobicContact CG2-CB 3.81Å; S244-A246 PolarHBondContact O-N 3.46Å; S244-A246 PolarHBondContact OG-N 3.32Å; S244-A246 VanDerWaalsContact OG-N 3.12Å; S244-A246 PolarHBondContact OG-O 2.92Å; A246-L258 HydrophobicContact CB-CD1 4.16Å; A246-H259 CarbonylContact C-O 3.59Å; A246-H259 VanDerWaalsContact CA-O 3.32Å; A246-H259 WeakPolarHBondContact CA-O 3.4Å; A246-L260 HydrophobicContact CB-CD1 3.57Å |
| 247 | R | 92.1 | Very high | 90.5 | Very high | 192 Ų | 192 | 85.5 Ų | 85.5 | 73% | 0.725 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 136.8 | 174.5 | -73.2 | -178.4 | 155.9 | 162.7 | -4.9 | 110.8 | H259 | R247-H259 PolarHBondContact N-O 2.88Å; R247-H259 PolarHBondContact O-N 3.16Å |
| 248 | I | 92.7 | Very high | 91.1 | Very high | 40 Ų | 40 | 79.1 Ų | 79.1 | 21% | 0.205 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 120.1 | 170 | -63.5 | 178.8 | 0 | 0 | 0 | 108 | M1 L256 S257 L258 I267 | M1-I248 HydrophobicContact CE-CD1 4.37Å; M1-I248 HydrophobicContact CE-CG1 4.45Å; M1-I248 HydrophobicContact SD-CD1 3.41Å; M1-I248 WeakPolarHBondContact SD-CD1 3.49Å; M1-I248 HydrophobicContact SD-CG1 4.1Å; I248-L256 HydrophobicContact CG2-CD2 4Å; I248-S257 CarbonylContact C-O 3.57Å; I248-S257 WeakPolarHBondContact CA-O 3.33Å; I248-L258 HydrophobicContact CG1-CD1 3.84Å; I248-I267 HydrophobicContact CB-CD1 4.48Å; I248-I267 HydrophobicContact CD1-CD1 4.15Å; I248-I267 HydrophobicContact CG1-CD1 3.99Å; I248-I267 HydrophobicContact CG2-CD1 3.86Å |
| 249 | V | 93.5 | Very high | 91.6 | Very high | 47 Ų | 47 | 78.8 Ų | 78.8 | 29% | 0.285 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.2 | 175.7 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | W251 L256 S257 | V249-W251 HydrophobicContact CG1-CD2 4.18Å; V249-W251 HydrophobicContact CG1-CH2 4.41Å; V249-W251 HydrophobicContact CG1-CZ2 4.03Å; V249-L256 CarbonylContact O-C 3.59Å; V249-L256 WeakPolarHBondContact O-CA 3.06Å; V249-S257 PolarHBondContact N-O 3.41Å; V249-S257 PolarHBondContact O-N 2.82Å |
| 250 | R | 94.1 | Very high | 91.9 | Very high | 118 Ų | 118 | 72.6 Ų | 72.6 | 45% | 0.445 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.5 | 170.2 | 173.1 | 171.3 | 29.4 | -84.1 | -21.7 | 108.4 | Y5 L256 | Y5-R250 PolarHBondContact OH-NE 2.99Å; Y5-R250 PolarHBondContact OH-NH1 3.34Å; Y5-R250 PolarHBondContact OH-NH2 3.46Å; R250-L256 HydrophobicContact CB-CD2 3.67Å; R250-L256 HydrophobicContact CG-CD2 4.13Å |
| 251 | W | 94.7 | Very high | 91.9 | Very high | 121 Ų | 121 | 69 Ų | 69 | 46% | 0.458 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -83 | 159.2 | 179.6 | -59.6 | 100.2 | 0 | 0 | 0 | 110.3 | V249 D253 G254 S255 S257 H259 | V249-W251 HydrophobicContact CG1-CD2 4.18Å; V249-W251 HydrophobicContact CG1-CH2 4.41Å; V249-W251 HydrophobicContact CG1-CZ2 4.03Å; W251-D253 WeakPolarHBondContact CB-OD1 3.29Å; W251-D253 PolarHBondContact O-N 3.5Å; W251-G254 PolarHBondContact O-N 3.49Å; W251-S255 WeakPolarHBondContact CB-OG 3.35Å; W251-S255 VanDerWaalsContact CD1-OG 3.31Å; W251-S255 PolarHBondContact N-O 3.24Å; W251-S257 PolarHBondContact NE1-OG 2.96Å; W251-H259 AromaticContact CZ2-NE2 3.76Å |
| 252 | S | 93.5 | Very high | 91.7 | Very high | 139 Ų | 139 | 72.2 Ų | 72.2 | 97% | 0.972 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.6 | -178.6 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | G254 | S252-G254 VanDerWaalsContact C-N 3.26Š|
| 253 | D | 93.1 | Very high | 91.6 | Very high | 121 Ų | 121 | 66.7 Ų | 66.7 | 65% | 0.647 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -2.3 | 174 | 68 | -7.9 | 0 | 0 | 0 | 113.3 | W251 S255 | W251-D253 WeakPolarHBondContact CB-OD1 3.29Å; W251-D253 PolarHBondContact O-N 3.5Å; D253-S255 VanDerWaalsContact C-N 3.31Å; D253-S255 VanDerWaalsContact CG-OG 3.29Å; D253-S255 VanDerWaalsContact OD1-CB 3.25Å; D253-S255 WeakPolarHBondContact OD1-CB 3.48Å; D253-S255 PolarHBondContact OD1-N 2.93Å; D253-S255 PolarHBondContact OD1-OG 2.81Å; D253-S255 PolarHBondContact OD2-OG 3.46Å |
| 254 | G | 90.6 | Very high | 91.6 | Very high | 56 Ų | 56 | 65.9 Ų | 65.9 | 58% | 0.577 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 85.1 | -2.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | W251 S252 | W251-G254 PolarHBondContact O-N 3.49Å; S252-G254 VanDerWaalsContact C-N 3.26Å |
| 255 | S | 92.3 | Very high | 91.7 | Very high | 51 Ų | 51 | 63.2 Ų | 63.2 | 36% | 0.357 | 35% | 0.348 | S | S | . | . | trans | -71.4 | 157.7 | 171 | 72.8 | 0 | 0 | 0 | 0 | 111 | W251 D253 | W251-S255 WeakPolarHBondContact CB-OG 3.35Å; W251-S255 VanDerWaalsContact CD1-OG 3.31Å; W251-S255 PolarHBondContact N-O 3.24Å; D253-S255 VanDerWaalsContact C-N 3.31Å; D253-S255 VanDerWaalsContact CG-OG 3.29Å; D253-S255 VanDerWaalsContact OD1-CB 3.25Å; D253-S255 WeakPolarHBondContact OD1-CB 3.48Å; D253-S255 PolarHBondContact OD1-N 2.93Å; D253-S255 PolarHBondContact OD1-OG 2.81Å; D253-S255 PolarHBondContact OD2-OG 3.46Å | ||
| 256 | L | 93.4 | Very high | 91.7 | Very high | 24 Ų | 24 | 62.2 Ų | 62.2 | 13% | 0.126 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.4 | -178.9 | -71.3 | 164.1 | 0 | 0 | 0 | 108.4 | I248 V249 R250 I267 | I248-L256 HydrophobicContact CG2-CD2 4Å; V249-L256 CarbonylContact O-C 3.59Å; V249-L256 WeakPolarHBondContact O-CA 3.06Å; R250-L256 HydrophobicContact CB-CD2 3.67Å; R250-L256 HydrophobicContact CG-CD2 4.13Å; L256-I267 HydrophobicContact CB-CB 3.81Å; L256-I267 HydrophobicContact CB-CD1 4.26Å; L256-I267 HydrophobicContact CB-CG1 4.37Å; L256-I267 HydrophobicContact CB-CG2 4.47Å; L256-I267 WeakPolarHBondContact O-CA 3.47Å; L256-I267 WeakPolarHBondContact O-CB 2.73Å; L256-I267 PolarHBondContact O-N 3.06Å |
| 257 | S | 93.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.007 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 147.4 | 170.4 | 65.2 | 0 | 0 | 0 | 0 | 110.9 | I248 V249 W251 H259 F265 | I248-S257 CarbonylContact C-O 3.57Å; I248-S257 WeakPolarHBondContact CA-O 3.33Å; V249-S257 PolarHBondContact N-O 3.41Å; V249-S257 PolarHBondContact O-N 2.82Å; W251-S257 PolarHBondContact NE1-OG 2.96Å; S257-H259 PolarHBondContact OG-CD2 2.81Å; S257-H259 VanDerWaalsContact OG-CD2 3.3Å; S257-H259 PolarHBondContact OG-NE2 3.22Å; S257-H259 VanDerWaalsContact OG-NE2 3.12Å; S257-F265 CarbonylContact C-O 3.59Å; S257-F265 VanDerWaalsContact CA-O 3.23Å; S257-F265 WeakPolarHBondContact CA-O 3.4Å |
| 258 | L | 92.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 117.8 | 169.6 | 179.3 | 71.7 | 0 | 0 | 0 | 107.9 | L190 I228 A246 I248 I264 F265 I267 F299 | L190-L258 HydrophobicContact CD1-CD2 4.39Å; L190-L258 HydrophobicContact CD2-CD2 3.93Å; I228-L258 HydrophobicContact CD1-CD2 4.09Å; A246-L258 HydrophobicContact CB-CD1 4.16Å; I248-L258 HydrophobicContact CG1-CD1 3.84Å; L258-I264 WeakPolarHBondContact O-CA 3.35Å; L258-F265 HydrophobicContact CB-CB 4.26Å; L258-F265 HydrophobicContact CD2-CD2 4.17Å; L258-F265 PolarHBondContact N-O 3.46Å; L258-F265 PolarHBondContact O-N 2.9Å; L258-I267 HydrophobicContact CB-CD1 3.89Å; L258-I267 HydrophobicContact CB-CG1 4.05Å; L258-F299 HydrophobicContact CB-CD1 4.1Å; L258-F299 HydrophobicContact CB-CE1 3.95Å; L258-F299 HydrophobicContact CD2-CD1 3.86Å; L258-F299 HydrophobicContact CD2-CE1 3.7Å; L258-F299 HydrophobicContact CG-CE1 4.31Å |
| 259 | H | 92.8 | Very high | 91.7 | Very high | 51 Ų | 51 | 59.6 Ų | 59.6 | 24% | 0.236 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 121.8 | 170.8 | -72.4 | -119.9 | 0 | 0 | 0 | 108.2 | A246 R247 W251 S257 | A246-H259 CarbonylContact C-O 3.59Å; A246-H259 VanDerWaalsContact CA-O 3.32Å; A246-H259 WeakPolarHBondContact CA-O 3.4Å; R247-H259 PolarHBondContact N-O 2.88Å; R247-H259 PolarHBondContact O-N 3.16Å; W251-H259 AromaticContact CZ2-NE2 3.76Å; S257-H259 PolarHBondContact OG-CD2 2.81Å; S257-H259 VanDerWaalsContact OG-CD2 3.3Å; S257-H259 PolarHBondContact OG-NE2 3.22Å; S257-H259 VanDerWaalsContact OG-NE2 3.12Å |
| 260 | L | 90.8 | Very high | 91.6 | Very high | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 97.6 | 178.8 | -169.3 | 88.4 | 0 | 0 | 0 | 108.4 | L190 E225 N226 I228 A246 D262 E263 F265 | L190-L260 HydrophobicContact CD1-CD2 4.01Å; E225-L260 WeakPolarHBondContact O-CD2 3.46Å; N226-L260 HydrophobicContact CB-CD2 4.18Å; I228-L260 HydrophobicContact CB-CD1 4.27Å; I228-L260 HydrophobicContact CG1-CD1 3.5Å; I228-L260 VanDerWaalsContact CG1-CD1 3.5Å; A246-L260 HydrophobicContact CB-CD1 3.57Å; L260-D262 PolarHBondContact O-N 2.79Å; L260-D262 VanDerWaalsContact O-N 3.15Å; L260-E263 PolarHBondContact N-O 3.43Å; L260-E263 PolarHBondContact O-N 3.09Å; L260-F265 HydrophobicContact CB-CE2 4.12Å; L260-F265 HydrophobicContact CD2-CE2 4.32Å |
| 261 | G | 85.3 | Confident | 91.4 | Very high | 66 Ų | 66 | 60.2 Ų | 60.2 | 68% | 0.68 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | -117.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 262 | D | 85.4 | Confident | 90.9 | Very high | 140 Ų | 140 | 55.7 Ų | 55.7 | 75% | 0.749 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -12.8 | 177.4 | 57.1 | -24.1 | 0 | 0 | 0 | 114.1 | L260 | L260-D262 PolarHBondContact O-N 2.79Å; L260-D262 VanDerWaalsContact O-N 3.15Å |
| 263 | E | 87.5 | Confident | 90.1 | Very high | 19 Ų | 19 | 57 Ų | 57 | 9% | 0.089 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 142.3 | 179.8 | -75.1 | -71.2 | 147.5 | 0 | 0 | 112.4 | L260 F265 S306 F307 T308 | L260-E263 PolarHBondContact N-O 3.43Å; L260-E263 PolarHBondContact O-N 3.09Å; E263-F265 HydrophobicContact CB-CE2 4.15Å; E263-F265 HydrophobicContact CB-CZ 4.29Å; E263-S306 WeakPolarHBondContact OE2-CB 3.5Å; E263-F307 WeakPolarHBondContact OE1-CB 3.32Å; E263-F307 PolarHBondContact OE1-N 3.43Å; E263-T308 HydrophobicContact CG-CG2 4.19Å; E263-T308 PolarHBondContact OE2-OG1 3.05Å |
| 264 | I | 91 | Very high | 88.9 | Confident | 63 Ų | 63 | 56.1 Ų | 56.1 | 32% | 0.323 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 128.8 | -178.8 | -55.1 | 173.5 | 0 | 0 | 0 | 109.3 | L258 H302 | L258-I264 WeakPolarHBondContact O-CA 3.35Å; I264-H302 HydrophobicContact CG2-CB 4.28Å; I264-H302 WeakPolarHBondContact O-CB 3.44Å; I264-H302 PolarHBondContact O-N 3.42Å |
| 265 | F | 91.5 | Very high | 88 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.5 | 175.5 | -53.6 | -86.4 | 0 | 0 | 0 | 111 | F189 L190 S257 L258 L260 E263 R300 T308 | F189-F265 HydrophobicContact CD2-CD1 4.37Å; F189-F265 AromaticContact CD2-CE1 3.74Å; F189-F265 HydrophobicContact CD2-CE1 3.74Å; F189-F265 HydrophobicContact CD2-CZ 4.4Å; F189-F265 AromaticContact CE2-CD1 3.71Å; F189-F265 HydrophobicContact CE2-CD1 3.71Å; F189-F265 AromaticContact CE2-CE1 3.56Å; F189-F265 HydrophobicContact CE2-CE1 3.56Å; F189-F265 HydrophobicContact CE2-CZ 4.47Å; L190-F265 HydrophobicContact CD1-CE2 4.14Å; L190-F265 HydrophobicContact CD1-CZ 4.41Å; S257-F265 CarbonylContact C-O 3.59Å; S257-F265 VanDerWaalsContact CA-O 3.23Å; S257-F265 WeakPolarHBondContact CA-O 3.4Å; L258-F265 HydrophobicContact CB-CB 4.26Å; L258-F265 HydrophobicContact CD2-CD2 4.17Å; L258-F265 PolarHBondContact N-O 3.46Å; L258-F265 PolarHBondContact O-N 2.9Å; L260-F265 HydrophobicContact CB-CE2 4.12Å; L260-F265 HydrophobicContact CD2-CE2 4.32Å; E263-F265 HydrophobicContact CB-CE2 4.15Å; E263-F265 HydrophobicContact CB-CZ 4.29Å; F265-R300 CarbonylContact C-O 3.58Å; F265-R300 VanDerWaalsContact CA-O 3.28Å; F265-R300 WeakPolarHBondContact CA-O 3.45Å; F265-R300 WeakPolarHBondContact CB-O 3.3Å; F265-T308 HydrophobicContact CE1-CG2 3.84Å; F265-T308 HydrophobicContact CZ-CG2 3.8Å |
| 266 | D | 93 | Very high | 87.3 | Confident | 47 Ų | 47 | 64.2 Ų | 64.2 | 25% | 0.251 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 132.6 | 169.9 | -75.4 | -17.1 | 0 | 0 | 0 | 110.8 | F299 R300 H302 | D266-F299 CarbonylContact O-C 3.55Å; D266-F299 WeakPolarHBondContact O-CA 3.47Å; D266-R300 PolarHBondContact N-O 3.34Å; D266-R300 PolarHBondContact O-N 2.79Å; D266-H302 IonicContact OD1-CD2 3.58Å; D266-H302 PolarHBondContact OD1-CD2 2.9Å; D266-H302 IonicContact OD1-CG 3.73Å; D266-H302 IonicContact OD2-CD2 3.25Å |
| 267 | I | 94.3 | Very high | 86.9 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 5% | 0.046 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 113.9 | 177.1 | -46.5 | -179.7 | 0 | 0 | 0 | 108.6 | I248 L256 L258 L297 T298 F299 | I248-I267 HydrophobicContact CB-CD1 4.48Å; I248-I267 HydrophobicContact CD1-CD1 4.15Å; I248-I267 HydrophobicContact CG1-CD1 3.99Å; I248-I267 HydrophobicContact CG2-CD1 3.86Å; L256-I267 HydrophobicContact CB-CB 3.81Å; L256-I267 HydrophobicContact CB-CD1 4.26Å; L256-I267 HydrophobicContact CB-CG1 4.37Å; L256-I267 HydrophobicContact CB-CG2 4.47Å; L256-I267 WeakPolarHBondContact O-CA 3.47Å; L256-I267 WeakPolarHBondContact O-CB 2.73Å; L256-I267 PolarHBondContact O-N 3.06Å; L258-I267 HydrophobicContact CB-CD1 3.89Å; L258-I267 HydrophobicContact CB-CG1 4.05Å; I267-L297 HydrophobicContact CG2-CB 3.86Å; I267-L297 HydrophobicContact CG2-CD1 4.19Å; I267-L297 HydrophobicContact CG2-CD2 3.79Å; I267-L297 HydrophobicContact CG2-CG 4.12Å; I267-T298 WeakPolarHBondContact CA-O 3.37Å; I267-F299 HydrophobicContact CB-CE1 4.48Å; I267-F299 HydrophobicContact CD1-CD1 4.38Å; I267-F299 HydrophobicContact CD1-CE1 3.71Å; I267-F299 HydrophobicContact CG1-CD1 3.79Å; I267-F299 HydrophobicContact CG1-CE1 3.62Å; I267-F299 HydrophobicContact CG2-CE1 4.24Å |
| 268 | H | 92.1 | Very high | 86.5 | Confident | 76 Ų | 76 | 71.3 Ų | 71.3 | 35% | 0.352 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 122.4 | 169.4 | -62.8 | -68.6 | 0 | 0 | 0 | 110.6 | L297 T298 R300 | H268-L297 WeakPolarHBondContact O-CA 3.33Å; H268-T298 PolarHBondContact N-O 2.65Å; H268-T298 PolarHBondContact O-N 2.91Å; H268-T298 PolarHBondContact O-OG1 2.64Å; H268-R300 PolarHBondContact CD2-NH1 2.88Å; H268-R300 PolarHBondContact NE2-NH1 2.98Å; H268-R300 VanDerWaalsContact NE2-NH1 3.12Å |
| 269 | K | 91.3 | Very high | 86.1 | Confident | 97 Ų | 97 | 74.1 Ų | 74.1 | 42% | 0.422 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 120 | 172.7 | -173.8 | 173.2 | 178.5 | 168.1 | 0 | 109.8 | E180 H182 L297 | E180-K269 IonicContact OE2-NZ 3.62Å; H182-K269 PolarHBondContact NE2-NZ 2.86Å; K269-L297 HydrophobicContact CB-CD2 3.87Å; K269-L297 HydrophobicContact CG-CD2 4.03Å |
| 270 | V | 90.9 | Very high | 85.8 | Confident | 70 Ų | 70 | 76.3 Ų | 76.3 | 42% | 0.424 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 118.9 | 177.8 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | I272 T295 K296 | V270-I272 PolarHBondContact O-N 3.18Å; V270-T295 CarbonylContact O-C 3.53Å; V270-K296 PolarHBondContact N-O 2.76Å; V270-K296 PolarHBondContact O-N 3.42Å |
| 271 | D | 89.5 | Confident | 85.5 | Confident | 108 Ų | 108 | 78.6 Ų | 78.6 | 58% | 0.578 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 126.7 | 177.9 | -65.6 | -21.1 | 0 | 0 | 0 | 110.1 | T295 | D271-T295 WeakPolarHBondContact OD1-CG2 3.2Å |
| 272 | I | 84.9 | Confident | 85.5 | Confident | 25 Ų | 25 | 85.2 Ų | 85.2 | 13% | 0.128 | 41% | 0.411 | C | S | . | . | trans | -112.3 | 98.2 | 179 | -57.2 | -172.4 | 0 | 0 | 0 | 107.8 | V270 D275 K294 K296 | V270-I272 PolarHBondContact O-N 3.18Å; I272-D275 HydrophobicContact CG2-CB 3.57Å; I272-D275 VanDerWaalsContact CG2-CG 3.44Å; I272-D275 VanDerWaalsContact CG2-OD2 3.24Å; I272-D275 WeakPolarHBondContact CG2-OD2 3.31Å; I272-K294 CarbonylContact C-O 3.45Å; I272-K294 PolarHBondContact N-O 3.26Å; I272-K294 VanDerWaalsContact O-O 3.11Å; I272-K296 HydrophobicContact CD1-CB 3.3Å; I272-K296 HydrophobicContact CD1-CD 3.58Å; I272-K296 HydrophobicContact CD1-CG 4.08Å; I272-K296 HydrophobicContact CG1-CB 3.85Å | ||
| 273 | Q | 75.4 | Confident | 85.2 | Confident | 168 Ų | 168 | 82.1 Ų | 82.1 | 79% | 0.785 | 39% | 0.392 | S | S | * | . | trans | -95.1 | -25.8 | 176 | -65.3 | -174.8 | -12.2 | 0 | 0 | 112.8 | ||||
| 274 | S | 68.1 | Low | 84.6 | Confident | 102 Ų | 102 | 84.4 Ų | 84.4 | 71% | 0.713 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -80.4 | -25.6 | -173.1 | -82.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 275 | D | 71.7 | Confident | 83.9 | Confident | 100 Ų | 100 | 86.7 Ų | 86.7 | 54% | 0.535 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -92.3 | -3.1 | -162.6 | -60.3 | -8.1 | 0 | 0 | 0 | 113.9 | I272 N277 | I272-D275 HydrophobicContact CG2-CB 3.57Å; I272-D275 VanDerWaalsContact CG2-CG 3.44Å; I272-D275 VanDerWaalsContact CG2-OD2 3.24Å; I272-D275 WeakPolarHBondContact CG2-OD2 3.31Å; D275-N277 VanDerWaalsContact CB-ND2 3.31Å; D275-N277 WeakPolarHBondContact CB-ND2 3.48Å; D275-N277 PolarHBondContact O-N 3.42Å; D275-N277 VanDerWaalsContact O-N 3.08Å |
| 276 | Y | 77.2 | Confident | 83.1 | Confident | 176 Ų | 176 | 87.1 Ų | 87.1 | 69% | 0.69 | 45% | 0.447 | S | S | * | . | trans | 39.2 | 51.3 | -176.1 | -63.7 | -75.5 | 0 | 0 | 0 | 112.9 | Y278 | Y276-Y278 WeakPolarHBondContact O-CD2 3.28Å; Y276-Y278 WeakPolarHBondContact O-CE2 3.41Å; Y276-Y278 PolarHBondContact O-N 3.3Å | ||
| 277 | N | 84.7 | Confident | 82.7 | Confident | 49 Ų | 49 | 90.2 Ų | 90.2 | 26% | 0.262 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 121.8 | -177.1 | -70.5 | -49.6 | 0 | 0 | 0 | 109.8 | D275 L293 | D275-N277 VanDerWaalsContact CB-ND2 3.31Å; D275-N277 WeakPolarHBondContact CB-ND2 3.48Å; D275-N277 PolarHBondContact O-N 3.42Å; D275-N277 VanDerWaalsContact O-N 3.08Å; N277-L293 HydrophobicContact CB-CB 3.94Å; N277-L293 HydrophobicContact CB-CD1 4.37Å; N277-L293 PolarHBondContact O-N 3.39Å |
| 278 | Y | 85.9 | Confident | 82.1 | Confident | 126 Ų | 126 | 91.5 Ų | 91.5 | 49% | 0.494 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 136.6 | 175.6 | -61.5 | -82.5 | 0 | 0 | 0 | 109.9 | Y276 F280 | Y276-Y278 WeakPolarHBondContact O-CD2 3.28Å; Y276-Y278 WeakPolarHBondContact O-CE2 3.41Å; Y276-Y278 PolarHBondContact O-N 3.3Å; Y278-F280 VanDerWaalsContact CB-CZ 3.44Å; Y278-F280 HydrophobicContact CD2-CZ 4.38Å; Y278-F280 HydrophobicContact CG-CE2 4.35Å; Y278-F280 HydrophobicContact CG-CZ 4.11Å; Y278-F280 WeakPolarHBondContact O-CD2 3.47Å |
| 279 | L | 85.5 | Confident | 81.6 | Confident | 61 Ų | 61 | 90.2 Ų | 90.2 | 32% | 0.319 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 122.3 | 170.8 | 178.6 | 63.2 | 0 | 0 | 0 | 108.5 | L177 Q290 S291 | L177-L279 HydrophobicContact CD1-CD2 3.87Å; L177-L279 HydrophobicContact CD2-CD2 4Å; L279-Q290 HydrophobicContact CB-CB 4.49Å; L279-Q290 HydrophobicContact CD2-CB 4.24Å; L279-Q290 HydrophobicContact CG-CB 4.21Å; L279-Q290 PolarHBondContact O-N 3.31Å; L279-S291 PolarHBondContact N-O 2.94Å |
| 280 | F | 85.8 | Confident | 81.1 | Confident | 96 Ų | 96 | 87.6 Ų | 87.6 | 42% | 0.421 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 143.6 | 174.9 | -59.4 | -84.4 | 0 | 0 | 0 | 111 | Y278 L287 Q288 | Y278-F280 VanDerWaalsContact CB-CZ 3.44Å; Y278-F280 HydrophobicContact CD2-CZ 4.38Å; Y278-F280 HydrophobicContact CG-CE2 4.35Å; Y278-F280 HydrophobicContact CG-CZ 4.11Å; Y278-F280 WeakPolarHBondContact O-CD2 3.47Å; F280-L287 HydrophobicContact CB-CD1 3.44Å; F280-L287 VanDerWaalsContact CB-CD1 3.44Å; F280-L287 HydrophobicContact CB-CD2 4.04Å; F280-L287 HydrophobicContact CB-CG 3.58Å; F280-L287 HydrophobicContact CD1-CD1 4.46Å; F280-L287 HydrophobicContact CD1-CD2 3.65Å; F280-L287 HydrophobicContact CD1-CG 3.62Å; F280-L287 HydrophobicContact CD2-CD2 4.01Å; F280-L287 HydrophobicContact CD2-CG 4.47Å; F280-L287 HydrophobicContact CE1-CD2 4.08Å; F280-L287 HydrophobicContact CE1-CG 4.45Å; F280-L287 HydrophobicContact CE2-CD2 4.33Å; F280-L287 HydrophobicContact CG-CD1 4.03Å; F280-L287 HydrophobicContact CG-CD2 3.64Å; F280-L287 HydrophobicContact CG-CG 3.66Å; F280-L287 HydrophobicContact CZ-CD2 4.4Å; F280-Q288 CarbonylContact C-O 3.46Å; F280-Q288 VanDerWaalsContact CA-O 3.23Å; F280-Q288 WeakPolarHBondContact CA-O 3.45Å |
| 281 | I | 84.7 | Confident | 80.7 | Confident | 52 Ų | 52 | 86.1 Ų | 86.1 | 27% | 0.267 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122 | 164.2 | -61.6 | 179.7 | 0 | 0 | 0 | 106.9 | I173 Q288 Q290 | I173-I281 HydrophobicContact CB-CD1 4.24Å; I173-I281 HydrophobicContact CD1-CG2 4.07Å; I173-I281 HydrophobicContact CG2-CD1 3.81Å; I281-Q288 PolarHBondContact N-O 3.49Å; I281-Q288 PolarHBondContact O-N 2.93Å; I281-Q290 HydrophobicContact CB-CG 4.5Å; I281-Q290 HydrophobicContact CD1-CG 3.77Å; I281-Q290 VanDerWaalsContact CD1-NE2 3.27Å; I281-Q290 HydrophobicContact CG1-CG 3.66Å |
| 282 | R | 84.3 | Confident | 80.5 | Confident | 206 Ų | 206 | 83.5 Ų | 83.5 | 78% | 0.777 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 116.8 | 174.5 | -176.8 | 179.4 | 178.9 | 176.3 | 0.9 | 108.5 | L287 | R282-L287 HydrophobicContact CB-CD1 4.09Å |
| 283 | E | 79.5 | Confident | 80.5 | Confident | 75 Ų | 75 | 83.4 Ų | 83.4 | 35% | 0.35 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 110.7 | 174.1 | -163.9 | -174.6 | 176.2 | 0 | 0 | 108.8 | F170 P171 S285 G286 | F170-E283 WeakPolarHBondContact CE1-O 3.37Å; P171-E283 WeakPolarHBondContact CD-OE2 3.35Å; P171-E283 WeakPolarHBondContact CG-OE1 3.06Å; P171-E283 WeakPolarHBondContact CG-OE2 3.31Å; E283-S285 PolarHBondContact O-N 3.12Å; E283-G286 PolarHBondContact N-O 3.18Å; E283-G286 VanDerWaalsContact N-O 3.12Å; E283-G286 PolarHBondContact O-N 3.04Å |
| 284 | G | 75.2 | Confident | 81 | Confident | 67 Ų | 67 | 82.4 Ų | 82.4 | 69% | 0.691 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | -119.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 285 | S | 76.2 | Confident | 82 | Confident | 110 Ų | 110 | 78.3 Ų | 78.3 | 77% | 0.769 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 0.7 | 176.7 | 60.6 | 0 | 0 | 0 | 0 | 113.9 | E283 | E283-S285 PolarHBondContact O-N 3.12Š|
| 286 | G | 75.7 | Confident | 82.9 | Confident | 10 Ų | 10 | 76.6 Ų | 76.6 | 10% | 0.103 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 150.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E283 | E283-G286 PolarHBondContact N-O 3.18Å; E283-G286 VanDerWaalsContact N-O 3.12Å; E283-G286 PolarHBondContact O-N 3.04Å |
| 287 | L | 84 | Confident | 83.6 | Confident | 111 Ų | 111 | 68.8 Ų | 68.8 | 58% | 0.581 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 111.9 | 168.9 | -165.3 | 70.9 | 0 | 0 | 0 | 108.5 | F280 R282 | F280-L287 HydrophobicContact CB-CD1 3.44Å; F280-L287 VanDerWaalsContact CB-CD1 3.44Å; F280-L287 HydrophobicContact CB-CD2 4.04Å; F280-L287 HydrophobicContact CB-CG 3.58Å; F280-L287 HydrophobicContact CD1-CD1 4.46Å; F280-L287 HydrophobicContact CD1-CD2 3.65Å; F280-L287 HydrophobicContact CD1-CG 3.62Å; F280-L287 HydrophobicContact CD2-CD2 4.01Å; F280-L287 HydrophobicContact CD2-CG 4.47Å; F280-L287 HydrophobicContact CE1-CD2 4.08Å; F280-L287 HydrophobicContact CE1-CG 4.45Å; F280-L287 HydrophobicContact CE2-CD2 4.33Å; F280-L287 HydrophobicContact CG-CD1 4.03Å; F280-L287 HydrophobicContact CG-CD2 3.64Å; F280-L287 HydrophobicContact CG-CG 3.66Å; F280-L287 HydrophobicContact CZ-CD2 4.4Å; R282-L287 HydrophobicContact CB-CD1 4.09Å |
| 288 | Q | 80.6 | Confident | 84 | Confident | 36 Ų | 36 | 68.3 Ų | 68.3 | 17% | 0.168 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 114.9 | 179.2 | -171.7 | -172.3 | -16.6 | 0 | 0 | 109.9 | I173 F280 I281 Q290 | I173-Q288 PolarHBondContact O-NE2 2.94Å; I173-Q288 VanDerWaalsContact O-NE2 3.12Å; F280-Q288 CarbonylContact C-O 3.46Å; F280-Q288 VanDerWaalsContact CA-O 3.23Å; F280-Q288 WeakPolarHBondContact CA-O 3.45Å; I281-Q288 PolarHBondContact N-O 3.49Å; I281-Q288 PolarHBondContact O-N 2.93Å; Q288-Q290 VanDerWaalsContact NE2-NE2 3.2Å; Q288-Q290 PolarHBondContact O-N 2.87Å |
| 289 | G | 82 | Confident | 84.2 | Confident | 50 Ų | 50 | 63.1 Ų | 63.1 | 52% | 0.515 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 122 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 290 | Q | 81.8 | Confident | 84.4 | Confident | 42 Ų | 42 | 66.9 Ų | 66.9 | 20% | 0.196 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -51.1 | -179.7 | -67.8 | -66.8 | -25 | 0 | 0 | 112.1 | I173 L177 L279 I281 Q288 | I173-Q290 PolarHBondContact O-NE2 3.07Å; I173-Q290 PolarHBondContact O-OE1 3.22Å; L177-Q290 HydrophobicContact CD1-CB 3.84Å; L279-Q290 HydrophobicContact CB-CB 4.49Å; L279-Q290 HydrophobicContact CD2-CB 4.24Å; L279-Q290 HydrophobicContact CG-CB 4.21Å; L279-Q290 PolarHBondContact O-N 3.31Å; I281-Q290 HydrophobicContact CB-CG 4.5Å; I281-Q290 HydrophobicContact CD1-CG 3.77Å; I281-Q290 VanDerWaalsContact CD1-NE2 3.27Å; I281-Q290 HydrophobicContact CG1-CG 3.66Å; Q288-Q290 VanDerWaalsContact NE2-NE2 3.2Å; Q288-Q290 PolarHBondContact O-N 2.87Å |
| 291 | S | 82.3 | Confident | 84.5 | Confident | 39 Ų | 39 | 64 Ų | 64 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 159.8 | -176.2 | -172.6 | 0 | 0 | 0 | 0 | 112 | L279 | L279-S291 PolarHBondContact N-O 2.94Å |
| 292 | S | 85.4 | Confident | 84.6 | Confident | 53 Ų | 53 | 66.5 Ų | 66.5 | 37% | 0.371 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 132.7 | 170.4 | 53.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 293 | L | 84.5 | Confident | 84.5 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 12% | 0.12 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 108 | 179.5 | -59.9 | 171.5 | 0 | 0 | 0 | 108.6 | V181 L183 N277 | V181-L293 HydrophobicContact CB-CD2 3.97Å; V181-L293 HydrophobicContact CG1-CD2 3.37Å; L183-L293 HydrophobicContact CB-CB 4.46Å; L183-L293 HydrophobicContact CB-CD1 4.19Å; L183-L293 HydrophobicContact CD1-CD1 4.09Å; N277-L293 HydrophobicContact CB-CB 3.94Å; N277-L293 HydrophobicContact CB-CD1 4.37Å; N277-L293 PolarHBondContact O-N 3.39Å |
| 294 | K | 86.2 | Confident | 84.5 | Confident | 146 Ų | 146 | 60.4 Ų | 60.4 | 64% | 0.635 | 35% | 0.352 | S | S | * | . | trans | -92.5 | -21.6 | -178.3 | -63.2 | 179.7 | -178.7 | 177.4 | 0 | 113.4 | I272 | I272-K294 CarbonylContact C-O 3.45Å; I272-K294 PolarHBondContact N-O 3.26Å; I272-K294 VanDerWaalsContact O-O 3.11Å | ||
| 295 | T | 89.3 | Confident | 84.8 | Confident | 16 Ų | 16 | 62.3 Ų | 62.3 | 10% | 0.098 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 144.9 | -167.9 | 62.5 | 0 | 0 | 0 | 0 | 109.8 | H182 L183 V270 D271 | H182-T295 PolarHBondContact CD2-OG1 3.45Å; H182-T295 PolarHBondContact NE2-OG1 2.83Å; L183-T295 PolarHBondContact N-O 3.3Å; V270-T295 CarbonylContact O-C 3.53Å; D271-T295 WeakPolarHBondContact OD1-CG2 3.2Å |
| 296 | K | 90.8 | Very high | 85 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 28% | 0.278 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.6 | 176.2 | 175.8 | 178.1 | 178.4 | -179.2 | 0 | 110.4 | L183 V270 I272 T298 | L183-K296 HydrophobicContact CB-CB 4.32Å; L183-K296 HydrophobicContact CD2-CD 4.5Å; L183-K296 CarbonylContact O-C 3.47Å; L183-K296 WeakPolarHBondContact O-CA 3.32Å; L183-K296 WeakPolarHBondContact O-CG 3.42Å; V270-K296 PolarHBondContact N-O 2.76Å; V270-K296 PolarHBondContact O-N 3.42Å; I272-K296 HydrophobicContact CD1-CB 3.3Å; I272-K296 HydrophobicContact CD1-CD 3.58Å; I272-K296 HydrophobicContact CD1-CG 4.08Å; I272-K296 HydrophobicContact CG1-CB 3.85Å; K296-T298 HydrophobicContact CG-CG2 4.49Å |
| 297 | L | 91.7 | Very high | 85.2 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 136.2 | 174.7 | -58.8 | 177 | 0 | 0 | 0 | 109.3 | H182 L183 V184 I267 H268 K269 | H182-L297 HydrophobicContact CB-CD1 3.63Å; H182-L297 HydrophobicContact CB-CG 3.81Å; L183-L297 PolarHBondContact O-N 2.77Å; V184-L297 HydrophobicContact CG2-CB 3.97Å; V184-L297 HydrophobicContact CG2-CD1 4.18Å; I267-L297 HydrophobicContact CG2-CB 3.86Å; I267-L297 HydrophobicContact CG2-CD1 4.19Å; I267-L297 HydrophobicContact CG2-CD2 3.79Å; I267-L297 HydrophobicContact CG2-CG 4.12Å; H268-L297 WeakPolarHBondContact O-CA 3.33Å; K269-L297 HydrophobicContact CB-CD2 3.87Å; K269-L297 HydrophobicContact CG-CD2 4.03Å |
| 298 | T | 92 | Very high | 85.1 | Confident | 39 Ų | 39 | 54.9 Ų | 54.9 | 24% | 0.239 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 134.9 | 172.7 | 59.5 | 0 | 0 | 0 | 0 | 109 | I267 H268 K296 | I267-T298 WeakPolarHBondContact CA-O 3.37Å; H268-T298 PolarHBondContact N-O 2.65Å; H268-T298 PolarHBondContact O-N 2.91Å; H268-T298 PolarHBondContact O-OG1 2.64Å; K296-T298 HydrophobicContact CG-CG2 4.49Å |
| 299 | F | 91.3 | Very high | 85.3 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 135.7 | -178.3 | -59.6 | -89.3 | 0 | 0 | 0 | 109.8 | V184 P187 L190 L258 D266 I267 | V184-F299 HydrophobicContact CB-CE2 4.37Å; V184-F299 HydrophobicContact CG1-CD2 4.35Å; V184-F299 HydrophobicContact CG1-CE2 3.51Å; V184-F299 HydrophobicContact CG1-CZ 4.36Å; V184-F299 HydrophobicContact CG2-CE2 4.01Å; V184-F299 HydrophobicContact CG2-CZ 4.25Å; P187-F299 HydrophobicContact CG-CB 4.21Å; L190-F299 HydrophobicContact CD2-CD1 4.42Å; L190-F299 HydrophobicContact CD2-CD2 4.24Å; L190-F299 HydrophobicContact CD2-CG 4.14Å; L258-F299 HydrophobicContact CB-CD1 4.1Å; L258-F299 HydrophobicContact CB-CE1 3.95Å; L258-F299 HydrophobicContact CD2-CD1 3.86Å; L258-F299 HydrophobicContact CD2-CE1 3.7Å; L258-F299 HydrophobicContact CG-CE1 4.31Å; D266-F299 CarbonylContact O-C 3.55Å; D266-F299 WeakPolarHBondContact O-CA 3.47Å; I267-F299 HydrophobicContact CB-CE1 4.48Å; I267-F299 HydrophobicContact CD1-CD1 4.38Å; I267-F299 HydrophobicContact CD1-CE1 3.71Å; I267-F299 HydrophobicContact CG1-CD1 3.79Å; I267-F299 HydrophobicContact CG1-CE1 3.62Å; I267-F299 HydrophobicContact CG2-CE1 4.24Å |
| 300 | R | 89.1 | Confident | 85.3 | Confident | 140 Ų | 140 | 60.4 Ų | 60.4 | 53% | 0.528 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 146.9 | 174.3 | -65.1 | -171.3 | -179.1 | 154.8 | -8.8 | 109.6 | F265 D266 H268 H302 | F265-R300 CarbonylContact C-O 3.58Å; F265-R300 VanDerWaalsContact CA-O 3.28Å; F265-R300 WeakPolarHBondContact CA-O 3.45Å; F265-R300 WeakPolarHBondContact CB-O 3.3Å; D266-R300 PolarHBondContact N-O 3.34Å; D266-R300 PolarHBondContact O-N 2.79Å; H268-R300 PolarHBondContact CD2-NH1 2.88Å; H268-R300 PolarHBondContact NE2-NH1 2.98Å; H268-R300 VanDerWaalsContact NE2-NH1 3.12Å; R300-H302 PolarHBondContact O-N 3.45Å |
| 301 | P | 88.4 | Confident | 85.2 | Confident | 34 Ų | 34 | 59 Ų | 59 | 22% | 0.221 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 131.5 | 171.6 | 26.3 | -32.5 | 0 | 0 | 0 | 109.7 | S303 H309 | P301-S303 VanDerWaalsContact C-N 3.33Å; P301-S303 PolarHBondContact O-N 3.26Å; P301-H309 HydrophobicContact CB-CB 3.99Å; P301-H309 HydrophobicContact CG-CB 4.13Å |
| 302 | H | 86.5 | Confident | 85.2 | Confident | 105 Ų | 105 | 59.8 Ų | 59.8 | 49% | 0.486 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -64.3 | -36.9 | -175.4 | 174.2 | -72.2 | 0 | 0 | 0 | 112.3 | I264 D266 R300 | I264-H302 HydrophobicContact CG2-CB 4.28Å; I264-H302 WeakPolarHBondContact O-CB 3.44Å; I264-H302 PolarHBondContact O-N 3.42Å; D266-H302 IonicContact OD1-CD2 3.58Å; D266-H302 PolarHBondContact OD1-CD2 2.9Å; D266-H302 IonicContact OD1-CG 3.73Å; D266-H302 IonicContact OD2-CD2 3.25Å; R300-H302 PolarHBondContact O-N 3.45Å |
| 303 | S | 82.8 | Confident | 85.1 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 30% | 0.301 | 30% | 0.296 | S | S | . | . | trans | -138.7 | 158 | -173.1 | -67.6 | 0 | 0 | 0 | 0 | 112.8 | P301 D305 S306 H309 | P301-S303 VanDerWaalsContact C-N 3.33Å; P301-S303 PolarHBondContact O-N 3.26Å; S303-D305 VanDerWaalsContact C-N 3.25Å; S303-D305 WeakPolarHBondContact CB-OD1 3.46Å; S303-D305 PolarHBondContact O-N 3.17Å; S303-S306 WeakPolarHBondContact O-CB 3.49Å; S303-S306 PolarHBondContact O-N 3.49Å; S303-S306 PolarHBondContact O-OG 2.86Å; S303-H309 VanDerWaalsContact O-CB 3.26Å; S303-H309 WeakPolarHBondContact O-CB 3.3Å | ||
| 304 | T | 79.1 | Confident | 84.8 | Confident | 110 Ų | 110 | 64 Ų | 64 | 68% | 0.675 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -16.3 | 176.4 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | H309 | T304-H309 WeakPolarHBondContact CA-CD2 2.83Å; T304-H309 PolarHBondContact O-CD2 3.45Å; T304-H309 VanDerWaalsContact O-CD2 3.29Å |
| 305 | D | 80.8 | Confident | 84.3 | Confident | 108 Ų | 108 | 58.2 Ų | 58.2 | 58% | 0.578 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -23.1 | 175.6 | 62.5 | -6 | 0 | 0 | 0 | 113.1 | S303 R310 | S303-D305 VanDerWaalsContact C-N 3.25Å; S303-D305 WeakPolarHBondContact CB-OD1 3.46Å; S303-D305 PolarHBondContact O-N 3.17Å; D305-R310 PolarHBondContact O-NH2 3.32Å |
| 306 | S | 80.7 | Confident | 83.7 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -50.3 | 140.5 | 180 | 65.6 | 0 | 0 | 0 | 0 | 111.1 | E263 S303 T308 H309 R310 | E263-S306 WeakPolarHBondContact OE2-CB 3.5Å; S303-S306 WeakPolarHBondContact O-CB 3.49Å; S303-S306 PolarHBondContact O-N 3.49Å; S303-S306 PolarHBondContact O-OG 2.86Å; S306-T308 PolarHBondContact O-N 2.67Å; S306-T308 PolarHBondContact OG-OG1 3.37Å; S306-H309 PolarHBondContact O-N 3.43Å; S306-H309 VanDerWaalsContact O-N 3.17Å; S306-H309 WeakPolarHBondContact OG-CB 3.2Å; S306-H309 PolarHBondContact OG-N 2.87Å; S306-H309 VanDerWaalsContact OG-N 3.15Å; S306-R310 PolarHBondContact O-N 2.88Å |
| 307 | F | 79.3 | Confident | 83.2 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 27% | 0.272 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.2 | -38.3 | -178 | -179.1 | -106 | 0 | 0 | 0 | 110.1 | K221 E225 E263 K311 | K221-F307 HydrophobicContact CD-CE1 3.96Å; K221-F307 HydrophobicContact CD-CZ 3.52Å; K221-F307 HydrophobicContact CG-CE1 3.99Å; K221-F307 HydrophobicContact CG-CZ 4.06Å; K221-F307 VanDerWaalsContact NZ-CZ 3.29Å; E225-F307 WeakPolarHBondContact OE2-CD1 3.21Å; E225-F307 WeakPolarHBondContact OE2-CE1 2.77Å; E263-F307 WeakPolarHBondContact OE1-CB 3.32Å; E263-F307 PolarHBondContact OE1-N 3.43Å; F307-K311 HydrophobicContact CD1-CD 4.28Å; F307-K311 HydrophobicContact CE1-CD 3.49Å; F307-K311 VanDerWaalsContact CE1-CD 3.49Å; F307-K311 HydrophobicContact CE2-CD 4.47Å; F307-K311 HydrophobicContact CZ-CD 3.58Å; F307-K311 WeakPolarHBondContact O-CB 2.97Å; F307-K311 PolarHBondContact O-N 2.89Å |
| 308 | T | 82.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 178.1 | 62.4 | 0 | 0 | 0 | 0 | 113 | L222 N226 E263 F265 S306 K311 I312 | L222-T308 HydrophobicContact CD2-CG2 4.17Å; N226-T308 WeakPolarHBondContact ND2-CG2 3.09Å; E263-T308 HydrophobicContact CG-CG2 4.19Å; E263-T308 PolarHBondContact OE2-OG1 3.05Å; F265-T308 HydrophobicContact CE1-CG2 3.84Å; F265-T308 HydrophobicContact CZ-CG2 3.8Å; S306-T308 PolarHBondContact O-N 2.67Å; S306-T308 PolarHBondContact OG-OG1 3.37Å; T308-K311 PolarHBondContact O-N 3.24Å; T308-I312 WeakPolarHBondContact O-CB 3.48Å; T308-I312 WeakPolarHBondContact O-CD1 3.18Å; T308-I312 WeakPolarHBondContact O-CG1 3.4Å; T308-I312 PolarHBondContact O-N 3.26Å |
| 309 | H | 84.2 | Confident | 81.5 | Confident | 57 Ų | 57 | 67.8 Ų | 67.8 | 26% | 0.264 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.6 | -50 | 177.3 | -178.9 | 87.2 | 0 | 0 | 0 | 111.4 | P301 S303 T304 S306 K311 I312 T313 | P301-H309 HydrophobicContact CB-CB 3.99Å; P301-H309 HydrophobicContact CG-CB 4.13Å; S303-H309 VanDerWaalsContact O-CB 3.26Å; S303-H309 WeakPolarHBondContact O-CB 3.3Å; T304-H309 WeakPolarHBondContact CA-CD2 2.83Å; T304-H309 PolarHBondContact O-CD2 3.45Å; T304-H309 VanDerWaalsContact O-CD2 3.29Å; S306-H309 PolarHBondContact O-N 3.43Å; S306-H309 VanDerWaalsContact O-N 3.17Å; S306-H309 WeakPolarHBondContact OG-CB 3.2Å; S306-H309 PolarHBondContact OG-N 2.87Å; S306-H309 VanDerWaalsContact OG-N 3.15Å; H309-K311 PolarHBondContact O-N 3.37Å; H309-I312 PolarHBondContact O-N 3Å; H309-T313 PolarHBondContact NE2-OG1 3.12Å; H309-T313 VanDerWaalsContact O-CB 3.3Å; H309-T313 WeakPolarHBondContact O-CB 3.41Å; H309-T313 PolarHBondContact O-N 3.22Å; H309-T313 PolarHBondContact O-OG1 2.96Å |
| 310 | R | 83.5 | Confident | 80.5 | Confident | 146 Ų | 146 | 70.1 Ų | 70.1 | 55% | 0.551 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -55.3 | -43.8 | -179.7 | -170.9 | -178.8 | -54.7 | 173.8 | 9.3 | 110.6 | D305 S306 T313 L314 | D305-R310 PolarHBondContact O-NH2 3.32Å; S306-R310 PolarHBondContact O-N 2.88Å; R310-T313 PolarHBondContact O-N 3Å; R310-L314 HydrophobicContact CG-CD1 4.14Å; R310-L314 WeakPolarHBondContact O-CB 3.16Å; R310-L314 WeakPolarHBondContact O-CG 3.08Å; R310-L314 PolarHBondContact O-N 2.52Å |
| 311 | K | 79.4 | Confident | 79.4 | Confident | 11 Ų | 11 | 69.5 Ų | 69.5 | 5% | 0.048 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -73.4 | -40.1 | -176.4 | -169.1 | 163.2 | 178.4 | -165.3 | 0 | 113.9 | T218 K221 L222 F307 T308 H309 T313 L314 S315 | T218-K311 HydrophobicContact CG2-CG 4.45Å; T218-K311 WeakPolarHBondContact O-CE 3.4Å; T218-K311 PolarHBondContact O-NZ 3.06Å; K221-K311 VanDerWaalsContact C-NZ 3.3Å; K221-K311 VanDerWaalsContact CG-NZ 3.34Å; L222-K311 HydrophobicContact CD1-CD 4.14Å; L222-K311 HydrophobicContact CD1-CG 4.12Å; L222-K311 HydrophobicContact CD2-CD 3.83Å; L222-K311 HydrophobicContact CD2-CG 4.41Å; L222-K311 HydrophobicContact CG-CD 3.69Å; L222-K311 HydrophobicContact CG-CG 4.22Å; F307-K311 HydrophobicContact CD1-CD 4.28Å; F307-K311 HydrophobicContact CE1-CD 3.49Å; F307-K311 VanDerWaalsContact CE1-CD 3.49Å; F307-K311 HydrophobicContact CE2-CD 4.47Å; F307-K311 HydrophobicContact CZ-CD 3.58Å; F307-K311 WeakPolarHBondContact O-CB 2.97Å; F307-K311 PolarHBondContact O-N 2.89Å; T308-K311 PolarHBondContact O-N 3.24Å; H309-K311 PolarHBondContact O-N 3.37Å; K311-T313 VanDerWaalsContact C-N 3.32Å; K311-L314 PolarHBondContact O-N 3.14Å; K311-S315 WeakPolarHBondContact O-CB 3.34Å; K311-S315 PolarHBondContact O-N 3.15Å |
| 312 | I | 82 | Confident | 78.2 | Confident | 56 Ų | 56 | 75.2 Ų | 75.2 | 29% | 0.287 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 172.5 | -67.8 | 163.3 | 0 | 0 | 0 | 109.7 | F189 T308 H309 S315 L316 | F189-I312 HydrophobicContact CB-CD1 3.85Å; F189-I312 HydrophobicContact CB-CG1 4.35Å; F189-I312 HydrophobicContact CD1-CD1 3.46Å; F189-I312 VanDerWaalsContact CD1-CD1 3.46Å; F189-I312 HydrophobicContact CE1-CD1 4.12Å; F189-I312 HydrophobicContact CG-CD1 3.72Å; T308-I312 WeakPolarHBondContact O-CB 3.48Å; T308-I312 WeakPolarHBondContact O-CD1 3.18Å; T308-I312 WeakPolarHBondContact O-CG1 3.4Å; T308-I312 PolarHBondContact O-N 3.26Å; H309-I312 PolarHBondContact O-N 3Å; I312-S315 PolarHBondContact O-N 3.17Å; I312-L316 WeakPolarHBondContact O-CB 3.41Å; I312-L316 PolarHBondContact O-N 3.29Å |
| 313 | T | 83.2 | Confident | 77 | Confident | 67 Ų | 67 | 77.5 Ų | 77.5 | 41% | 0.411 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 178.3 | -63.3 | 0 | 0 | 0 | 0 | 111.7 | H309 R310 K311 L316 A317 | H309-T313 PolarHBondContact NE2-OG1 3.12Å; H309-T313 VanDerWaalsContact O-CB 3.3Å; H309-T313 WeakPolarHBondContact O-CB 3.41Å; H309-T313 PolarHBondContact O-N 3.22Å; H309-T313 PolarHBondContact O-OG1 2.96Å; R310-T313 PolarHBondContact O-N 3Å; K311-T313 VanDerWaalsContact C-N 3.32Å; T313-L316 PolarHBondContact O-N 3.19Å; T313-A317 WeakPolarHBondContact O-CB 3.09Å; T313-A317 PolarHBondContact O-N 2.95Å |
| 314 | L | 78.8 | Confident | 75.9 | Confident | 99 Ų | 99 | 82.6 Ų | 82.6 | 52% | 0.518 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.7 | -49.7 | 173.3 | -73.8 | 169.4 | 0 | 0 | 0 | 111.7 | R310 K311 L316 A317 D318 | R310-L314 HydrophobicContact CG-CD1 4.14Å; R310-L314 WeakPolarHBondContact O-CB 3.16Å; R310-L314 WeakPolarHBondContact O-CG 3.08Å; R310-L314 PolarHBondContact O-N 2.52Å; K311-L314 PolarHBondContact O-N 3.14Å; L314-L316 VanDerWaalsContact C-N 3.28Å; L314-L316 PolarHBondContact O-N 3.25Å; L314-A317 WeakPolarHBondContact O-CB 3.37Å; L314-A317 PolarHBondContact O-N 3.47Å; L314-A317 VanDerWaalsContact O-N 3.12Å; L314-D318 PolarHBondContact O-N 2.87Å |
| 315 | S | 74 | Confident | 74.9 | Confident | 24 Ų | 24 | 85.9 Ų | 85.9 | 17% | 0.168 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.7 | -36 | 177.5 | -179.1 | 0 | 0 | 0 | 0 | 112.4 | K311 I312 K319 | K311-S315 WeakPolarHBondContact O-CB 3.34Å; K311-S315 PolarHBondContact O-N 3.15Å; I312-S315 PolarHBondContact O-N 3.17Å; S315-K319 VanDerWaalsContact O-CG 3.31Å; S315-K319 WeakPolarHBondContact O-CG 3.26Å; S315-K319 PolarHBondContact O-N 3.42Å |
| 316 | L | 77.4 | Confident | 73.9 | Confident | 107 Ų | 107 | 86.2 Ų | 86.2 | 56% | 0.56 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -69.4 | -41.1 | 175.1 | -172.5 | 64.2 | 0 | 0 | 0 | 111.4 | I312 T313 L314 D318 K319 T320 | I312-L316 WeakPolarHBondContact O-CB 3.41Å; I312-L316 PolarHBondContact O-N 3.29Å; T313-L316 PolarHBondContact O-N 3.19Å; L314-L316 VanDerWaalsContact C-N 3.28Å; L314-L316 PolarHBondContact O-N 3.25Å; L316-D318 VanDerWaalsContact C-N 3.33Å; L316-D318 PolarHBondContact O-N 3.01Å; L316-K319 PolarHBondContact O-N 3.45Å; L316-T320 HydrophobicContact CD1-CG2 4.39Å; L316-T320 HydrophobicContact CG-CG2 4.39Å; L316-T320 VanDerWaalsContact O-CG2 3.28Å; L316-T320 WeakPolarHBondContact O-CG2 3.39Å; L316-T320 PolarHBondContact O-N 3.43Å; L316-T320 PolarHBondContact O-OG1 2.97Å |
| 317 | A | 79.8 | Confident | 72.8 | Confident | 48 Ų | 48 | 94 Ų | 94 | 40% | 0.397 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T313 L314 K319 T320 N321 | T313-A317 WeakPolarHBondContact O-CB 3.09Å; T313-A317 PolarHBondContact O-N 2.95Å; L314-A317 WeakPolarHBondContact O-CB 3.37Å; L314-A317 PolarHBondContact O-N 3.47Å; L314-A317 VanDerWaalsContact O-N 3.12Å; A317-K319 VanDerWaalsContact C-N 3.33Å; A317-K319 PolarHBondContact O-N 3.27Å; A317-T320 PolarHBondContact O-N 2.96Å; A317-T320 PolarHBondContact O-OG1 3.08Å; A317-N321 VanDerWaalsContact O-CB 3.3Å; A317-N321 WeakPolarHBondContact O-CB 3.21Å; A317-N321 PolarHBondContact O-N 3.05Å |
| 318 | D | 73.8 | Confident | 71.8 | Confident | 81 Ų | 81 | 97.8 Ų | 97.8 | 43% | 0.433 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -36.3 | 178.1 | -66.6 | -30.2 | 0 | 0 | 0 | 112.5 | L314 L316 K322 | L314-D318 PolarHBondContact O-N 2.87Å; L316-D318 VanDerWaalsContact C-N 3.33Å; L316-D318 PolarHBondContact O-N 3.01Å; D318-K322 WeakPolarHBondContact O-CG 2.99Å; D318-K322 PolarHBondContact O-N 3.24Å |
| 319 | K | 74.9 | Confident | 70.4 | Confident | 95 Ų | 95 | 103.7 Ų | 103.7 | 41% | 0.413 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.7 | -44 | 176.3 | -74.6 | 172 | -175.6 | 170.4 | 0 | 112.5 | E215 S315 L316 A317 N321 K322 L323 | E215-K319 WeakPolarHBondContact OE1-CE 3.32Å; E215-K319 IonicContact OE1-NZ 3.86Å; E215-K319 PolarHBondContact OE1-NZ 3.42Å; S315-K319 VanDerWaalsContact O-CG 3.31Å; S315-K319 WeakPolarHBondContact O-CG 3.26Å; S315-K319 PolarHBondContact O-N 3.42Å; L316-K319 PolarHBondContact O-N 3.45Å; A317-K319 VanDerWaalsContact C-N 3.33Å; A317-K319 PolarHBondContact O-N 3.27Å; K319-N321 VanDerWaalsContact C-N 3.33Å; K319-K322 PolarHBondContact O-N 2.78Å; K319-L323 PolarHBondContact O-N 2.82Å |
| 320 | T | 70.6 | Confident | 68.9 | Low | 67 Ų | 67 | 105 Ų | 105 | 41% | 0.411 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.6 | -34.9 | -179 | 58.3 | 0 | 0 | 0 | 0 | 111.2 | L316 A317 K322 L323 Q324 | L316-T320 HydrophobicContact CD1-CG2 4.39Å; L316-T320 HydrophobicContact CG-CG2 4.39Å; L316-T320 VanDerWaalsContact O-CG2 3.28Å; L316-T320 WeakPolarHBondContact O-CG2 3.39Å; L316-T320 PolarHBondContact O-N 3.43Å; L316-T320 PolarHBondContact O-OG1 2.97Å; A317-T320 PolarHBondContact O-N 2.96Å; A317-T320 PolarHBondContact O-OG1 3.08Å; T320-K322 VanDerWaalsContact C-N 3.3Å; T320-K322 PolarHBondContact O-N 2.95Å; T320-L323 PolarHBondContact O-N 2.87Å; T320-Q324 PolarHBondContact O-N 2.99Å; T320-Q324 VanDerWaalsContact O-N 3.11Å |
| 321 | N | 66 | Low | 67.3 | Low | 128 Ų | 128 | 104.7 Ų | 104.7 | 68% | 0.684 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.8 | -32.1 | 177.4 | -143.4 | 0.3 | 0 | 0 | 0 | 112.3 | A317 K319 | A317-N321 VanDerWaalsContact O-CB 3.3Å; A317-N321 WeakPolarHBondContact O-CB 3.21Å; A317-N321 PolarHBondContact O-N 3.05Å; K319-N321 VanDerWaalsContact C-N 3.33Å |
| 322 | K | 62.3 | Low | 65.6 | Low | 154 Ų | 154 | 109.3 Ų | 109.3 | 67% | 0.67 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -74.8 | -27.3 | 176.8 | -73.7 | 175.7 | -174.9 | 174.6 | 0 | 113.7 | D318 K319 T320 | D318-K322 WeakPolarHBondContact O-CG 2.99Å; D318-K322 PolarHBondContact O-N 3.24Å; K319-K322 PolarHBondContact O-N 2.78Å; T320-K322 VanDerWaalsContact C-N 3.3Å; T320-K322 PolarHBondContact O-N 2.95Å |
| 323 | L | 61.9 | Low | 63.9 | Low | 153 Ų | 153 | 109.3 Ų | 109.3 | 80% | 0.801 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -93.9 | -21.6 | -176.8 | -71.8 | 164.3 | 0 | 0 | 0 | 113.5 | K319 T320 K325 | K319-L323 PolarHBondContact O-N 2.82Å; T320-L323 PolarHBondContact O-N 2.87Å; L323-K325 VanDerWaalsContact C-N 3.27Å; L323-K325 PolarHBondContact O-N 3.09Å |
| 324 | Q | 60.2 | Low | 62.4 | Low | 150 Ų | 150 | 109.2 Ų | 109.2 | 70% | 0.701 | 60% | 0.597 | S | S | * | * | trans | -90.8 | 47.6 | 174.3 | -66.9 | -173.5 | -16.2 | 0 | 0 | 112.6 | T320 V326 | T320-Q324 PolarHBondContact O-N 2.99Å; T320-Q324 VanDerWaalsContact O-N 3.11Å; Q324-V326 PolarHBondContact O-N 3.36Å | ||
| 325 | K | 57.6 | Low | 61.1 | Low | 179 Ų | 179 | 109.9 Ų | 109.9 | 78% | 0.778 | 60% | 0.601 | S | S | * | * | trans | -73.8 | 65.7 | 152.6 | -75.2 | -176.8 | 179.8 | 175.1 | 0 | 108.7 | L323 K327 | L323-K325 VanDerWaalsContact C-N 3.27Å; L323-K325 PolarHBondContact O-N 3.09Å; K325-K327 PolarHBondContact O-N 2.84Å | ||
| 326 | V | 58.8 | Low | 60.4 | Low | 115 Ų | 115 | 113.7 Ų | 113.7 | 70% | 0.697 | 63% | 0.625 | S | S | * | * | trans | -62.6 | 102.6 | 146.2 | 178.6 | 0 | 0 | 0 | 0 | 103.3 | Q324 I328 | Q324-V326 PolarHBondContact O-N 3.36Å; V326-I328 HydrophobicContact CG1-CG1 4.1Å; V326-I328 PolarHBondContact O-N 3.4Å | ||
| 327 | K | 58.1 | Low | 59.6 | Low | 174 Ų | 174 | 115.7 Ų | 115.7 | 76% | 0.757 | 63% | 0.632 | S | S | * | * | trans | -61.2 | 88.1 | 163.3 | -73.6 | -179.1 | 177.9 | 177.3 | 0 | 105.4 | K325 L329 | K325-K327 PolarHBondContact O-N 2.84Å; K327-L329 HydrophobicContact CB-CD1 4.17Å; K327-L329 PolarHBondContact O-N 3.45Å | ||
| 328 | I | 58.2 | Low | 58.7 | Low | 143 Ų | 143 | 116.4 Ų | 116.4 | 73% | 0.733 | 63% | 0.634 | S | S | * | * | trans | -64.9 | 89.1 | 151 | -55.5 | 175 | 0 | 0 | 0 | 101.6 | V326 P330 | V326-I328 HydrophobicContact CG1-CG1 4.1Å; V326-I328 PolarHBondContact O-N 3.4Å; I328-P330 WeakPolarHBondContact O-CD 3.32Å | ||
| 329 | L | 54 | Low | 58.1 | Low | 123 Ų | 123 | 116.5 Ų | 116.5 | 64% | 0.644 | 64% | 0.635 | S | S | * | * | trans | -47.1 | 120.4 | 157.9 | -97.2 | 79.9 | 0 | 0 | 0 | 102.8 | K327 V331 | K327-L329 HydrophobicContact CB-CD1 4.17Å; K327-L329 PolarHBondContact O-N 3.45Å; L329-V331 PolarHBondContact O-N 3.4Å | ||
| 330 | P | 52.9 | Low | 57.4 | Low | 86 Ų | 86 | 120.1 Ų | 120.1 | 56% | 0.558 | 65% | 0.646 | S | S | * | * | trans | -49.5 | 144 | 163.5 | 24.6 | -31.5 | 0 | 0 | 0 | 104.9 | I328 T332 | I328-P330 WeakPolarHBondContact O-CD 3.32Å; P330-T332 HydrophobicContact CB-CG2 3.91Å; P330-T332 HydrophobicContact CG-CG2 3.54Å; P330-T332 PolarHBondContact O-N 3.43Å; P330-T332 PolarHBondContact O-OG1 3.45Å | ||
| 331 | V | 48.7 | Very low | 57.3 | Low | 139 Ų | 139 | 122.1 Ų | 122.1 | 84% | 0.842 | 65% | 0.654 | S | S | * | * | trans | -56.3 | 79.8 | 166.7 | 179.2 | 0 | 0 | 0 | 0 | 106.6 | L329 | L329-V331 PolarHBondContact O-N 3.4Š| ||
| 332 | T | 44.8 | Very low | 57.5 | Low | 108 Ų | 108 | 120.1 Ų | 120.1 | 66% | 0.663 | 65% | 0.646 | S | S | * | * | trans | -113 | 96.8 | -177.8 | 40.9 | 0 | 0 | 0 | 0 | 105.1 | P330 | P330-T332 HydrophobicContact CB-CG2 3.91Å; P330-T332 HydrophobicContact CG-CG2 3.54Å; P330-T332 PolarHBondContact O-N 3.43Å; P330-T332 PolarHBondContact O-OG1 3.45Å | ||
| 333 | G | 45.9 | Very low | 57.7 | Low | 56 Ų | 56 | 118.2 Ų | 118.2 | 58% | 0.577 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 128.5 | 75.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | D335 | G333-D335 PolarHBondContact O-N 3.04Š|
| 334 | A | 51.3 | Low | 58.2 | Low | 65 Ų | 65 | 114.1 Ų | 114.1 | 54% | 0.537 | 62% | 0.624 | S | S | . | * | trans | -33.6 | 120.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | P336 | A334-P336 WeakPolarHBondContact O-CD 3.44Š| ||
| 335 | D | 52.5 | Low | 58.9 | Low | 113 Ų | 113 | 116 Ų | 116 | 60% | 0.604 | 62% | 0.624 | S | S | * | * | trans | -34.5 | 110.7 | -175.6 | -95.1 | -30.5 | 0 | 0 | 0 | 109.3 | G333 E337 S338 N339 | G333-D335 PolarHBondContact O-N 3.04Å; D335-E337 PolarHBondContact O-N 2.68Å; D335-S338 WeakPolarHBondContact O-CA 3.25Å; D335-S338 PolarHBondContact O-N 3.25Å; D335-N339 PolarHBondContact O-N 3.42Å | ||
| 336 | P | 59 | Low | 59.8 | Low | 103 Ų | 103 | 114.5 Ų | 114.5 | 67% | 0.669 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62 | -19.2 | -178.6 | 22.3 | -31.3 | 0 | 0 | 0 | 110.5 | A334 R340 | A334-P336 WeakPolarHBondContact O-CD 3.44Å; P336-R340 WeakPolarHBondContact O-CB 3.4Å; P336-R340 PolarHBondContact O-N 3.15Å |
| 337 | E | 60.3 | Low | 60.4 | Low | 149 Ų | 149 | 115 Ų | 115 | 70% | 0.696 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -77.4 | -35.9 | 169.8 | -66.3 | -154.5 | 124.5 | 0 | 0 | 113.7 | D335 R340 N341 | D335-E337 PolarHBondContact O-N 2.68Å; E337-R340 PolarHBondContact O-N 2.72Å; E337-N341 WeakPolarHBondContact O-CB 3.24Å; E337-N341 PolarHBondContact O-N 3.47Å; E337-N341 PolarHBondContact O-ND2 2.86Å; E337-N341 VanDerWaalsContact O-ND2 3.15Å |
| 338 | S | 60.3 | Low | 61.3 | Low | 64 Ų | 64 | 113 Ų | 113 | 45% | 0.448 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.8 | -47.2 | 175 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | D335 R340 N341 V342 | D335-S338 WeakPolarHBondContact O-CA 3.25Å; D335-S338 PolarHBondContact O-N 3.25Å; S338-R340 VanDerWaalsContact C-N 3.32Å; S338-R340 PolarHBondContact O-N 3.37Å; S338-N341 PolarHBondContact O-N 2.87Å; S338-V342 WeakPolarHBondContact O-CG2 3.45Å; S338-V342 PolarHBondContact O-N 2.88Å |
| 339 | N | 61.1 | Low | 62.2 | Low | 83 Ų | 83 | 112.7 Ų | 112.7 | 44% | 0.444 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64 | -37 | 174.3 | -93.1 | -20 | 0 | 0 | 0 | 111.9 | D335 V342 L343 | D335-N339 PolarHBondContact O-N 3.42Å; N339-V342 PolarHBondContact O-N 3.12Å; N339-L343 WeakPolarHBondContact O-CB 3.4Å; N339-L343 WeakPolarHBondContact O-CG 3.4Å; N339-L343 PolarHBondContact O-N 3.12Å |
| 340 | R | 60.9 | Low | 63.3 | Low | 171 Ų | 171 | 113.9 Ų | 113.9 | 65% | 0.645 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64 | -42.9 | 172.7 | -179.4 | 179.1 | 175.2 | 88.5 | 3.5 | 111.7 | P336 E337 S338 L343 V344 | P336-R340 WeakPolarHBondContact O-CB 3.4Å; P336-R340 PolarHBondContact O-N 3.15Å; E337-R340 PolarHBondContact O-N 2.72Å; S338-R340 VanDerWaalsContact C-N 3.32Å; S338-R340 PolarHBondContact O-N 3.37Å; R340-L343 PolarHBondContact O-N 3.44Å; R340-V344 HydrophobicContact CG-CG2 4.26Å; R340-V344 VanDerWaalsContact O-CB 3.23Å; R340-V344 WeakPolarHBondContact O-CB 3.5Å; R340-V344 WeakPolarHBondContact O-CG2 3.49Å; R340-V344 PolarHBondContact O-N 2.85Å |
| 341 | N | 67.6 | Low | 64.2 | Low | 109 Ų | 109 | 114.8 Ų | 114.8 | 58% | 0.583 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.8 | -38.2 | 178.4 | -71.2 | -24.2 | 0 | 0 | 0 | 112.2 | E337 S338 R345 | E337-N341 WeakPolarHBondContact O-CB 3.24Å; E337-N341 PolarHBondContact O-N 3.47Å; E337-N341 PolarHBondContact O-ND2 2.86Å; E337-N341 VanDerWaalsContact O-ND2 3.15Å; S338-N341 PolarHBondContact O-N 2.87Å; N341-R345 WeakPolarHBondContact O-CB 3.46Å; N341-R345 PolarHBondContact O-N 2.87Å |
| 342 | V | 70.5 | Confident | 65.5 | Low | 85 Ų | 85 | 115.5 Ų | 115.5 | 52% | 0.515 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.7 | -41.7 | 175 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | S338 N339 R345 K346 | S338-V342 WeakPolarHBondContact O-CG2 3.45Å; S338-V342 PolarHBondContact O-N 2.88Å; N339-V342 PolarHBondContact O-N 3.12Å; V342-R345 PolarHBondContact O-N 3.35Å; V342-K346 VanDerWaalsContact O-CB 3.26Å; V342-K346 WeakPolarHBondContact O-CB 3.46Å; V342-K346 PolarHBondContact O-N 2.96Å |
| 343 | L | 67.9 | Low | 66.9 | Low | 115 Ų | 115 | 113 Ų | 113 | 60% | 0.602 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.5 | -42.4 | 175.3 | -74.9 | 170.1 | 0 | 0 | 0 | 111.8 | N339 R340 R345 K346 E347 | N339-L343 WeakPolarHBondContact O-CB 3.4Å; N339-L343 WeakPolarHBondContact O-CG 3.4Å; N339-L343 PolarHBondContact O-N 3.12Å; R340-L343 PolarHBondContact O-N 3.44Å; L343-R345 VanDerWaalsContact C-N 3.35Å; L343-K346 PolarHBondContact O-N 3.12Å; L343-E347 WeakPolarHBondContact O-CB 3.41Å; L343-E347 PolarHBondContact O-N 3.46Å |
| 344 | V | 71.6 | Confident | 68.3 | Low | 66 Ų | 66 | 113.4 Ų | 113.4 | 40% | 0.4 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63 | -42.4 | 174.3 | 168 | 0 | 0 | 0 | 0 | 110.4 | R340 E347 E348 | R340-V344 HydrophobicContact CG-CG2 4.26Å; R340-V344 VanDerWaalsContact O-CB 3.23Å; R340-V344 WeakPolarHBondContact O-CB 3.5Å; R340-V344 WeakPolarHBondContact O-CG2 3.49Å; R340-V344 PolarHBondContact O-N 2.85Å; V344-E347 PolarHBondContact O-N 2.74Å; V344-E348 WeakPolarHBondContact O-CB 2.97Å; V344-E348 PolarHBondContact O-N 2.73Å |
| 345 | R | 74.7 | Confident | 69.2 | Low | 189 Ų | 189 | 116 Ų | 116 | 71% | 0.713 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.9 | -39.4 | 176.9 | -170.2 | 175.7 | -177.8 | 138.2 | -2.1 | 112.2 | N341 V342 L343 E348 E349 | N341-R345 WeakPolarHBondContact O-CB 3.46Å; N341-R345 PolarHBondContact O-N 2.87Å; V342-R345 PolarHBondContact O-N 3.35Å; L343-R345 VanDerWaalsContact C-N 3.35Å; R345-E348 PolarHBondContact O-N 2.89Å; R345-E349 VanDerWaalsContact O-CB 3.25Å; R345-E349 WeakPolarHBondContact O-CB 3.42Å; R345-E349 PolarHBondContact O-N 2.75Å |
| 346 | K | 77.4 | Confident | 70.2 | Confident | 149 Ų | 149 | 117.2 Ų | 117.2 | 65% | 0.648 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.7 | -35 | 176.1 | -168.3 | 175.2 | -175.1 | 175.5 | 0 | 111.7 | V342 L343 K350 | V342-K346 VanDerWaalsContact O-CB 3.26Å; V342-K346 WeakPolarHBondContact O-CB 3.46Å; V342-K346 PolarHBondContact O-N 2.96Å; L343-K346 PolarHBondContact O-N 3.12Å; K346-K350 WeakPolarHBondContact O-CB 2.79Å; K346-K350 PolarHBondContact O-N 3.08Å |
| 347 | E | 71.7 | Confident | 70.8 | Confident | 125 Ų | 125 | 121 Ų | 121 | 58% | 0.584 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -73.3 | -39.6 | 174.6 | -168.8 | 173.6 | -155.8 | 0 | 0 | 111.4 | L343 V344 K350 L351 | L343-E347 WeakPolarHBondContact O-CB 3.41Å; L343-E347 PolarHBondContact O-N 3.46Å; V344-E347 PolarHBondContact O-N 2.74Å; E347-K350 PolarHBondContact O-N 3.33Å; E347-L351 HydrophobicContact CG-CD1 4.04Å; E347-L351 VanDerWaalsContact O-CB 3.24Å; E347-L351 WeakPolarHBondContact O-CB 3.47Å; E347-L351 WeakPolarHBondContact O-CG 3.35Å; E347-L351 PolarHBondContact O-N 2.71Å |
| 348 | E | 75.9 | Confident | 71.2 | Confident | 133 Ų | 133 | 119.8 Ų | 119.8 | 62% | 0.621 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68 | -38.8 | 174.9 | -168.8 | 179.4 | 179.1 | 0 | 0 | 111.4 | V344 R345 R352 | V344-E348 WeakPolarHBondContact O-CB 2.97Å; V344-E348 PolarHBondContact O-N 2.73Å; R345-E348 PolarHBondContact O-N 2.89Å; E348-R352 WeakPolarHBondContact O-CB 3.3Å; E348-R352 PolarHBondContact O-N 3.1Å |
| 349 | E | 76.4 | Confident | 71.9 | Confident | 135 Ų | 135 | 119.8 Ų | 119.8 | 63% | 0.631 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.5 | -39.4 | 173.4 | -172.5 | 169.6 | -159.3 | 0 | 0 | 111.6 | R345 R352 A353 | R345-E349 VanDerWaalsContact O-CB 3.25Å; R345-E349 WeakPolarHBondContact O-CB 3.42Å; R345-E349 PolarHBondContact O-N 2.75Å; E349-R352 PolarHBondContact O-N 2.8Å; E349-A353 VanDerWaalsContact O-CB 3.23Å; E349-A353 WeakPolarHBondContact O-CB 3.49Å; E349-A353 PolarHBondContact O-N 2.8Å |
| 350 | K | 78.9 | Confident | 72.6 | Confident | 149 Ų | 149 | 122.1 Ų | 122.1 | 65% | 0.648 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.5 | -45 | 173 | -170.1 | 177.5 | -179.7 | -175.1 | 0 | 110.9 | K346 E347 R352 A353 T354 | K346-K350 WeakPolarHBondContact O-CB 2.79Å; K346-K350 PolarHBondContact O-N 3.08Å; E347-K350 PolarHBondContact O-N 3.33Å; K350-R352 VanDerWaalsContact C-N 3.33Å; K350-R352 PolarHBondContact O-N 2.96Å; K350-A353 CarbonylContact O-C 3.57Å; K350-A353 PolarHBondContact O-N 3.48Å; K350-T354 HydrophobicContact CG-CG2 4.47Å; K350-T354 WeakPolarHBondContact O-CG2 3.42Å; K350-T354 PolarHBondContact O-N 2.87Å; K350-T354 PolarHBondContact O-OG1 2.85Å |
| 351 | L | 71.9 | Confident | 73.1 | Confident | 105 Ų | 105 | 118.9 Ų | 118.9 | 55% | 0.55 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.7 | -39.3 | 174.4 | -85.5 | 158.5 | 0 | 0 | 0 | 111.4 | E347 A353 T354 L355 | E347-L351 HydrophobicContact CG-CD1 4.04Å; E347-L351 VanDerWaalsContact O-CB 3.24Å; E347-L351 WeakPolarHBondContact O-CB 3.47Å; E347-L351 WeakPolarHBondContact O-CG 3.35Å; E347-L351 PolarHBondContact O-N 2.71Å; L351-A353 VanDerWaalsContact C-N 3.35Å; L351-T354 WeakPolarHBondContact CA-OG1 3.5Å; L351-T354 PolarHBondContact O-OG1 2.8Å; L351-T354 VanDerWaalsContact O-OG1 3.07Å; L351-L355 WeakPolarHBondContact O-CB 3.28Å; L351-L355 PolarHBondContact O-N 2.89Å |
| 352 | R | 75.1 | Confident | 73 | Confident | 154 Ų | 154 | 122.7 Ų | 122.7 | 58% | 0.581 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69 | -35.3 | 175.7 | -167.2 | 174.6 | -170 | -169.9 | 4.6 | 111.6 | E348 E349 K350 R356 | E348-R352 WeakPolarHBondContact O-CB 3.3Å; E348-R352 PolarHBondContact O-N 3.1Å; E349-R352 PolarHBondContact O-N 2.8Å; K350-R352 VanDerWaalsContact C-N 3.33Å; K350-R352 PolarHBondContact O-N 2.96Å; R352-R356 VanDerWaalsContact O-CB 3.3Å; R352-R356 WeakPolarHBondContact O-CB 3.5Å; R352-R356 WeakPolarHBondContact O-CG 3.38Å; R352-R356 PolarHBondContact O-N 2.81Å |
| 353 | A | 74.8 | Confident | 72.9 | Confident | 54 Ų | 54 | 127.3 Ų | 127.3 | 45% | 0.446 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -73.2 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E349 K350 L351 R356 R357 | E349-A353 VanDerWaalsContact O-CB 3.23Å; E349-A353 WeakPolarHBondContact O-CB 3.49Å; E349-A353 PolarHBondContact O-N 2.8Å; K350-A353 CarbonylContact O-C 3.57Å; K350-A353 PolarHBondContact O-N 3.48Å; L351-A353 VanDerWaalsContact C-N 3.35Å; A353-R356 PolarHBondContact O-N 2.89Å; A353-R357 VanDerWaalsContact O-CB 3.27Å; A353-R357 WeakPolarHBondContact O-CB 3.23Å; A353-R357 PolarHBondContact O-N 2.79Å |
| 354 | T | 75.4 | Confident | 72.8 | Confident | 66 Ų | 66 | 128 Ų | 128 | 41% | 0.405 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.3 | -41.9 | 173.9 | 59.2 | 0 | 0 | 0 | 0 | 110.8 | K350 L351 R356 R357 E358 | K350-T354 HydrophobicContact CG-CG2 4.47Å; K350-T354 WeakPolarHBondContact O-CG2 3.42Å; K350-T354 PolarHBondContact O-N 2.87Å; K350-T354 PolarHBondContact O-OG1 2.85Å; L351-T354 WeakPolarHBondContact CA-OG1 3.5Å; L351-T354 PolarHBondContact O-OG1 2.8Å; L351-T354 VanDerWaalsContact O-OG1 3.07Å; T354-R356 VanDerWaalsContact C-N 3.34Å; T354-R356 PolarHBondContact O-N 2.79Å; T354-R357 CarbonylContact O-C 3.6Å; T354-R357 PolarHBondContact O-N 3.47Å; T354-E358 WeakPolarHBondContact O-CA 3.5Å; T354-E358 WeakPolarHBondContact O-CB 3.24Å; T354-E358 PolarHBondContact O-N 3.3Å |
| 355 | L | 68.4 | Low | 72.5 | Confident | 118 Ų | 118 | 134.3 Ų | 134.3 | 62% | 0.618 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.7 | -37.9 | 175.3 | -166.9 | 80.1 | 0 | 0 | 0 | 111.5 | L351 S359 | L351-L355 WeakPolarHBondContact O-CB 3.28Å; L351-L355 PolarHBondContact O-N 2.89Å; L355-S359 WeakPolarHBondContact O-CB 3.48Å; L355-S359 PolarHBondContact O-N 3.2Å; L355-S359 PolarHBondContact O-OG 2.81Å |
| 356 | R | 74 | Confident | 71.8 | Confident | 139 Ų | 139 | 130.4 Ų | 130.4 | 53% | 0.525 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.7 | -46.5 | 171.6 | -84.7 | -175.1 | 179.8 | 132.7 | -5.5 | 111.6 | R352 A353 T354 E358 S359 Q360 | R352-R356 VanDerWaalsContact O-CB 3.3Å; R352-R356 WeakPolarHBondContact O-CB 3.5Å; R352-R356 WeakPolarHBondContact O-CG 3.38Å; R352-R356 PolarHBondContact O-N 2.81Å; A353-R356 PolarHBondContact O-N 2.89Å; T354-R356 VanDerWaalsContact C-N 3.34Å; T354-R356 PolarHBondContact O-N 2.79Å; R356-E358 VanDerWaalsContact C-N 3.34Å; R356-E358 PolarHBondContact O-N 2.81Å; R356-S359 PolarHBondContact O-N 2.9Å; R356-S359 PolarHBondContact O-OG 3.37Å; R356-Q360 WeakPolarHBondContact O-CB 3.47Å; R356-Q360 WeakPolarHBondContact O-CG 3.41Å; R356-Q360 PolarHBondContact O-N 3.08Å |
| 357 | R | 71 | Confident | 71.2 | Confident | 182 Ų | 182 | 130.4 Ų | 130.4 | 69% | 0.687 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.3 | -40.6 | 179 | -167.2 | -176.2 | 179.6 | 99.3 | -0.6 | 111.3 | A353 T354 Q360 L361 | A353-R357 VanDerWaalsContact O-CB 3.27Å; A353-R357 WeakPolarHBondContact O-CB 3.23Å; A353-R357 PolarHBondContact O-N 2.79Å; T354-R357 CarbonylContact O-C 3.6Å; T354-R357 PolarHBondContact O-N 3.47Å; R357-Q360 PolarHBondContact O-N 3.12Å; R357-L361 HydrophobicContact CG-CD1 4.02Å; R357-L361 VanDerWaalsContact O-CB 3.3Å; R357-L361 WeakPolarHBondContact O-CB 3.4Å; R357-L361 WeakPolarHBondContact O-CD1 3.22Å; R357-L361 WeakPolarHBondContact O-CG 3.47Å; R357-L361 PolarHBondContact O-N 2.82Å |
| 358 | E | 70.6 | Confident | 70.7 | Confident | 124 Ų | 124 | 130.5 Ų | 130.5 | 58% | 0.579 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.6 | -41.8 | 176.9 | -174.1 | 176 | -175.9 | 0 | 0 | 111.2 | T354 R356 Q360 L361 R362 | T354-E358 WeakPolarHBondContact O-CA 3.5Å; T354-E358 WeakPolarHBondContact O-CB 3.24Å; T354-E358 PolarHBondContact O-N 3.3Å; R356-E358 VanDerWaalsContact C-N 3.34Å; R356-E358 PolarHBondContact O-N 2.81Å; E358-Q360 VanDerWaalsContact C-N 3.34Å; E358-Q360 PolarHBondContact O-N 3.08Å; E358-L361 PolarHBondContact O-N 3.12Å; E358-R362 WeakPolarHBondContact O-CB 3.48Å; E358-R362 PolarHBondContact O-N 2.92Å |
| 359 | S | 73.5 | Confident | 69.9 | Low | 64 Ų | 64 | 127 Ų | 127 | 45% | 0.448 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64 | -38.6 | 173 | 74 | 0 | 0 | 0 | 0 | 111.9 | L355 R356 R362 R363 | L355-S359 WeakPolarHBondContact O-CB 3.48Å; L355-S359 PolarHBondContact O-N 3.2Å; L355-S359 PolarHBondContact O-OG 2.81Å; R356-S359 PolarHBondContact O-N 2.9Å; R356-S359 PolarHBondContact O-OG 3.37Å; S359-R362 PolarHBondContact O-N 2.82Å; S359-R363 VanDerWaalsContact O-CB 3.3Å; S359-R363 WeakPolarHBondContact O-CB 3.16Å; S359-R363 PolarHBondContact O-N 3.5Å |
| 360 | Q | 75.5 | Confident | 68.9 | Low | 133 Ų | 133 | 127.2 Ų | 127.2 | 62% | 0.621 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.4 | -41.3 | 175.2 | -76.9 | -176.4 | -4.3 | 0 | 0 | 111.9 | R356 R357 E358 R363 M364 | R356-Q360 WeakPolarHBondContact O-CB 3.47Å; R356-Q360 WeakPolarHBondContact O-CG 3.41Å; R356-Q360 PolarHBondContact O-N 3.08Å; R357-Q360 PolarHBondContact O-N 3.12Å; E358-Q360 VanDerWaalsContact C-N 3.34Å; E358-Q360 PolarHBondContact O-N 3.08Å; Q360-R363 PolarHBondContact O-N 3.46Å; Q360-M364 WeakPolarHBondContact O-CB 3.37Å; Q360-M364 PolarHBondContact O-N 3.5Å |
| 361 | L | 71.6 | Confident | 67.8 | Low | 103 Ų | 103 | 124.5 Ų | 124.5 | 54% | 0.539 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.9 | -39.3 | 173.9 | -87.1 | 156.4 | 0 | 0 | 0 | 111.6 | R357 E358 M364 R365 | R357-L361 HydrophobicContact CG-CD1 4.02Å; R357-L361 VanDerWaalsContact O-CB 3.3Å; R357-L361 WeakPolarHBondContact O-CB 3.4Å; R357-L361 WeakPolarHBondContact O-CD1 3.22Å; R357-L361 WeakPolarHBondContact O-CG 3.47Å; R357-L361 PolarHBondContact O-N 2.82Å; E358-L361 PolarHBondContact O-N 3.12Å; L361-M364 PolarHBondContact O-N 2.8Å; L361-R365 WeakPolarHBondContact O-CB 3.4Å; L361-R365 PolarHBondContact O-N 2.79Å |
| 362 | R | 65.4 | Low | 66.8 | Low | 189 Ų | 189 | 129.8 Ų | 129.8 | 71% | 0.713 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.6 | -42.3 | 174.7 | -168.4 | 176.3 | 179.1 | -154.1 | -1.1 | 110.4 | E358 S359 R365 E366 | E358-R362 WeakPolarHBondContact O-CB 3.48Å; E358-R362 PolarHBondContact O-N 2.92Å; S359-R362 PolarHBondContact O-N 2.82Å; R362-R365 PolarHBondContact O-N 2.83Å; R362-E366 WeakPolarHBondContact O-CB 3.32Å; R362-E366 PolarHBondContact O-N 2.88Å |
| 363 | R | 69.1 | Low | 65.7 | Low | 182 Ų | 182 | 127.1 Ų | 127.1 | 69% | 0.687 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.1 | -35.2 | 174.8 | -137.6 | 174.7 | -172.4 | -168.3 | 2.1 | 112.5 | S359 Q360 K367 | S359-R363 VanDerWaalsContact O-CB 3.3Å; S359-R363 WeakPolarHBondContact O-CB 3.16Å; S359-R363 PolarHBondContact O-N 3.5Å; Q360-R363 PolarHBondContact O-N 3.46Å; R363-K367 VanDerWaalsContact O-CB 3.29Å; R363-K367 WeakPolarHBondContact O-CB 3.38Å; R363-K367 VanDerWaalsContact O-CG 3.25Å; R363-K367 WeakPolarHBondContact O-CG 3.19Å; R363-K367 PolarHBondContact O-N 2.87Å |
| 364 | M | 65 | Low | 64.5 | Low | 129 Ų | 129 | 129.4 Ų | 129.4 | 64% | 0.635 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.7 | -38.7 | 173.4 | -85.4 | -164.9 | 154.4 | 0 | 0 | 112.1 | Q360 L361 K367 Q368 | Q360-M364 WeakPolarHBondContact O-CB 3.37Å; Q360-M364 PolarHBondContact O-N 3.5Å; L361-M364 PolarHBondContact O-N 2.8Å; M364-K367 PolarHBondContact O-N 3.49Å; M364-Q368 WeakPolarHBondContact O-CB 2.98Å; M364-Q368 WeakPolarHBondContact O-CG 3.31Å; M364-Q368 PolarHBondContact O-N 3.43Å |
| 365 | R | 65.8 | Low | 63 | Low | 198 Ų | 198 | 136.1 Ų | 136.1 | 75% | 0.747 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.8 | -37.8 | 175.3 | -170.8 | 173.7 | -177 | 161.7 | 0.1 | 111 | L361 R362 Q368 A369 | L361-R365 WeakPolarHBondContact O-CB 3.4Å; L361-R365 PolarHBondContact O-N 2.79Å; R362-R365 PolarHBondContact O-N 2.83Å; R365-Q368 PolarHBondContact O-N 2.89Å; R365-A369 WeakPolarHBondContact O-CB 3.42Å; R365-A369 PolarHBondContact O-N 2.75Å |
| 366 | E | 60.1 | Low | 61.5 | Low | 108 Ų | 108 | 134.1 Ų | 134.1 | 51% | 0.505 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69 | -40.7 | 172.9 | -169.3 | 177.8 | -178.9 | 0 | 0 | 111.2 | R362 Q368 A369 M370 | R362-E366 WeakPolarHBondContact O-CB 3.32Å; R362-E366 PolarHBondContact O-N 2.88Å; E366-Q368 PolarHBondContact O-N 2.94Å; E366-A369 PolarHBondContact O-N 2.89Å; E366-M370 VanDerWaalsContact O-CB 3.32Å; E366-M370 WeakPolarHBondContact O-CB 3.35Å; E366-M370 WeakPolarHBondContact O-CG 3.38Å; E366-M370 PolarHBondContact O-N 2.99Å |
| 367 | K | 64.1 | Low | 59.8 | Low | 149 Ų | 149 | 132.1 Ų | 132.1 | 65% | 0.648 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.6 | -35.4 | 171.3 | -78.9 | -178.5 | 174.2 | -165.4 | 0 | 113 | R363 M364 S371 | R363-K367 VanDerWaalsContact O-CB 3.29Å; R363-K367 WeakPolarHBondContact O-CB 3.38Å; R363-K367 VanDerWaalsContact O-CG 3.25Å; R363-K367 WeakPolarHBondContact O-CG 3.19Å; R363-K367 PolarHBondContact O-N 2.87Å; M364-K367 PolarHBondContact O-N 3.49Å; K367-S371 VanDerWaalsContact O-CB 3.26Å; K367-S371 WeakPolarHBondContact O-CB 3.41Å; K367-S371 PolarHBondContact O-N 3.04Å |
| 368 | Q | 61.8 | Low | 58.4 | Low | 127 Ų | 127 | 130.3 Ų | 130.3 | 59% | 0.593 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -75.6 | -31.9 | 174.5 | -79 | -177.8 | -3.4 | 0 | 0 | 112.3 | M364 R365 E366 S371 R372 | M364-Q368 WeakPolarHBondContact O-CB 2.98Å; M364-Q368 WeakPolarHBondContact O-CG 3.31Å; M364-Q368 PolarHBondContact O-N 3.43Å; R365-Q368 PolarHBondContact O-N 2.89Å; E366-Q368 PolarHBondContact O-N 2.94Å; Q368-S371 PolarHBondContact O-N 3.22Å; Q368-R372 WeakPolarHBondContact O-CB 3.36Å; Q368-R372 WeakPolarHBondContact O-CG 3.25Å; Q368-R372 PolarHBondContact O-N 2.64Å |
| 369 | A | 58.8 | Low | 57.2 | Low | 60 Ų | 60 | 134.5 Ų | 134.5 | 50% | 0.496 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -68.4 | -40.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | R365 E366 S371 R372 S373 | R365-A369 WeakPolarHBondContact O-CB 3.42Å; R365-A369 PolarHBondContact O-N 2.75Å; E366-A369 PolarHBondContact O-N 2.89Å; A369-S371 VanDerWaalsContact C-N 3.35Å; A369-R372 PolarHBondContact O-N 3.49Å; A369-S373 VanDerWaalsContact O-CB 3.23Å; A369-S373 WeakPolarHBondContact O-CB 3.48Å; A369-S373 PolarHBondContact O-N 3.07Å |
| 370 | M | 56.7 | Low | 55.6 | Low | 139 Ų | 139 | 143.4 Ų | 143.4 | 69% | 0.685 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -67.8 | -32.2 | 172.4 | -70.1 | -117.1 | -114.5 | 0 | 0 | 112.5 | E366 | E366-M370 VanDerWaalsContact O-CB 3.32Å; E366-M370 WeakPolarHBondContact O-CB 3.35Å; E366-M370 WeakPolarHBondContact O-CG 3.38Å; E366-M370 PolarHBondContact O-N 2.99Å |
| 371 | S | 55.3 | Low | 53.9 | Low | 92 Ų | 92 | 148.8 Ų | 148.8 | 64% | 0.643 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -76.9 | -22.6 | 174.7 | -173.9 | 0 | 0 | 0 | 0 | 113.6 | K367 Q368 A369 | K367-S371 VanDerWaalsContact O-CB 3.26Å; K367-S371 WeakPolarHBondContact O-CB 3.41Å; K367-S371 PolarHBondContact O-N 3.04Å; Q368-S371 PolarHBondContact O-N 3.22Å; A369-S371 VanDerWaalsContact C-N 3.35Å |
| 372 | R | 51.6 | Low | 52.4 | Low | 215 Ų | 215 | 149.4 Ų | 149.4 | 81% | 0.811 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -94.4 | -12.4 | 173.9 | -75.5 | -177.2 | 147.6 | 159.6 | -5.1 | 113.4 | Q368 A369 S374 | Q368-R372 WeakPolarHBondContact O-CB 3.36Å; Q368-R372 WeakPolarHBondContact O-CG 3.25Å; Q368-R372 PolarHBondContact O-N 2.64Å; A369-R372 PolarHBondContact O-N 3.49Å; R372-S374 VanDerWaalsContact C-N 3.26Å; R372-S374 PolarHBondContact O-N 3.38Å |
| 373 | S | 50.7 | Low | 51.3 | Low | 99 Ų | 99 | 151.6 Ų | 151.6 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 2.7 | 173.5 | -173.4 | 0 | 0 | 0 | 0 | 113.7 | A369 | A369-S373 VanDerWaalsContact O-CB 3.23Å; A369-S373 WeakPolarHBondContact O-CB 3.48Å; A369-S373 PolarHBondContact O-N 3.07Å |
| 374 | S | 50.2 | Low | 49.9 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 8.6 | -179 | -147.4 | 0 | 0 | 0 | 0 | 114.3 | R372 | R372-S374 VanDerWaalsContact C-N 3.26Å; R372-S374 PolarHBondContact O-N 3.38Å |
| 375 | F | 43 | Very low | 48.6 | Very low | 207 Ų | 207 | 148.2 Ų | 148.2 | 91% | 0.908 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -135.8 | 88.6 | 176.2 | -112.2 | -93.2 | 0 | 0 | 0 | 109.2 | ||
| 376 | G | 38.3 | Very low | 47.5 | Very low | 75 Ų | 75 | 145 Ų | 145 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | 168.4 | 67.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 377 | S | 38.6 | Very low | 46.8 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | trans | -57.4 | 146.7 | 172 | -163.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 378 | E | 40.9 | Very low | 45.6 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 67% | 0.673 | 75% | 0.748 | S | S | * | * | trans | 87.8 | 109.7 | 149 | -81.8 | 155.1 | -121.2 | 0 | 0 | 120.8 | ||||
| 379 | R | 44.2 | Very low | 44.9 | Very low | 213 Ų | 213 | 147.7 Ų | 147.7 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 90.4 | 95.1 | 143.1 | -56.6 | 168.4 | -163.9 | -142.5 | 5.2 | 117.6 | ||||
| 380 | R | 41.5 | Very low | 44.2 | Very low | 250 Ų | 250 | 152.1 Ų | 152.1 | 94% | 0.943 | 77% | 0.773 | S | S | * | * | 168.2 | 136.6 | 96.6 | -99.3 | 177.5 | 168.9 | -126.7 | 0.7 | 111.5 | |||||
| 381 | R | 38.7 | Very low | 43.7 | Very low | 247 Ų | 247 | 152.4 Ų | 152.4 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | trans | -81.3 | 137.1 | 172.5 | -65 | 171 | 168.6 | -146.2 | -2.5 | 110.6 | ||||
| 382 | S | 41.1 | Very low | 43.3 | Very low | 116 Ų | 116 | 155.2 Ų | 155.2 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | 170.4 | 109.4 | 145.8 | -124.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 383 | Y | 41.4 | Very low | 42.9 | Very low | 235 Ų | 235 | 149 Ų | 149 | 92% | 0.922 | 79% | 0.789 | S | S | * | * | 60.5 | 122.4 | 84 | -111.2 | -86.9 | 0 | 0 | 0 | 115.2 | |||||
| 384 | G | 40.1 | Very low | 42.6 | Very low | 66 Ų | 66 | 150.9 Ų | 150.9 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | 93.6 | 110.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 385 | E | 37.4 | Very low | 42.5 | Very low | 173 Ų | 173 | 152.2 Ų | 152.2 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | 70 | 118.8 | 57 | -163.3 | 169 | -148.9 | 0 | 0 | 111.6 | |||||
| 386 | D | 42.9 | Very low | 43 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | 60.5 | 145.9 | 164.8 | -61.6 | -13.1 | 0 | 0 | 0 | 115.8 | ||||
| 387 | D | 45.1 | Very low | 44.1 | Very low | 125 Ų | 125 | 147.2 Ų | 147.2 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | cis | -169.1 | 175.3 | 5.3 | -127.2 | -40.5 | 0 | 0 | 0 | 104.3 | ||||
| 388 | E | 40.2 | Very low | 45.2 | Very low | 164 Ų | 164 | 149.6 Ų | 149.6 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | trans | 72.5 | 111.6 | 154.5 | -69.7 | 166.8 | -176.6 | 0 | 0 | 119 | ||||
| 389 | D | 45.5 | Very low | 46.7 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -177.1 | 90.1 | 130.2 | -87.7 | -29.6 | 0 | 0 | 0 | 105.4 | ||||
| 390 | D | 45.7 | Very low | 48.1 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | 59.2 | 92.5 | 98.2 | -81.9 | -27.4 | 0 | 0 | 0 | 113 | |||||
| 391 | D | 45.9 | Very low | 49.2 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | trans | -155.8 | 99.7 | 153.7 | -135.9 | -4.7 | 0 | 0 | 0 | 111.2 | ||||
| 392 | D | 46.9 | Very low | 50.9 | Low | 150 Ų | 150 | 129.5 Ų | 129.5 | 80% | 0.802 | 72% | 0.723 | S | S | * | * | trans | 59.8 | 93.9 | 138.2 | -63.8 | -13.4 | 0 | 0 | 0 | 121.5 | N394 | D392-N394 PolarHBondContact O-N 3.38Š| ||
| 393 | G | 42.9 | Very low | 52.5 | Low | 85 Ų | 85 | 133.2 Ų | 133.2 | 88% | 0.876 | 72% | 0.719 | S | S | * | * | 89.8 | 7.9 | 99.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 394 | N | 44.1 | Very low | 54.3 | Low | 138 Ų | 138 | 127.8 Ų | 127.8 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | trans | -142.8 | 34.7 | 179.3 | -163.4 | 47.8 | 0 | 0 | 0 | 116.5 | D392 T396 | D392-N394 PolarHBondContact O-N 3.38Å; N394-T396 PolarHBondContact O-N 3.33Å | ||
| 395 | T | 48.7 | Very low | 55.9 | Low | 130 Ų | 130 | 127.7 Ų | 127.7 | 80% | 0.798 | 70% | 0.699 | S | S | * | * | trans | -92.3 | 49.8 | -176.3 | 61.6 | 0 | 0 | 0 | 0 | 114 | S397 | T395-S397 PolarHBondContact O-N 3.21Š| ||
| 396 | T | 52.6 | Low | 57.8 | Low | 102 Ų | 102 | 126.7 Ų | 126.7 | 63% | 0.626 | 69% | 0.692 | S | S | * | * | trans | -70.6 | 92.5 | 152.4 | 46.6 | 0 | 0 | 0 | 0 | 107.5 | N394 L398 | N394-T396 PolarHBondContact O-N 3.33Å; T396-L398 PolarHBondContact O-N 2.88Å | ||
| 397 | S | 62.2 | Low | 59.5 | Low | 75 Ų | 75 | 125.7 Ų | 125.7 | 52% | 0.524 | 69% | 0.687 | S | S | . | * | trans | -51.5 | 129 | -172.1 | -32.4 | 0 | 0 | 0 | 0 | 110.6 | T395 N399 A400 | T395-S397 PolarHBondContact O-N 3.21Å; S397-N399 PolarHBondContact O-N 2.85Å; S397-A400 WeakPolarHBondContact O-CB 3.31Å; S397-A400 PolarHBondContact O-N 3.43Å | ||
| 398 | L | 60.8 | Low | 61 | Low | 148 Ų | 148 | 123.5 Ų | 123.5 | 78% | 0.775 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -48.4 | -27.1 | 176.4 | -77.9 | 164.6 | 0 | 0 | 0 | 113.4 | T396 K402 | T396-L398 PolarHBondContact O-N 2.88Å; L398-K402 WeakPolarHBondContact O-CB 3.14Å; L398-K402 PolarHBondContact O-N 2.79Å; L398-K402 VanDerWaalsContact O-N 3.11Å |
| 399 | N | 72.9 | Confident | 62.7 | Low | 118 Ų | 118 | 120.7 Ų | 120.7 | 63% | 0.631 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -69.9 | -30.2 | 175 | -75.2 | -9.6 | 0 | 0 | 0 | 114.1 | S397 R403 | S397-N399 PolarHBondContact O-N 2.85Å; N399-R403 WeakPolarHBondContact O-CG 2.92Å; N399-R403 PolarHBondContact O-N 3.12Å |
| 400 | A | 73.3 | Confident | 64.1 | Low | 50 Ų | 50 | 118.4 Ų | 118.4 | 41% | 0.413 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -73.2 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S397 K402 R403 N404 | S397-A400 WeakPolarHBondContact O-CB 3.31Å; S397-A400 PolarHBondContact O-N 3.43Å; A400-K402 VanDerWaalsContact C-N 3.31Å; A400-K402 PolarHBondContact O-N 3.05Å; A400-R403 PolarHBondContact O-N 3.47Å; A400-N404 PolarHBondContact O-N 3.3Å; A400-N404 VanDerWaalsContact O-N 3.1Å |
| 401 | L | 66 | Low | 65.6 | Low | 106 Ų | 106 | 114.7 Ų | 114.7 | 56% | 0.555 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -60 | -39.9 | 173.7 | -81 | 146.9 | 0 | 0 | 0 | 111.8 | A405 | L401-A405 WeakPolarHBondContact O-CB 3.46Å; L401-A405 PolarHBondContact O-N 3.04Å |
| 402 | K | 73.1 | Confident | 66.8 | Low | 158 Ų | 158 | 110.1 Ų | 110.1 | 69% | 0.687 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.6 | -35.8 | 178.2 | -168.8 | 172.7 | -178.6 | 176.2 | 0 | 113.6 | L398 A400 K406 | L398-K402 WeakPolarHBondContact O-CB 3.14Å; L398-K402 PolarHBondContact O-N 2.79Å; L398-K402 VanDerWaalsContact O-N 3.11Å; A400-K402 VanDerWaalsContact C-N 3.31Å; A400-K402 PolarHBondContact O-N 3.05Å; K402-K406 PolarHBondContact O-N 3.49Å |
| 403 | R | 75.9 | Confident | 67.9 | Low | 194 Ų | 194 | 111.5 Ų | 111.5 | 73% | 0.732 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70 | -43 | 175.9 | -77.6 | -179 | -177.3 | 166.1 | 1.5 | 111.6 | N399 A400 K406 N407 | N399-R403 WeakPolarHBondContact O-CG 2.92Å; N399-R403 PolarHBondContact O-N 3.12Å; A400-R403 PolarHBondContact O-N 3.47Å; R403-K406 PolarHBondContact O-N 3.44Å; R403-N407 PolarHBondContact O-N 2.98Å |
| 404 | N | 77.9 | Confident | 69.1 | Low | 121 Ų | 121 | 115.1 Ų | 115.1 | 65% | 0.647 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.7 | -40.8 | 179.1 | -72.8 | -4.6 | 0 | 0 | 0 | 112.2 | A400 K406 N407 S408 | A400-N404 PolarHBondContact O-N 3.3Å; A400-N404 VanDerWaalsContact O-N 3.1Å; N404-K406 PolarHBondContact O-N 3.08Å; N404-N407 PolarHBondContact O-N 3.25Å; N404-S408 WeakPolarHBondContact O-CB 3.38Å; N404-S408 PolarHBondContact O-N 2.86Å |
| 405 | A | 75.1 | Confident | 70.1 | Confident | 64 Ų | 64 | 113.3 Ų | 113.3 | 53% | 0.529 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.5 | -39.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L401 L409 | L401-A405 WeakPolarHBondContact O-CB 3.46Å; L401-A405 PolarHBondContact O-N 3.04Å; A405-L409 PolarHBondContact O-N 2.92Å; A405-L409 VanDerWaalsContact O-N 3.12Å |
| 406 | K | 76.3 | Confident | 70.7 | Confident | 151 Ų | 151 | 112.1 Ų | 112.1 | 66% | 0.657 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.2 | -36.8 | 176.9 | -169.4 | 173.9 | -179.5 | 176.1 | 0 | 112.2 | K402 R403 N404 L410 | K402-K406 PolarHBondContact O-N 3.49Å; R403-K406 PolarHBondContact O-N 3.44Å; N404-K406 PolarHBondContact O-N 3.08Å; K406-L410 WeakPolarHBondContact O-CG 3.23Å; K406-L410 PolarHBondContact O-N 3.47Å |
| 407 | N | 77.7 | Confident | 71.1 | Confident | 110 Ų | 110 | 110.3 Ų | 110.3 | 59% | 0.588 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.1 | -41.9 | 178.4 | -147.5 | 37.9 | 0 | 0 | 0 | 111.2 | R403 N404 L409 L410 T411 | R403-N407 PolarHBondContact O-N 2.98Å; N404-N407 PolarHBondContact O-N 3.25Å; N407-L409 PolarHBondContact O-N 2.98Å; N407-L410 PolarHBondContact O-N 3.01Å; N407-T411 PolarHBondContact O-N 3.21Å; N407-T411 VanDerWaalsContact O-N 3.09Å; N407-T411 PolarHBondContact O-OG1 2.94Å |
| 408 | S | 76.8 | Confident | 71 | Confident | 80 Ų | 80 | 110.2 Ų | 110.2 | 56% | 0.559 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.3 | -39.8 | 176.4 | 174 | 0 | 0 | 0 | 0 | 112.9 | N404 L410 T411 A412 | N404-S408 WeakPolarHBondContact O-CB 3.38Å; N404-S408 PolarHBondContact O-N 2.86Å; S408-L410 VanDerWaalsContact C-N 3.33Å; S408-L410 PolarHBondContact O-N 3.19Å; S408-T411 PolarHBondContact O-N 2.89Å; S408-A412 PolarHBondContact O-N 2.86Å |
| 409 | L | 75.8 | Confident | 70.9 | Confident | 104 Ų | 104 | 109.8 Ų | 109.8 | 55% | 0.545 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.5 | -33.8 | 176.4 | -173.1 | 65.9 | 0 | 0 | 0 | 112.9 | A405 N407 R413 | A405-L409 PolarHBondContact O-N 2.92Å; A405-L409 VanDerWaalsContact O-N 3.12Å; N407-L409 PolarHBondContact O-N 2.98Å; L409-R413 PolarHBondContact O-N 2.77Å; L409-R413 VanDerWaalsContact O-N 3.17Å |
| 410 | L | 75.9 | Confident | 70.3 | Confident | 104 Ų | 104 | 114.5 Ų | 114.5 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -72.1 | -34.9 | 176.2 | -73.8 | 169 | 0 | 0 | 0 | 112 | K406 N407 S408 K414 | K406-L410 WeakPolarHBondContact O-CG 3.23Å; K406-L410 PolarHBondContact O-N 3.47Å; N407-L410 PolarHBondContact O-N 3.01Å; S408-L410 VanDerWaalsContact C-N 3.33Å; S408-L410 PolarHBondContact O-N 3.19Å; L410-K414 PolarHBondContact O-N 3.18Å |
| 411 | T | 76.7 | Confident | 69.1 | Low | 75 Ų | 75 | 117 Ų | 117 | 46% | 0.46 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68.2 | -46 | 175.1 | -16.3 | 0 | 0 | 0 | 0 | 110.7 | N407 S408 R413 K414 D415 | N407-T411 PolarHBondContact O-N 3.21Å; N407-T411 VanDerWaalsContact O-N 3.09Å; N407-T411 PolarHBondContact O-OG1 2.94Å; S408-T411 PolarHBondContact O-N 2.89Å; T411-R413 VanDerWaalsContact C-N 3.31Å; T411-R413 PolarHBondContact O-N 2.85Å; T411-K414 PolarHBondContact O-N 3.44Å; T411-D415 PolarHBondContact O-N 2.98Å |
| 412 | A | 71.6 | Confident | 68 | Low | 49 Ų | 49 | 117.7 Ų | 117.7 | 41% | 0.405 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.4 | -35.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S408 V416 | S408-A412 PolarHBondContact O-N 2.86Å; A412-V416 VanDerWaalsContact O-CG2 3.29Å; A412-V416 WeakPolarHBondContact O-CG2 3.06Å; A412-V416 PolarHBondContact O-N 2.85Å; A412-V416 VanDerWaalsContact O-N 3.12Å |
| 413 | R | 68.9 | Low | 66.7 | Low | 180 Ų | 180 | 117 Ų | 117 | 68% | 0.679 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.4 | -30.6 | 174.1 | -80.3 | -175.8 | 168.7 | -179.8 | -3.2 | 113.3 | L409 T411 A417 | L409-R413 PolarHBondContact O-N 2.77Å; L409-R413 VanDerWaalsContact O-N 3.17Å; T411-R413 VanDerWaalsContact C-N 3.31Å; T411-R413 PolarHBondContact O-N 2.85Å; R413-A417 WeakPolarHBondContact O-CB 3.49Å; R413-A417 PolarHBondContact O-N 3.5Å; R413-A417 VanDerWaalsContact O-N 3.16Å |
| 414 | K | 69.5 | Low | 65.3 | Low | 161 Ų | 161 | 117.2 Ų | 117.2 | 70% | 0.7 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.8 | -36.5 | 176.8 | -169 | 170 | 178 | 177.1 | 0 | 111.4 | L410 T411 A418 | L410-K414 PolarHBondContact O-N 3.18Å; T411-K414 PolarHBondContact O-N 3.44Å; K414-A418 WeakPolarHBondContact O-CB 3.19Å; K414-A418 PolarHBondContact O-N 3.28Å; K414-A418 VanDerWaalsContact O-N 3.16Å |
| 415 | D | 64.7 | Low | 63.9 | Low | 100 Ų | 100 | 120.4 Ų | 120.4 | 54% | 0.535 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -69.7 | -39.7 | 176.5 | -65.3 | -25.2 | 0 | 0 | 0 | 111.4 | T411 A418 I419 | T411-D415 PolarHBondContact O-N 2.98Å; D415-A418 PolarHBondContact O-N 3.28Å; D415-I419 WeakPolarHBondContact O-CG1 3.35Å |
| 416 | V | 61.7 | Low | 62.2 | Low | 104 Ų | 104 | 122.1 Ų | 122.1 | 63% | 0.63 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -70.6 | -33.5 | 176.4 | 175.7 | 0 | 0 | 0 | 0 | 112.7 | A412 A418 | A412-V416 VanDerWaalsContact O-CG2 3.29Å; A412-V416 WeakPolarHBondContact O-CG2 3.06Å; A412-V416 PolarHBondContact O-N 2.85Å; A412-V416 VanDerWaalsContact O-N 3.12Å; V416-A418 VanDerWaalsContact C-N 3.31Å |
| 417 | A | 59.4 | Low | 60.7 | Low | 64 Ų | 64 | 122.9 Ų | 122.9 | 53% | 0.529 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -72.9 | -22.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R413 | R413-A417 WeakPolarHBondContact O-CB 3.49Å; R413-A417 PolarHBondContact O-N 3.5Å; R413-A417 VanDerWaalsContact O-N 3.16Å |
| 418 | A | 61.3 | Low | 59 | Low | 74 Ų | 74 | 122.6 Ų | 122.6 | 61% | 0.612 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -78.3 | -20.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K414 D415 V416 | K414-A418 WeakPolarHBondContact O-CB 3.19Å; K414-A418 PolarHBondContact O-N 3.28Å; K414-A418 VanDerWaalsContact O-N 3.16Å; D415-A418 PolarHBondContact O-N 3.28Å; V416-A418 VanDerWaalsContact C-N 3.31Å |
| 419 | I | 59.5 | Low | 57.3 | Low | 138 Ų | 138 | 126 Ų | 126 | 71% | 0.708 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -13.4 | 179.8 | -29.2 | -173 | 0 | 0 | 0 | 112.3 | D415 | D415-I419 WeakPolarHBondContact O-CG1 3.35Š|
| 420 | Y | 59.5 | Low | 55.8 | Low | 218 Ų | 218 | 128.4 Ų | 128.4 | 86% | 0.855 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | 19.7 | -174 | -117.7 | -90.3 | 0 | 0 | 0 | 113.6 | ||
| 421 | S | 48.7 | Very low | 54.3 | Low | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 71% | 0.705 | S | S | * | * | trans | -129 | 45.9 | -174.8 | -176.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 422 | S | 42.9 | Very low | 53.1 | Low | 121 Ų | 121 | 133.7 Ų | 133.7 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | trans | -144.6 | 97.1 | 169.4 | -160.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 423 | D | 44 | Very low | 52 | Low | 143 Ų | 143 | 137 Ų | 137 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | trans | 162.4 | 77.1 | 140.1 | -162.6 | 30.8 | 0 | 0 | 0 | 110.4 | ||||
| 424 | E | 47.8 | Very low | 50.9 | Low | 199 Ų | 199 | 139.8 Ų | 139.8 | 93% | 0.93 | 76% | 0.755 | S | S | * | * | trans | -150.2 | 83.5 | 167 | -56.9 | -75 | 157.1 | 0 | 0 | 108 | ||||
| 425 | E | 48 | Very low | 49.9 | Very low | 187 Ų | 187 | 138.1 Ų | 138.1 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -85.7 | 138.8 | 160.8 | -74.5 | -127.5 | 134.2 | 0 | 0 | 109.7 | ||||
| 426 | S | 40.3 | Very low | 49.3 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | 73.5 | 95.6 | 159 | -163.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 427 | L | 44.6 | Very low | 48.6 | Very low | 167 Ų | 167 | 149.5 Ų | 149.5 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | -171.4 | 135 | 95.1 | -87.1 | 173.4 | 0 | 0 | 0 | 110.6 | |||||
| 428 | S | 41.8 | Very low | 48.4 | Very low | 105 Ų | 105 | 156.6 Ų | 156.6 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -82.9 | 154.7 | -166.7 | 50.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 429 | D | 41.7 | Very low | 47.9 | Very low | 150 Ų | 150 | 159.7 Ų | 159.7 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | 81.7 | 99 | 140.3 | -150 | 18.7 | 0 | 0 | 0 | 117.8 | ||||
| 430 | I | 43.9 | Very low | 47 | Very low | 155 Ų | 155 | 163.9 Ų | 163.9 | 80% | 0.795 | 83% | 0.83 | S | S | * | * | -174.4 | 110 | 111.4 | -168.1 | 143.1 | 0 | 0 | 0 | 112 | |||||
| 431 | S | 43.7 | Very low | 46.7 | Very low | 95 Ų | 95 | 158.1 Ų | 158.1 | 66% | 0.664 | 83% | 0.827 | S | S | * | * | trans | 29.8 | 118.9 | 148.4 | 65.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 432 | E | 52.5 | Low | 46.6 | Very low | 195 Ų | 195 | 161.9 Ų | 161.9 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | trans | -151.5 | 130.5 | 132.9 | -101.5 | -169.6 | 173.7 | 0 | 0 | 111.4 | ||||
| 433 | P | 46.9 | Very low | 47 | Very low | 118 Ų | 118 | 163.9 Ų | 163.9 | 77% | 0.766 | 83% | 0.83 | S | S | * | * | trans | -97.6 | 127.4 | -175.3 | 34.8 | -30.1 | 0 | 0 | 0 | 114.4 | ||||
| 434 | R | 46.5 | Very low | 47.3 | Very low | 239 Ų | 239 | 162.2 Ų | 162.2 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | 45.6 | 104.7 | 139.3 | -67.7 | -177.1 | 156 | -174.3 | -5.4 | 119.2 | R436 | R434-R436 PolarHBondContact O-N 2.73Š| ||
| 435 | S | 48.6 | Very low | 47.1 | Very low | 126 Ų | 126 | 160.1 Ų | 160.1 | 88% | 0.881 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -51 | 125.9 | 161.7 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 436 | R | 52.4 | Low | 47.6 | Very low | 240 Ų | 240 | 160.2 Ų | 160.2 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 130.2 | 170.9 | -78.2 | 178.7 | 163 | 160.4 | -4.1 | 111.8 | R434 | R434-R436 PolarHBondContact O-N 2.73Š|
| 437 | K | 46.2 | Very low | 48 | Very low | 204 Ų | 204 | 164.5 Ų | 164.5 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 128.8 | 164.9 | -91.1 | 168.1 | 168.4 | 169.2 | 0 | 111.3 | ||
| 438 | K | 55.5 | Low | 48.6 | Very low | 212 Ų | 212 | 165.7 Ų | 165.7 | 92% | 0.922 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 117.5 | 164.7 | -68.2 | -176.1 | -176.2 | -177.7 | 0 | 109.5 | ||
| 439 | V | 50.9 | Low | 49.3 | Very low | 139 Ų | 139 | 165.5 Ų | 165.5 | 84% | 0.842 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 132.6 | 166.4 | 173.4 | 0 | 0 | 0 | 0 | 107.8 | ||
| 440 | R | 40.4 | Very low | 49.8 | Very low | 227 Ų | 227 | 170 Ų | 170 | 86% | 0.857 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 123.9 | -176.8 | 177.6 | 175.5 | 170.4 | 174.6 | -2.4 | 109.7 | ||
| 441 | A | 53 | Low | 50.1 | Low | 96 Ų | 96 | 170.8 Ų | 170.8 | 79% | 0.793 | 86% | 0.861 | S | S | * | * | trans | -126.1 | 136 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 442 | K | 47.3 | Very low | 50.4 | Low | 181 Ų | 181 | 174.7 Ų | 174.7 | 79% | 0.787 | 87% | 0.872 | S | S | * | * | trans | -90.3 | 141.1 | -178.1 | -63 | 167.7 | 170.9 | -180 | 0 | 109.5 | ||||
| 443 | I | 51.1 | Low | 50.3 | Low | 163 Ų | 163 | 173.6 Ų | 173.6 | 84% | 0.836 | 87% | 0.869 | S | S | * | * | trans | -160 | 99.8 | 155.4 | -87.2 | 124.5 | 0 | 0 | 0 | 103.1 | ||||
| 444 | S | 50.5 | Low | 50.5 | Low | 108 Ų | 108 | 176.9 Ų | 176.9 | 76% | 0.755 | 88% | 0.875 | S | S | * | * | 59.9 | 94.7 | 83.3 | -157.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 445 | D | 43.5 | Very low | 50.7 | Low | 155 Ų | 155 | 173 Ų | 173 | 83% | 0.829 | 87% | 0.874 | S | S | * | * | trans | -48.4 | 139.4 | 153.5 | -108.4 | -25 | 0 | 0 | 0 | 110.6 | ||||
| 446 | E | 57.6 | Low | 50.9 | Low | 189 Ų | 189 | 176.1 Ų | 176.1 | 88% | 0.883 | 87% | 0.873 | S | S | * | * | trans | -160.1 | 143.9 | 138.4 | -104.5 | 177.4 | -161.3 | 0 | 0 | 108.9 | ||||
| 447 | E | 48.6 | Very low | 50.8 | Low | 191 Ų | 191 | 171.6 Ų | 171.6 | 89% | 0.893 | 87% | 0.871 | S | S | * | * | trans | -62.2 | 159.2 | -168.1 | -55 | -179.4 | 157.1 | 0 | 0 | 113.8 | ||||
| 448 | E | 58.4 | Low | 51.1 | Low | 191 Ų | 191 | 169.1 Ų | 169.1 | 89% | 0.893 | 87% | 0.87 | S | S | * | * | 170.7 | 139 | 113.7 | -163.2 | 157.3 | -163.7 | 0 | 0 | 110.9 | |||||
| 449 | S | 56.6 | Low | 50.7 | Low | 102 Ų | 102 | 165.5 Ų | 165.5 | 71% | 0.713 | 87% | 0.865 | S | S | * | * | trans | -68.9 | 148.5 | -175.2 | 41 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 450 | D | 51.1 | Low | 50.7 | Low | 244 Ų | 244 | 167.9 Ų | 167.9 | 100% | 1.305 | 87% | 0.868 | S | S | * | * | trans | -154.9 | 0 | 130.4 | -119.5 | -12.2 | 0 | 0 | 0 | 110 |
Retrieved 450 of 450 residues in 709.4 ms
(Link to these results)