| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.1 | Very low | 52 | Low | 245 Ų | 245 | 180.1 Ų | 180.1 | 100% | 1.207 | 85% | 0.851 | S | S | * | * | 0 | 94.9 | 0 | -77.2 | 178.5 | 169.9 | 0 | 0 | 108.1 | |||||
| 2 | V | 50.4 | Low | 52.1 | Low | 129 Ų | 129 | 172.2 Ų | 172.2 | 78% | 0.782 | 83% | 0.829 | S | S | * | * | trans | -141.1 | 107.7 | 170.6 | -177.7 | 0 | 0 | 0 | 0 | 106.2 | I4 | V2-I4 HydrophobicContact CG1-CG1 4.26Š| ||
| 3 | T | 51.3 | Low | 52.1 | Low | 129 Ų | 129 | 169.5 Ų | 169.5 | 79% | 0.791 | 83% | 0.834 | S | S | * | * | trans | -87.9 | 120.4 | 176.7 | 45.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 4 | I | 60.4 | Low | 51.9 | Low | 131 Ų | 131 | 169.4 Ų | 169.4 | 67% | 0.672 | 83% | 0.827 | S | S | * | * | trans | -114.4 | 108.6 | 171.7 | -60.5 | 177.2 | 0 | 0 | 0 | 107.9 | V2 H6 | V2-I4 HydrophobicContact CG1-CG1 4.26Å; I4-H6 PolarHBondContact O-N 3.27Å; I4-H6 PolarHBondContact O-ND1 3.22Å; I4-H6 VanDerWaalsContact O-ND1 3.17Å | ||
| 5 | N | 59.4 | Low | 51.5 | Low | 153 Ų | 153 | 169.8 Ų | 169.8 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -64.1 | 122.3 | 178.1 | -64.5 | -35.4 | 0 | 0 | 0 | 110.4 | ||||
| 6 | H | 49.2 | Very low | 50.8 | Low | 168 Ų | 168 | 169.4 Ų | 169.4 | 78% | 0.778 | 83% | 0.825 | S | S | * | * | trans | -109.8 | 98.1 | 171.8 | -78.1 | 70.4 | 0 | 0 | 0 | 108.8 | I4 | I4-H6 PolarHBondContact O-N 3.27Å; I4-H6 PolarHBondContact O-ND1 3.22Å; I4-H6 VanDerWaalsContact O-ND1 3.17Å | ||
| 7 | E | 49.9 | Very low | 50.6 | Low | 168 Ų | 168 | 166.1 Ų | 166.1 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -151 | 98.1 | 162 | -72.9 | -160.7 | 169.4 | 0 | 0 | 110.5 | ||||
| 8 | R | 51.3 | Low | 50.2 | Low | 242 Ų | 242 | 165.3 Ų | 165.3 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | trans | -146.4 | 109 | 143.2 | -72.1 | -161.4 | -176.5 | -170.9 | 1 | 107.9 | ||||
| 9 | Y | 54.4 | Low | 50 | Low | 208 Ų | 208 | 164.5 Ų | 164.5 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | trans | -74.7 | 117.9 | 174.5 | -80.6 | -93.7 | 0 | 0 | 0 | 109.9 | R11 | Y9-R11 PolarHBondContact O-N 3.31Š| ||
| 10 | D | 49.8 | Very low | 49.7 | Very low | 162 Ų | 162 | 162 Ų | 162 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | -69 | 115.9 | 164.3 | -73 | -38.3 | 0 | 0 | 0 | 109.6 | ||||
| 11 | R | 50.4 | Low | 49.2 | Very low | 246 Ų | 246 | 160 Ų | 160 | 93% | 0.928 | 82% | 0.816 | S | S | * | * | trans | -86.8 | 110.2 | 169.7 | -90.1 | -176.1 | 172.9 | -166.5 | -1.6 | 109.5 | Y9 | Y9-R11 PolarHBondContact O-N 3.31Š| ||
| 12 | S | 53.1 | Low | 49.4 | Very low | 85 Ų | 85 | 153.1 Ų | 153.1 | 59% | 0.594 | 79% | 0.79 | S | S | * | * | trans | -55.6 | 139.5 | 166.8 | 158.2 | 0 | 0 | 0 | 0 | 112.2 | F14 | S12-F14 VanDerWaalsContact C-N 3.26Å; S12-F14 PolarHBondContact O-N 3.23Å; S12-F14 PolarHBondContact OG-N 3.32Å | ||
| 13 | P | 52.8 | Low | 49.2 | Very low | 137 Ų | 137 | 153 Ų | 153 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -82.7 | 15.4 | 180 | 33.7 | -34 | 0 | 0 | 0 | 114.6 | ||
| 14 | F | 49.5 | Very low | 48.6 | Very low | 169 Ų | 169 | 159.1 Ų | 159.1 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -122.9 | 46 | -172.6 | -165.1 | -101.9 | 0 | 0 | 0 | 114.2 | S12 | S12-F14 VanDerWaalsContact C-N 3.26Å; S12-F14 PolarHBondContact O-N 3.23Å; S12-F14 PolarHBondContact OG-N 3.32Å | ||
| 15 | M | 46 | Very low | 47.7 | Very low | 175 Ų | 175 | 162 Ų | 162 | 86% | 0.862 | 80% | 0.801 | S | S | * | * | trans | -119.6 | 101.5 | 171.1 | -88.8 | -82.9 | 110.8 | 0 | 0 | 111.1 | S17 | M15-S17 PolarHBondContact O-N 2.83Š| ||
| 16 | E | 40.3 | Very low | 46.9 | Very low | 163 Ų | 163 | 160 Ų | 160 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -69.3 | 105.9 | 173.7 | -164.8 | 153.3 | -171.4 | 0 | 0 | 109.8 | Q18 | E16-Q18 PolarHBondContact O-N 2.9Š| ||
| 17 | S | 46.2 | Very low | 46.8 | Very low | 113 Ų | 113 | 160.7 Ų | 160.7 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -82.7 | 98.7 | 172.5 | 63.7 | 0 | 0 | 0 | 0 | 110.1 | M15 | M15-S17 PolarHBondContact O-N 2.83Š| ||
| 18 | Q | 44.3 | Very low | 46.5 | Very low | 152 Ų | 152 | 155.9 Ų | 155.9 | 71% | 0.71 | 79% | 0.791 | S | S | * | * | trans | -62.1 | 142.2 | 153.9 | -67.2 | -95.7 | -23 | 0 | 0 | 108.6 | E16 | E16-Q18 PolarHBondContact O-N 2.9Š| ||
| 19 | N | 46.9 | Very low | 46.1 | Very low | 151 Ų | 151 | 153.2 Ų | 153.2 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | 94.3 | 97.1 | 169.2 | -48.2 | -34.3 | 0 | 0 | 0 | 117.7 | ||||
| 20 | S | 42.9 | Very low | 45.7 | Very low | 114 Ų | 114 | 151.5 Ų | 151.5 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | 177.5 | 111.7 | 119.5 | -176 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 21 | S | 39.9 | Very low | 45.3 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -81.4 | 141.4 | 163.4 | -65.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 22 | P | 49.6 | Very low | 45 | Very low | 102 Ų | 102 | 143.1 Ų | 143.1 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | trans | -140.4 | 137.1 | 132.8 | 31.2 | -13.9 | 0 | 0 | 0 | 114.7 | ||||
| 23 | T | 45.6 | Very low | 44.6 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | trans | 66.9 | 95.4 | 138.6 | 59.6 | 0 | 0 | 0 | 0 | 120.4 | R25 | T23-R25 PolarHBondContact O-N 3.18Š| ||
| 24 | R | 38.3 | Very low | 44.3 | Very low | 258 Ų | 258 | 152.1 Ų | 152.1 | 97% | 0.974 | 80% | 0.796 | S | S | * | * | trans | -50 | 116.2 | 147.6 | -147.4 | -179.9 | -167.3 | -155.3 | 3.2 | 110.1 | ||||
| 25 | R | 42.1 | Very low | 43.9 | Very low | 192 Ų | 192 | 151.8 Ų | 151.8 | 73% | 0.725 | 80% | 0.802 | S | S | * | * | trans | -113.3 | 111.7 | 162 | -89.3 | -168.2 | 175.1 | -162.2 | 0 | 110 | T23 Y27 | T23-R25 PolarHBondContact O-N 3.18Å; R25-Y27 HydrophobicContact CB-CE2 4.01Å; R25-Y27 VanDerWaalsContact CD-OH 3.26Å; R25-Y27 WeakPolarHBondContact CD-OH 3.33Å; R25-Y27 PolarHBondContact NH1-OH 3.33Å; R25-Y27 VanDerWaalsContact NH1-OH 3.09Å | ||
| 26 | S | 42.3 | Very low | 43.9 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -69.8 | 132 | 160.5 | 50.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 27 | Y | 46.9 | Very low | 44.1 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -116.3 | 107.8 | 158.5 | -64.7 | -77.8 | 0 | 0 | 0 | 107 | R25 | R25-Y27 HydrophobicContact CB-CE2 4.01Å; R25-Y27 VanDerWaalsContact CD-OH 3.26Å; R25-Y27 WeakPolarHBondContact CD-OH 3.33Å; R25-Y27 PolarHBondContact NH1-OH 3.33Å; R25-Y27 VanDerWaalsContact NH1-OH 3.09Å | ||
| 28 | G | 43.9 | Very low | 44.1 | Very low | 66 Ų | 66 | 148.3 Ų | 148.3 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | trans | -79.5 | 163 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 29 | E | 42.8 | Very low | 44.1 | Very low | 186 Ų | 186 | 145 Ų | 145 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | 1.2 | 126.6 | 156.6 | -69.3 | 169.3 | 129.8 | 0 | 0 | 117.9 | ||||
| 30 | N | 46.3 | Very low | 44.1 | Very low | 173 Ų | 173 | 147.3 Ų | 147.3 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -147.5 | 109.1 | 141.4 | -88.9 | -45.5 | 0 | 0 | 0 | 109.3 | ||||
| 31 | A | 41.6 | Very low | 44 | Very low | 94 Ų | 94 | 153.4 Ų | 153.4 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -115.2 | 103.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 32 | V | 45 | Very low | 44.4 | Very low | 138 Ų | 138 | 152.4 Ų | 152.4 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -150.2 | 137.2 | 157.1 | -177 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 33 | R | 42.8 | Very low | 44.2 | Very low | 224 Ų | 224 | 158 Ų | 158 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | -69.5 | 147.4 | -177 | -58.6 | 164.8 | 173.4 | -174.8 | -4.1 | 112.2 | ||||
| 34 | H | 47.5 | Very low | 44.1 | Very low | 187 Ų | 187 | 155.2 Ų | 155.2 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | trans | -138 | 120.1 | 149.6 | -87.9 | -75.9 | 0 | 0 | 0 | 110.5 | ||||
| 35 | N | 41.9 | Very low | 44.5 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -74.4 | 144.9 | 166.7 | -73.2 | -42.8 | 0 | 0 | 0 | 109.8 | ||||
| 36 | A | 45 | Very low | 44.5 | Very low | 98 Ų | 98 | 145 Ų | 145 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -162.2 | 114.8 | 146 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 37 | D | 43.7 | Very low | 44.6 | Very low | 154 Ų | 154 | 149.6 Ų | 149.6 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | 13.4 | 125.7 | 149.9 | -68.6 | -46.1 | 0 | 0 | 0 | 122.1 | ||||
| 38 | S | 46.6 | Very low | 44.4 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | -157 | 113.2 | 124.8 | -92.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 39 | A | 45.6 | Very low | 44.5 | Very low | 81 Ų | 81 | 151.2 Ų | 151.2 | 67% | 0.669 | 81% | 0.814 | S | S | * | * | trans | -81.9 | 136.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 40 | H | 45.2 | Very low | 44.5 | Very low | 201 Ų | 201 | 149.9 Ų | 149.9 | 93% | 0.931 | 81% | 0.813 | S | S | * | * | trans | -147.4 | 100.8 | 144.5 | -87.6 | -69.3 | 0 | 0 | 0 | 109.5 | ||||
| 41 | R | 42 | Very low | 44.2 | Very low | 242 Ų | 242 | 152.1 Ų | 152.1 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | trans | -83.4 | 138.6 | 161.1 | -79.5 | 177.5 | 167.5 | -165.9 | -2.9 | 108.3 | ||||
| 42 | S | 47.1 | Very low | 44.4 | Very low | 98 Ų | 98 | 154 Ų | 154 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | -172 | 102.3 | 154.9 | 156.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 43 | Y | 45.5 | Very low | 44.3 | Very low | 218 Ų | 218 | 156.5 Ų | 156.5 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | 58.6 | 110.3 | 137.2 | -51.1 | -69.8 | 0 | 0 | 0 | 120.6 | ||||
| 44 | G | 44.1 | Very low | 44.3 | Very low | 67 Ų | 67 | 153.1 Ų | 153.1 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | -73.2 | 158 | 144.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 45 | V | 46.6 | Very low | 44.1 | Very low | 142 Ų | 142 | 151.3 Ų | 151.3 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | 172.1 | 107.6 | 144.4 | 158.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 46 | S | 42.8 | Very low | 44.3 | Very low | 94 Ų | 94 | 151.2 Ų | 151.2 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | 76.2 | 143.1 | 127.6 | -147 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 47 | R | 43.9 | Very low | 44.2 | Very low | 207 Ų | 207 | 152.3 Ų | 152.3 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | 83.5 | 121.3 | 157.9 | -41.6 | -176.5 | 177.2 | 177.3 | -4.1 | 113.1 | ||||
| 48 | H | 43.3 | Very low | 44.1 | Very low | 187 Ų | 187 | 148.6 Ų | 148.6 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | -151.4 | 155.5 | 58.4 | -54.9 | -54.8 | 0 | 0 | 0 | 114.1 | |||||
| 49 | S | 45.4 | Very low | 44 | Very low | 97 Ų | 97 | 148.7 Ų | 148.7 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -90.5 | 155.5 | -166.6 | 48.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 50 | N | 42.1 | Very low | 43.9 | Very low | 158 Ų | 158 | 153.9 Ų | 153.9 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | 61.5 | 121.4 | 145.9 | -62.4 | -25.1 | 0 | 0 | 0 | 118.9 | ||||
| 51 | R | 41.6 | Very low | 43.8 | Very low | 219 Ų | 219 | 149.4 Ų | 149.4 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | -171.3 | 116.5 | 103.5 | -156 | 155.3 | -176.6 | 176 | -1.4 | 114 | |||||
| 52 | E | 44.1 | Very low | 43.9 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 63% | 0.626 | 78% | 0.775 | S | S | * | * | trans | 45.5 | 116.9 | 143.5 | -69 | 163.7 | 147.3 | 0 | 0 | 122.4 | ||||
| 53 | K | 44.8 | Very low | 43.9 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | -74 | 139.2 | 149.6 | -66.1 | 177.6 | 175.1 | -179.4 | 0 | 109.5 | ||||
| 54 | H | 42.8 | Very low | 43.9 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | trans | -136.1 | 106.8 | 155.7 | -85.4 | -74.7 | 0 | 0 | 0 | 109.6 | ||||
| 55 | D | 41.9 | Very low | 44.1 | Very low | 149 Ų | 149 | 147 Ų | 147 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -84.8 | 117.8 | 156 | -67.3 | -55.6 | 0 | 0 | 0 | 107.1 | ||||
| 56 | L | 45.9 | Very low | 44 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -147.1 | 118.9 | 157.8 | -77.6 | -178.2 | 0 | 0 | 0 | 110.6 | ||||
| 57 | S | 44 | Very low | 44.2 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -51.5 | 141.5 | 163.5 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 58 | G | 41.3 | Very low | 43.9 | Very low | 76 Ų | 76 | 145.9 Ų | 145.9 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | -169.9 | 89 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 59 | S | 44.4 | Very low | 44 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -69.3 | 128.6 | 169.7 | -57 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 60 | Y | 42.5 | Very low | 43.7 | Very low | 191 Ų | 191 | 145 Ų | 145 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | -153.2 | 113.4 | 153.5 | 172.3 | -109.2 | 0 | 0 | 0 | 110.3 | K62 | Y60-K62 HydrophobicContact CE1-CB 4.3Å; Y60-K62 HydrophobicContact CE2-CD 4.4Å; Y60-K62 WeakPolarHBondContact OH-CD 3.42Å | ||
| 61 | S | 43.4 | Very low | 43.8 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | -86.7 | 130.3 | 174 | -52.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 62 | K | 44.3 | Very low | 44 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | trans | -163.1 | 110.3 | 144.8 | -135.8 | 131.3 | 177.1 | -173.4 | 0 | 114.4 | Y60 | Y60-K62 HydrophobicContact CE1-CB 4.3Å; Y60-K62 HydrophobicContact CE2-CD 4.4Å; Y60-K62 WeakPolarHBondContact OH-CD 3.42Å | ||
| 63 | S | 47.1 | Very low | 44.1 | Very low | 92 Ų | 92 | 143.5 Ų | 143.5 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | trans | 55.1 | 119.7 | 132.7 | 62.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 64 | K | 45.6 | Very low | 43.8 | Very low | 201 Ų | 201 | 142.3 Ų | 142.3 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | 55.1 | 112.8 | 121.3 | -65.3 | 176.5 | 173.7 | -178.9 | 0 | 118.6 | |||||
| 65 | S | 49.2 | Very low | 43.9 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | -178.9 | 146.2 | 108.4 | -69.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 66 | P | 43.1 | Very low | 44 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -99.2 | 125.6 | -175.2 | 35.1 | -25 | 0 | 0 | 0 | 111.6 | ||||
| 67 | S | 46.9 | Very low | 43.7 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -145.7 | 132.9 | 164.4 | 59 | 0 | 0 | 0 | 0 | 111.3 | S69 | S67-S69 PolarHBondContact O-N 3.43Š| ||
| 68 | L | 38.3 | Very low | 43.9 | Very low | 176 Ų | 176 | 146.2 Ų | 146.2 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -56.5 | 120 | -176.9 | -66.4 | 145.9 | 0 | 0 | 0 | 111.6 | ||||
| 69 | S | 46 | Very low | 44.1 | Very low | 104 Ų | 104 | 150.4 Ų | 150.4 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -140.5 | 111.5 | 154.9 | 62.6 | 0 | 0 | 0 | 0 | 108.4 | S67 S71 | S67-S69 PolarHBondContact O-N 3.43Å; S69-S71 PolarHBondContact O-N 3.02Å; S69-S71 VanDerWaalsContact O-N 3.1Å | ||
| 70 | I | 38.7 | Very low | 44.4 | Very low | 162 Ų | 162 | 153.7 Ų | 153.7 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -50.7 | 111.7 | 162.7 | -81.5 | 85.6 | 0 | 0 | 0 | 107.2 | ||||
| 71 | S | 44.8 | Very low | 44.6 | Very low | 101 Ų | 101 | 149.9 Ų | 149.9 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -150.2 | 122 | 161.9 | -170.2 | 0 | 0 | 0 | 0 | 108.7 | S69 K73 | S69-S71 PolarHBondContact O-N 3.02Å; S69-S71 VanDerWaalsContact O-N 3.1Å; S71-K73 PolarHBondContact O-N 2.95Å | ||
| 72 | H | 44.5 | Very low | 44.9 | Very low | 182 Ų | 182 | 151 Ų | 151 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -45.8 | 114.4 | -173.2 | -84.2 | -94 | 0 | 0 | 0 | 112 | N74 | H72-N74 PolarHBondContact O-N 3.43Š| ||
| 73 | K | 46.2 | Very low | 45.3 | Very low | 197 Ų | 197 | 151.1 Ų | 151.1 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -66.2 | 109.9 | 165.6 | -75.1 | -174 | 177.9 | -178.9 | 0 | 108.1 | S71 E75 | S71-K73 PolarHBondContact O-N 2.95Å; K73-E75 VanDerWaalsContact C-N 3.29Å; K73-E75 PolarHBondContact O-N 3.16Å | ||
| 74 | N | 39.8 | Very low | 45.5 | Very low | 164 Ų | 164 | 154.8 Ų | 154.8 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -52.9 | 88.2 | 164 | -144.4 | -1.1 | 0 | 0 | 0 | 108.4 | H72 G76 | H72-N74 PolarHBondContact O-N 3.43Å; N74-G76 PolarHBondContact O-N 3.46Å | ||
| 75 | E | 44.9 | Very low | 46.1 | Very low | 183 Ų | 183 | 150.6 Ų | 150.6 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -72.8 | 115.8 | 167.8 | -82.8 | -165.7 | 166.9 | 0 | 0 | 108.3 | K73 R77 | K73-E75 VanDerWaalsContact C-N 3.29Å; K73-E75 PolarHBondContact O-N 3.16Å; E75-R77 PolarHBondContact O-N 2.98Å | ||
| 76 | G | 43.7 | Very low | 46.5 | Very low | 53 Ų | 53 | 150.2 Ų | 150.2 | 55% | 0.546 | 77% | 0.771 | S | S | . | * | trans | -49.9 | 136 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | N74 H78 | N74-G76 PolarHBondContact O-N 3.46Å; G76-H78 VanDerWaalsContact C-N 3.3Å; G76-H78 PolarHBondContact O-CD2 2.96Å; G76-H78 PolarHBondContact O-N 3.43Å | ||
| 77 | R | 39.8 | Very low | 47.4 | Very low | 250 Ų | 250 | 147.5 Ų | 147.5 | 94% | 0.943 | 75% | 0.747 | S | S | * | * | trans | -49 | 89.2 | 168.2 | -65.5 | 177.2 | -176.6 | -158.8 | 0.3 | 110.3 | E75 H79 | E75-R77 PolarHBondContact O-N 2.98Å; R77-H79 PolarHBondContact O-N 3.48Å | ||
| 78 | H | 48.2 | Very low | 48.3 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | trans | -76.9 | 121.4 | 164.5 | -83.6 | -80.8 | 0 | 0 | 0 | 108.6 | G76 K80 | G76-H78 VanDerWaalsContact C-N 3.3Å; G76-H78 PolarHBondContact O-CD2 2.96Å; G76-H78 PolarHBondContact O-N 3.43Å; H78-K80 PolarHBondContact O-N 3.41Å | ||
| 79 | H | 45.4 | Very low | 50.3 | Low | 164 Ų | 164 | 143.4 Ų | 143.4 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | trans | -36.5 | 110.7 | 179.3 | -66.2 | -86.7 | 0 | 0 | 0 | 113.9 | R77 T81 | R77-H79 PolarHBondContact O-N 3.48Å; H79-T81 HydrophobicContact CB-CG2 4.2Å; H79-T81 PolarHBondContact O-N 2.94Å | ||
| 80 | K | 51.1 | Low | 51.8 | Low | 198 Ų | 198 | 143.4 Ų | 143.4 | 86% | 0.861 | 71% | 0.711 | S | S | * | * | trans | -68.2 | 77.3 | 160.4 | -79.3 | -178.4 | 174.6 | -179.5 | 0 | 108.8 | H78 | H78-K80 PolarHBondContact O-N 3.41Š| ||
| 81 | T | 45.4 | Very low | 53.8 | Low | 112 Ų | 112 | 140.9 Ų | 140.9 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | trans | -117.5 | 116.1 | 171 | 52.3 | 0 | 0 | 0 | 0 | 108.8 | H79 | H79-T81 HydrophobicContact CB-CG2 4.2Å; H79-T81 PolarHBondContact O-N 2.94Å | ||
| 82 | N | 49.6 | Very low | 55.5 | Low | 129 Ų | 129 | 138.5 Ų | 138.5 | 69% | 0.69 | 67% | 0.673 | S | S | * | * | trans | 72.1 | 56.7 | 167.9 | -85.7 | -2 | 0 | 0 | 0 | 119.4 | F84 | N82-F84 PolarHBondContact O-N 3.24Š| ||
| 83 | E | 53.8 | Low | 57 | Low | 165 Ų | 165 | 136 Ų | 136 | 77% | 0.771 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -75.1 | -10 | 160.9 | -76.5 | -176.3 | 149.6 | 0 | 0 | 113.7 | N85 H87 | E83-N85 VanDerWaalsContact C-N 3.32Å; E83-N85 PolarHBondContact O-N 3.18Å; E83-H87 PolarHBondContact O-CE1 2.96Å |
| 84 | F | 51.6 | Low | 58.8 | Low | 170 Ų | 170 | 132.2 Ų | 132.2 | 75% | 0.746 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -84.2 | 9.9 | -172.3 | -143.3 | -95.1 | 0 | 0 | 0 | 115.6 | N82 H87 | N82-F84 PolarHBondContact O-N 3.24Å; F84-H87 VanDerWaalsContact C-CE1 3.47Å; F84-H87 WeakPolarHBondContact CA-NE2 3.48Å; F84-H87 PolarHBondContact O-NE2 2.92Å |
| 85 | N | 56.8 | Low | 61 | Low | 112 Ų | 112 | 131 Ų | 131 | 60% | 0.599 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -127 | 0 | 179.5 | -88.6 | -46.7 | 0 | 0 | 0 | 114.3 | E83 H87 | E83-N85 VanDerWaalsContact C-N 3.32Å; E83-N85 PolarHBondContact O-N 3.18Å; N85-H87 VanDerWaalsContact C-N 3.27Å; N85-H87 PolarHBondContact O-N 2.88Å |
| 86 | H | 58.8 | Low | 62.8 | Low | 110 Ų | 110 | 128.3 Ų | 128.3 | 51% | 0.509 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -81.1 | -1.3 | -177 | -115.7 | 59 | 0 | 0 | 0 | 114.4 | Q88 F92 | H86-Q88 VanDerWaalsContact C-N 3.33Å; H86-Q88 PolarHBondContact O-N 3.31Å; H86-F92 WeakPolarHBondContact O-CB 3.37Å; H86-F92 WeakPolarHBondContact O-CG 3.36Å |
| 87 | H | 62 | Low | 64.5 | Low | 73 Ų | 73 | 132.7 Ų | 132.7 | 34% | 0.338 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -83.4 | -5.3 | -174.3 | -10.3 | -65.5 | 0 | 0 | 0 | 114.1 | E83 F84 N85 F92 | E83-H87 PolarHBondContact O-CE1 2.96Å; F84-H87 VanDerWaalsContact C-CE1 3.47Å; F84-H87 WeakPolarHBondContact CA-NE2 3.48Å; F84-H87 PolarHBondContact O-NE2 2.92Å; N85-H87 VanDerWaalsContact C-N 3.27Å; N85-H87 PolarHBondContact O-N 2.88Å; H87-F92 HydrophobicContact CB-CE1 4.19Å; H87-F92 HydrophobicContact CB-CZ 4.24Å; H87-F92 VanDerWaalsContact O-CD1 3.27Å; H87-F92 WeakPolarHBondContact O-CD1 3.4Å; H87-F92 WeakPolarHBondContact O-CE1 3.49Å |
| 88 | Q | 66.2 | Low | 66.7 | Low | 159 Ų | 159 | 128.2 Ų | 128.2 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -116.2 | 2.9 | -174.2 | -60.9 | -172.2 | 19.3 | 0 | 0 | 113.9 | H86 | H86-Q88 VanDerWaalsContact C-N 3.33Å; H86-Q88 PolarHBondContact O-N 3.31Å |
| 89 | T | 79.6 | Confident | 68.4 | Low | 46 Ų | 46 | 126.3 Ų | 126.3 | 28% | 0.282 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -79.2 | 145.5 | 177 | 66.4 | 0 | 0 | 0 | 0 | 111 | E91 F92 W93 | T89-E91 PolarHBondContact O-N 2.99Å; T89-F92 WeakPolarHBondContact O-CB 3.5Å; T89-F92 PolarHBondContact O-N 3.39Å; T89-F92 VanDerWaalsContact O-N 3.15Å; T89-F92 WeakPolarHBondContact OG1-CB 3.31Å; T89-F92 PolarHBondContact OG1-N 2.87Å; T89-W93 VanDerWaalsContact O-CD1 3.32Å; T89-W93 PolarHBondContact O-N 3.26Å |
| 90 | P | 77.7 | Confident | 69.9 | Low | 103 Ų | 103 | 125.5 Ų | 125.5 | 67% | 0.669 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -54.5 | -35.3 | 172 | -26.9 | 35.2 | 0 | 0 | 0 | 113 | F92 W93 E94 | P90-F92 PolarHBondContact O-N 3.33Å; P90-W93 PolarHBondContact O-N 3.3Å; P90-E94 PolarHBondContact O-N 3.34Å |
| 91 | E | 80 | Confident | 71.2 | Confident | 110 Ų | 110 | 122.9 Ų | 122.9 | 51% | 0.514 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.3 | -38.5 | 177.8 | -162.2 | -162.2 | 143.1 | 0 | 0 | 112.4 | T89 E94 R95 | T89-E91 PolarHBondContact O-N 2.99Å; E91-E94 PolarHBondContact O-N 2.88Å; E91-R95 WeakPolarHBondContact O-CB 3.37Å; E91-R95 PolarHBondContact O-N 3.45Å; E91-R95 IonicContact OE1-NH2 2.98Å; E91-R95 PolarHBondContact OE1-NH2 3.45Å |
| 92 | F | 81.3 | Confident | 72.9 | Confident | 51 Ų | 51 | 127.4 Ų | 127.4 | 22% | 0.224 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -61.5 | -44.3 | 174.3 | 170.5 | -96.5 | 0 | 0 | 0 | 111.6 | H86 H87 T89 P90 R95 R96 | H86-F92 WeakPolarHBondContact O-CB 3.37Å; H86-F92 WeakPolarHBondContact O-CG 3.36Å; H87-F92 HydrophobicContact CB-CE1 4.19Å; H87-F92 HydrophobicContact CB-CZ 4.24Å; H87-F92 VanDerWaalsContact O-CD1 3.27Å; H87-F92 WeakPolarHBondContact O-CD1 3.4Å; H87-F92 WeakPolarHBondContact O-CE1 3.49Å; T89-F92 WeakPolarHBondContact O-CB 3.5Å; T89-F92 PolarHBondContact O-N 3.39Å; T89-F92 VanDerWaalsContact O-N 3.15Å; T89-F92 WeakPolarHBondContact OG1-CB 3.31Å; T89-F92 PolarHBondContact OG1-N 2.87Å; P90-F92 PolarHBondContact O-N 3.33Å; F92-R95 PolarHBondContact O-N 2.97Å; F92-R96 WeakPolarHBondContact O-CB 3.07Å; F92-R96 PolarHBondContact O-N 2.9Å |
| 93 | W | 76.2 | Confident | 73.9 | Confident | 129 Ų | 129 | 124.4 Ų | 124.4 | 49% | 0.489 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.6 | -37.7 | 177.6 | -69.6 | 113.5 | 0 | 0 | 0 | 112.6 | T89 P90 R96 R97 | T89-W93 VanDerWaalsContact O-CD1 3.32Å; T89-W93 PolarHBondContact O-N 3.26Å; P90-W93 PolarHBondContact O-N 3.3Å; W93-R96 PolarHBondContact O-N 2.98Å; W93-R97 WeakPolarHBondContact O-CB 3.48Å; W93-R97 PolarHBondContact O-N 3.17Å |
| 94 | E | 83.3 | Confident | 74.6 | Confident | 118 Ų | 118 | 119.5 Ų | 119.5 | 55% | 0.551 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.2 | -46.1 | 173.2 | -80.2 | 177.6 | -179.2 | 0 | 0 | 112.3 | P90 E91 R96 R97 K98 | P90-E94 PolarHBondContact O-N 3.34Å; E91-E94 PolarHBondContact O-N 2.88Å; E94-R96 VanDerWaalsContact C-N 3.3Å; E94-R96 PolarHBondContact O-N 3.39Å; E94-R97 PolarHBondContact O-N 3Å; E94-K98 WeakPolarHBondContact O-CB 3.45Å; E94-K98 PolarHBondContact O-N 3.39Å |
| 95 | R | 85 | Confident | 75.4 | Confident | 138 Ų | 138 | 115.4 Ų | 115.4 | 52% | 0.521 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58.4 | -43 | 175.2 | -169.1 | -176.5 | -60.6 | 176.1 | 2.8 | 111.2 | E91 F92 K98 M99 | E91-R95 WeakPolarHBondContact O-CB 3.37Å; E91-R95 PolarHBondContact O-N 3.45Å; E91-R95 IonicContact OE1-NH2 2.98Å; E91-R95 PolarHBondContact OE1-NH2 3.45Å; F92-R95 PolarHBondContact O-N 2.97Å; R95-K98 PolarHBondContact O-N 2.92Å; R95-M99 PolarHBondContact O-N 3.43Å |
| 96 | R | 84.3 | Confident | 75.7 | Confident | 127 Ų | 127 | 113.5 Ų | 113.5 | 48% | 0.479 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.9 | -37 | 177.1 | -165.8 | 170.1 | -171.8 | 135.2 | 0.7 | 112.8 | F92 W93 E94 M99 R100 | F92-R96 WeakPolarHBondContact O-CB 3.07Å; F92-R96 PolarHBondContact O-N 2.9Å; W93-R96 PolarHBondContact O-N 2.98Å; E94-R96 VanDerWaalsContact C-N 3.3Å; E94-R96 PolarHBondContact O-N 3.39Å; R96-M99 PolarHBondContact O-N 3.06Å; R96-R100 PolarHBondContact O-N 3.15Å |
| 97 | R | 78.4 | Confident | 75.9 | Confident | 144 Ų | 144 | 113.3 Ų | 113.3 | 54% | 0.543 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.9 | -47.2 | 172.2 | -171.9 | -172.6 | -63.6 | 116 | -1.1 | 110.5 | W93 E94 M99 R100 E101 | W93-R97 WeakPolarHBondContact O-CB 3.48Å; W93-R97 PolarHBondContact O-N 3.17Å; E94-R97 PolarHBondContact O-N 3Å; R97-M99 VanDerWaalsContact C-N 3.33Å; R97-M99 PolarHBondContact O-N 3.33Å; R97-R100 PolarHBondContact O-N 3.41Å; R97-R100 VanDerWaalsContact O-N 3.14Å; R97-E101 PolarHBondContact O-N 2.8Å |
| 98 | K | 86.2 | Confident | 75.9 | Confident | 157 Ų | 157 | 113.7 Ų | 113.7 | 68% | 0.683 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.1 | -36.6 | 177.5 | -166.4 | 174 | -175.7 | 175.2 | 0 | 112.6 | E94 R95 R102 | E94-K98 WeakPolarHBondContact O-CB 3.45Å; E94-K98 PolarHBondContact O-N 3.39Å; R95-K98 PolarHBondContact O-N 2.92Å; K98-R102 WeakPolarHBondContact O-CB 3.37Å; K98-R102 PolarHBondContact O-N 3.31Å |
| 99 | M | 82.7 | Confident | 75.7 | Confident | 137 Ų | 137 | 110.8 Ų | 110.8 | 68% | 0.675 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64 | -43 | 171.6 | -83 | -166.8 | 166.5 | 0 | 0 | 112.4 | R95 R96 R97 R102 A103 | R95-M99 PolarHBondContact O-N 3.43Å; R96-M99 PolarHBondContact O-N 3.06Å; R97-M99 VanDerWaalsContact C-N 3.33Å; R97-M99 PolarHBondContact O-N 3.33Å; M99-R102 PolarHBondContact O-N 3.45Å; M99-A103 WeakPolarHBondContact O-CB 3.39Å; M99-A103 PolarHBondContact O-N 3.47Å |
| 100 | R | 78.7 | Confident | 75 | Confident | 148 Ų | 148 | 117.2 Ų | 117.2 | 56% | 0.558 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.3 | -42.5 | 174.7 | -87.6 | -172.2 | -68.3 | -109.5 | -2.4 | 112.5 | R96 R97 R102 A103 G104 | R96-R100 PolarHBondContact O-N 3.15Å; R97-R100 PolarHBondContact O-N 3.41Å; R97-R100 VanDerWaalsContact O-N 3.14Å; R100-R102 VanDerWaalsContact C-N 3.33Å; R100-A103 PolarHBondContact O-N 2.99Å; R100-G104 PolarHBondContact O-N 3.4Å |
| 101 | E | 76.7 | Confident | 74.5 | Confident | 142 Ų | 142 | 118 Ų | 118 | 66% | 0.664 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.8 | -43.1 | 176 | -170.3 | -178.7 | 174.3 | 0 | 0 | 110.8 | R97 A103 G104 A105 | R97-E101 PolarHBondContact O-N 2.8Å; E101-A103 PolarHBondContact O-N 2.96Å; E101-G104 PolarHBondContact O-N 3.44Å; E101-A105 VanDerWaalsContact O-CB 3.24Å; E101-A105 WeakPolarHBondContact O-CB 3.37Å; E101-A105 PolarHBondContact O-N 2.89Å |
| 102 | R | 82 | Confident | 73.6 | Confident | 207 Ų | 207 | 121.9 Ų | 121.9 | 78% | 0.781 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.9 | -41.1 | 174.1 | -173.9 | 176.7 | -177.2 | 178.3 | 0.9 | 112.7 | K98 M99 R100 | K98-R102 WeakPolarHBondContact O-CB 3.37Å; K98-R102 PolarHBondContact O-N 3.31Å; M99-R102 PolarHBondContact O-N 3.45Å; R100-R102 VanDerWaalsContact C-N 3.33Å |
| 103 | A | 70.1 | Confident | 72.7 | Confident | 66 Ų | 66 | 128.4 Ų | 128.4 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -73 | -32.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M99 R100 E101 S106 | M99-A103 WeakPolarHBondContact O-CB 3.39Å; M99-A103 PolarHBondContact O-N 3.47Å; R100-A103 PolarHBondContact O-N 2.99Å; E101-A103 PolarHBondContact O-N 2.96Å; A103-S106 PolarHBondContact O-OG 3.43Å |
| 104 | G | 68.4 | Low | 72.2 | Confident | 63 Ų | 63 | 126.2 Ų | 126.2 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -81.8 | -20 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R100 E101 S106 | R100-G104 PolarHBondContact O-N 3.4Å; E101-G104 PolarHBondContact O-N 3.44Å; G104-S106 VanDerWaalsContact C-N 3.35Å |
| 105 | A | 68.2 | Low | 71.4 | Confident | 83 Ų | 83 | 127.8 Ų | 127.8 | 69% | 0.686 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.9 | -27.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E101 V107 | E101-A105 VanDerWaalsContact O-CB 3.24Å; E101-A105 WeakPolarHBondContact O-CB 3.37Å; E101-A105 PolarHBondContact O-N 2.89Å; A105-V107 PolarHBondContact O-N 2.96Å |
| 106 | S | 64.2 | Low | 70.8 | Confident | 72 Ų | 72 | 126.5 Ų | 126.5 | 50% | 0.503 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -82 | 108.8 | 164.5 | 51.3 | 0 | 0 | 0 | 0 | 108.6 | A103 G104 N108 | A103-S106 PolarHBondContact O-OG 3.43Å; G104-S106 VanDerWaalsContact C-N 3.35Å; S106-N108 PolarHBondContact O-N 3.34Å |
| 107 | V | 62.4 | Low | 70.1 | Confident | 107 Ų | 107 | 126.2 Ų | 126.2 | 65% | 0.648 | 66% | 0.663 | S | S | * | * | trans | -59.2 | 106.9 | 165.3 | -176.6 | 0 | 0 | 0 | 0 | 106.5 | A105 T109 | A105-V107 PolarHBondContact O-N 2.96Å; V107-T109 HydrophobicContact CB-CG2 4.29Å; V107-T109 HydrophobicContact CG1-CG2 3.62Å; V107-T109 PolarHBondContact O-N 3Å | ||
| 108 | N | 62.9 | Low | 69.1 | Low | 80 Ų | 80 | 128.3 Ų | 128.3 | 43% | 0.428 | 68% | 0.676 | S | S | . | * | trans | -81.1 | 75.9 | 178.2 | -161.7 | 1.9 | 0 | 0 | 0 | 108.5 | S106 Q110 I111 W112 | S106-N108 PolarHBondContact O-N 3.34Å; N108-Q110 PolarHBondContact O-N 3.3Å; N108-I111 PolarHBondContact O-N 2.75Å; N108-W112 PolarHBondContact O-N 2.66Å; N108-W112 VanDerWaalsContact O-N 3.11Å | ||
| 109 | T | 62.1 | Low | 68.1 | Low | 98 Ų | 98 | 129.6 Ų | 129.6 | 60% | 0.601 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -8.4 | -177.8 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | V107 W112 | V107-T109 HydrophobicContact CB-CG2 4.29Å; V107-T109 HydrophobicContact CG1-CG2 3.62Å; V107-T109 PolarHBondContact O-N 3Å; T109-W112 WeakPolarHBondContact CA-O 3.45Å |
| 110 | Q | 65.3 | Low | 66.4 | Low | 181 Ų | 181 | 130.3 Ų | 130.3 | 85% | 0.846 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -16 | -179.4 | -151.3 | 161 | 16.5 | 0 | 0 | 113.3 | N108 | N108-Q110 PolarHBondContact O-N 3.3Š|
| 111 | I | 65.5 | Low | 64.8 | Low | 120 Ų | 120 | 128.4 Ų | 128.4 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | -30.8 | -179.9 | -57.9 | 178.5 | 0 | 0 | 0 | 111.3 | N108 | N108-I111 PolarHBondContact O-N 2.75Š|
| 112 | W | 62.2 | Low | 63.2 | Low | 191 Ų | 191 | 129.4 Ų | 129.4 | 72% | 0.723 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -121.9 | 125 | 179.8 | -58.8 | 99.6 | 0 | 0 | 0 | 109.4 | N108 T109 | N108-W112 PolarHBondContact O-N 2.66Å; N108-W112 VanDerWaalsContact O-N 3.11Å; T109-W112 WeakPolarHBondContact CA-O 3.45Å |
| 113 | E | 62.4 | Low | 61.4 | Low | 188 Ų | 188 | 124 Ų | 124 | 88% | 0.879 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 145.1 | 169.8 | -69.9 | -178.6 | 172.9 | 0 | 0 | 109.7 | N115 | E113-N115 PolarHBondContact O-N 3.15Š|
| 114 | S | 66.3 | Low | 60.3 | Low | 84 Ų | 84 | 128.6 Ų | 128.6 | 59% | 0.587 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 137.4 | 177 | -61 | 0 | 0 | 0 | 0 | 108.8 | ||
| 115 | N | 64.6 | Low | 59.1 | Low | 150 Ų | 150 | 132.2 Ų | 132.2 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 138.1 | 172.3 | -76 | -15.8 | 0 | 0 | 0 | 109.1 | E113 | E113-N115 PolarHBondContact O-N 3.15Š|
| 116 | P | 73.9 | Confident | 58.1 | Low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 138.2 | 178.3 | 21.7 | -32.1 | 0 | 0 | 0 | 109.4 | K118 | P116-K118 PolarHBondContact O-N 2.94Š|
| 117 | P | 69.6 | Low | 57 | Low | 120 Ų | 120 | 139.9 Ų | 139.9 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -54 | 132.6 | 178.2 | 19.4 | -27.9 | 0 | 0 | 0 | 108.6 | E119 | P117-E119 PolarHBondContact O-N 3.4Š|
| 118 | K | 57.3 | Low | 56 | Low | 188 Ų | 188 | 143.6 Ų | 143.6 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 124.8 | 168.6 | -77.3 | -179.2 | 177.1 | 179.6 | 0 | 106.2 | P116 D120 | P116-K118 PolarHBondContact O-N 2.94Å; K118-D120 PolarHBondContact O-N 2.82Å; K118-D120 VanDerWaalsContact O-N 3.08Å |
| 119 | E | 64.2 | Low | 54.8 | Low | 185 Ų | 185 | 146 Ų | 146 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -61.5 | 114.4 | 172.4 | -55.4 | -170 | -155.2 | 0 | 0 | 107.2 | P117 S121 | P117-E119 PolarHBondContact O-N 3.4Å; E119-S121 PolarHBondContact O-N 3.34Å | ||
| 120 | D | 47.5 | Very low | 54 | Low | 152 Ų | 152 | 149.4 Ų | 149.4 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -67.9 | 82.6 | 171.1 | -65.3 | -40 | 0 | 0 | 0 | 106.7 | K118 D122 | K118-D120 PolarHBondContact O-N 2.82Å; K118-D120 VanDerWaalsContact O-N 3.08Å; D120-D122 PolarHBondContact O-N 3.4Å | ||
| 121 | S | 44.1 | Very low | 52.7 | Low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -78 | 68.3 | 169.3 | -165.1 | 0 | 0 | 0 | 0 | 108.4 | E119 S123 | E119-S121 PolarHBondContact O-N 3.34Å; S121-S123 VanDerWaalsContact C-N 3.3Å; S121-S123 PolarHBondContact O-N 2.88Å | ||
| 122 | D | 44.8 | Very low | 51.5 | Low | 163 Ų | 163 | 143.4 Ų | 143.4 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -80.3 | 83.4 | 154.7 | -90.1 | -21.3 | 0 | 0 | 0 | 106.7 | D120 | D120-D122 PolarHBondContact O-N 3.4Š| ||
| 123 | S | 44.2 | Very low | 50.5 | Low | 94 Ų | 94 | 141.6 Ų | 141.6 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | -150 | 89.6 | 160.9 | -164.5 | 0 | 0 | 0 | 0 | 109.1 | S121 | S121-S123 VanDerWaalsContact C-N 3.3Å; S121-S123 PolarHBondContact O-N 2.88Å | ||
| 124 | D | 46.5 | Very low | 49.2 | Very low | 161 Ų | 161 | 138 Ų | 138 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -55.2 | 144.2 | 157.2 | -75.2 | -45.1 | 0 | 0 | 0 | 109.6 | ||||
| 125 | N | 43 | Very low | 48 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | 73 | 96.4 | -174.3 | -74.3 | -23.1 | 0 | 0 | 0 | 115.8 | ||||
| 126 | D | 47.1 | Very low | 47.1 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | -178.1 | 124.7 | 104.3 | -84.2 | -32.2 | 0 | 0 | 0 | 112.6 | H128 | D126-H128 PolarHBondContact O-N 2.83Š| |||
| 127 | Q | 40.8 | Very low | 45.9 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -1.1 | 96.1 | 157.5 | -51.9 | -176.4 | 24.7 | 0 | 0 | 118.7 | ||||
| 128 | H | 41 | Very low | 44.3 | Very low | 185 Ų | 185 | 138.8 Ų | 138.8 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -148.3 | 82.7 | 144.3 | -80.4 | -65.4 | 0 | 0 | 0 | 110.1 | D126 I130 | D126-H128 PolarHBondContact O-N 2.83Å; H128-I130 PolarHBondContact O-N 3.41Å; H128-I130 VanDerWaalsContact O-N 3.12Å | ||
| 129 | T | 39.2 | Very low | 43.9 | Very low | 130 Ų | 130 | 137 Ų | 137 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | trans | -71.1 | 98.6 | 165.6 | 51 | 0 | 0 | 0 | 0 | 108.7 | S131 | T129-S131 PolarHBondContact O-N 2.94Š| ||
| 130 | I | 43.6 | Very low | 42.8 | Very low | 169 Ų | 169 | 134 Ų | 134 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -69.5 | 93.6 | 158 | -66.7 | 172.4 | 0 | 0 | 0 | 106.1 | H128 | H128-I130 PolarHBondContact O-N 3.41Å; H128-I130 VanDerWaalsContact O-N 3.12Å | ||
| 131 | S | 37.9 | Very low | 42.8 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -81.7 | 139.5 | 166.3 | 59.2 | 0 | 0 | 0 | 0 | 109.1 | T129 | T129-S131 PolarHBondContact O-N 2.94Š| ||
| 132 | G | 40.8 | Very low | 42.6 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | 129.2 | 117.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 133 | Q | 42.5 | Very low | 42.8 | Very low | 153 Ų | 153 | 131.4 Ų | 131.4 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | cis | -158.4 | 106.4 | 5.4 | -114 | 159 | 7.5 | 0 | 0 | 105.8 | F135 | Q133-F135 HydrophobicContact CB-CD2 3.83Å; Q133-F135 HydrophobicContact CB-CE2 3.66Å; Q133-F135 HydrophobicContact CG-CD2 4.11Å; Q133-F135 HydrophobicContact CG-CE2 3.48Å; Q133-F135 VanDerWaalsContact CG-CE2 3.48Å; Q133-F135 HydrophobicContact CG-CZ 3.89Å; Q133-F135 PolarHBondContact O-N 3.29Å; Q133-F135 VanDerWaalsContact OE1-CE2 3.26Å | ||
| 134 | A | 34.9 | Very low | 42.8 | Very low | 111 Ų | 111 | 137 Ų | 137 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | trans | -81.3 | 96.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 135 | F | 41.6 | Very low | 42.7 | Very low | 172 Ų | 172 | 136 Ų | 136 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -91.1 | 117.7 | 168.8 | -76.6 | -73.4 | 0 | 0 | 0 | 109.7 | Q133 | Q133-F135 HydrophobicContact CB-CD2 3.83Å; Q133-F135 HydrophobicContact CB-CE2 3.66Å; Q133-F135 HydrophobicContact CG-CD2 4.11Å; Q133-F135 HydrophobicContact CG-CE2 3.48Å; Q133-F135 VanDerWaalsContact CG-CE2 3.48Å; Q133-F135 HydrophobicContact CG-CZ 3.89Å; Q133-F135 PolarHBondContact O-N 3.29Å; Q133-F135 VanDerWaalsContact OE1-CE2 3.26Å | ||
| 136 | G | 45.1 | Very low | 42.7 | Very low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 144.4 | 111.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S138 | G136-S138 PolarHBondContact O-N 3.35Š|
| 137 | P | 48.2 | Very low | 42.6 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | trans | -68.2 | 135 | -176.3 | 29.5 | -32.7 | 0 | 0 | 0 | 110.3 | L139 | P137-L139 PolarHBondContact O-N 3.44Š| ||
| 138 | S | 35.9 | Very low | 42.6 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | -48.4 | 108.3 | 167.4 | 50.4 | 0 | 0 | 0 | 0 | 111.3 | G136 | G136-S138 PolarHBondContact O-N 3.35Š| ||
| 139 | L | 48.9 | Very low | 42.6 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -81.1 | 125.4 | 167 | -91.8 | 156.5 | 0 | 0 | 0 | 109.4 | P137 T141 | P137-L139 PolarHBondContact O-N 3.44Å; L139-T141 PolarHBondContact O-N 3.38Å | ||
| 140 | P | 40.5 | Very low | 42.6 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | -86.8 | 103.2 | 174.5 | 32.8 | -26.3 | 0 | 0 | 0 | 108.3 | ||||
| 141 | T | 47.5 | Very low | 42.7 | Very low | 92 Ų | 92 | 134.6 Ų | 134.6 | 56% | 0.564 | 76% | 0.762 | S | S | * | * | trans | -127.4 | 78 | 175.9 | -41.2 | 0 | 0 | 0 | 0 | 110.7 | L139 L143 | L139-T141 PolarHBondContact O-N 3.38Å; T141-L143 HydrophobicContact CG2-CB 3.89Å; T141-L143 HydrophobicContact CG2-CD1 3.41Å; T141-L143 VanDerWaalsContact CG2-CD1 3.41Å; T141-L143 HydrophobicContact CG2-CG 3.59Å; T141-L143 PolarHBondContact O-N 2.98Å | ||
| 142 | D | 41.8 | Very low | 42.8 | Very low | 141 Ų | 141 | 134 Ų | 134 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | -69 | 72.3 | 157.5 | -153.6 | 5.1 | 0 | 0 | 0 | 107.7 | ||||
| 143 | L | 47.6 | Very low | 42.9 | Very low | 136 Ų | 136 | 141 Ų | 141 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | -113.6 | 88.9 | 166.4 | -75.5 | 171.8 | 0 | 0 | 0 | 107.9 | T141 I145 | T141-L143 HydrophobicContact CG2-CB 3.89Å; T141-L143 HydrophobicContact CG2-CD1 3.41Å; T141-L143 VanDerWaalsContact CG2-CD1 3.41Å; T141-L143 HydrophobicContact CG2-CG 3.59Å; T141-L143 PolarHBondContact O-N 2.98Å; L143-I145 VanDerWaalsContact C-N 3.3Å; L143-I145 PolarHBondContact O-N 3.48Å | ||
| 144 | R | 44 | Very low | 42.7 | Very low | 211 Ų | 211 | 138.9 Ų | 138.9 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | -63.4 | 95.1 | 160.1 | -64.8 | 178.9 | -175.6 | 165 | 5.2 | 107.7 | L146 | R144-L146 PolarHBondContact O-N 2.97Š| ||
| 145 | I | 45.2 | Very low | 43.3 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | -69.7 | 102 | 161.6 | -61.7 | 174.9 | 0 | 0 | 0 | 105.9 | L143 D147 | L143-I145 VanDerWaalsContact C-N 3.3Å; L143-I145 PolarHBondContact O-N 3.48Å; I145-D147 VanDerWaalsContact C-N 3.31Å; I145-D147 PolarHBondContact O-N 3.18Å | ||
| 146 | L | 43.2 | Very low | 43.5 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | trans | -64.5 | 91.4 | 164.7 | -84.3 | 153.8 | 0 | 0 | 0 | 107.8 | R144 N148 | R144-L146 PolarHBondContact O-N 2.97Å; L146-N148 PolarHBondContact O-N 2.91Å | ||
| 147 | D | 44 | Very low | 43.4 | Very low | 148 Ų | 148 | 147.6 Ų | 147.6 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -74.2 | 84.5 | 160.9 | -87.1 | -14.7 | 0 | 0 | 0 | 108.8 | I145 R149 | I145-D147 VanDerWaalsContact C-N 3.31Å; I145-D147 PolarHBondContact O-N 3.18Å; D147-R149 VanDerWaalsContact C-N 3.29Å; D147-R149 PolarHBondContact O-N 3.3Å | ||
| 148 | N | 41.9 | Very low | 43.4 | Very low | 136 Ų | 136 | 149.1 Ų | 149.1 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -67.6 | 88.7 | 158.4 | -72.7 | -37.9 | 0 | 0 | 0 | 108.4 | L146 | L146-N148 PolarHBondContact O-N 2.91Š| ||
| 149 | R | 39.9 | Very low | 43.8 | Very low | 250 Ų | 250 | 152.4 Ų | 152.4 | 94% | 0.943 | 77% | 0.767 | S | S | * | * | trans | -111.8 | 66.6 | 154.7 | -96.8 | -178 | 170.7 | 167.2 | -2.1 | 109 | D147 | D147-R149 VanDerWaalsContact C-N 3.29Å; D147-R149 PolarHBondContact O-N 3.3Å | ||
| 150 | A | 40.7 | Very low | 43.7 | Very low | 83 Ų | 83 | 153.9 Ų | 153.9 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | trans | -105.8 | 100.6 | 151.7 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 151 | D | 44.6 | Very low | 44 | Very low | 156 Ų | 156 | 156.7 Ų | 156.7 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -168.9 | 130.7 | 142.1 | -97.5 | -27.4 | 0 | 0 | 0 | 112.1 | ||||
| 152 | S | 39.9 | Very low | 43.9 | Very low | 96 Ų | 96 | 160 Ų | 160 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | trans | 45.5 | 106.5 | 153.5 | 69.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 153 | Y | 43.1 | Very low | 44.1 | Very low | 215 Ų | 215 | 160.2 Ų | 160.2 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | -157.1 | 92.9 | 120.8 | -111 | -76.5 | 0 | 0 | 0 | 109.5 | H155 | Y153-H155 AromaticContact CD1-CD2 3.93Š| |||
| 154 | S | 39 | Very low | 43.9 | Very low | 108 Ų | 108 | 157.4 Ų | 157.4 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -73.7 | 115.3 | 165.9 | 55.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 155 | H | 46.1 | Very low | 44.1 | Very low | 147 Ų | 147 | 156.6 Ų | 156.6 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | trans | -138.7 | 104 | 157.3 | -94.6 | -76.9 | 0 | 0 | 0 | 112 | Y153 | Y153-H155 AromaticContact CD1-CD2 3.93Š| ||
| 156 | K | 46.4 | Very low | 44.1 | Very low | 177 Ų | 177 | 158.2 Ų | 158.2 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | 46.4 | 101.2 | 137.6 | -67.7 | 178.3 | 179.3 | 174.4 | 0 | 117.9 | L158 | K156-L158 PolarHBondContact O-N 3.33Š| ||
| 157 | K | 42.4 | Very low | 44.3 | Very low | 207 Ų | 207 | 163.8 Ų | 163.8 | 90% | 0.9 | 80% | 0.797 | S | S | * | * | trans | -51 | 121.2 | 146.8 | -76.5 | 174.4 | 175.4 | 171.1 | 0 | 110.1 | ||||
| 158 | L | 47.8 | Very low | 44.4 | Very low | 158 Ų | 158 | 161.3 Ų | 161.3 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -114.7 | 105.5 | 155.3 | -103.6 | 147.7 | 0 | 0 | 0 | 107.7 | K156 | K156-L158 PolarHBondContact O-N 3.33Š| ||
| 159 | K | 44.9 | Very low | 44.6 | Very low | 188 Ų | 188 | 163.8 Ų | 163.8 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | trans | -67.4 | 124.3 | 164.4 | -78.3 | 174.8 | 171.2 | 176.6 | 0 | 107.6 | ||||
| 160 | Q | 46.9 | Very low | 44.9 | Very low | 181 Ų | 181 | 159.9 Ų | 159.9 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -121.5 | 118 | 149.1 | -77 | -163.2 | 0.7 | 0 | 0 | 108.9 | ||||
| 161 | K | 46.8 | Very low | 45.2 | Very low | 183 Ų | 183 | 163.3 Ų | 163.3 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -68.6 | 145.8 | 167.3 | -66.6 | 171.3 | 170.8 | -179.1 | 0 | 108 | ||||
| 162 | N | 46.1 | Very low | 45.3 | Very low | 162 Ų | 162 | 161.3 Ų | 161.3 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | -150.7 | 133.2 | 137.9 | -91.3 | -26.2 | 0 | 0 | 0 | 110 | ||||
| 163 | D | 45.8 | Very low | 45.7 | Very low | 145 Ų | 145 | 166 Ų | 166 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | -54.3 | 134.4 | -173.8 | -85 | -56.6 | 0 | 0 | 0 | 113.7 | ||||
| 164 | S | 43.5 | Very low | 45.9 | Very low | 77 Ų | 77 | 164.7 Ų | 164.7 | 54% | 0.538 | 79% | 0.794 | S | S | . | * | 73.8 | 112.8 | 87 | 116 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 165 | H | 47.7 | Very low | 46.2 | Very low | 193 Ų | 193 | 166.9 Ų | 166.9 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | trans | -158.2 | 109.4 | 133.9 | -98.2 | -61.7 | 0 | 0 | 0 | 109.5 | ||||
| 166 | H | 45.4 | Very low | 46.3 | Very low | 174 Ų | 174 | 169 Ų | 169 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | -70.2 | 142.6 | 170.2 | -76.6 | -85 | 0 | 0 | 0 | 111.3 | ||||
| 167 | R | 47.2 | Very low | 46.4 | Very low | 256 Ų | 256 | 170.5 Ų | 170.5 | 97% | 0.966 | 81% | 0.806 | S | S | * | * | trans | -154.7 | 112.4 | 140.2 | -110.3 | 173.8 | -176.6 | -170.5 | 1 | 110.4 | ||||
| 168 | S | 45.4 | Very low | 46.5 | Very low | 96 Ų | 96 | 169 Ų | 169 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | trans | -101.4 | 136.4 | 178.8 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 169 | H | 46.6 | Very low | 46.4 | Very low | 187 Ų | 187 | 173 Ų | 173 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -159.1 | 112.7 | 147.4 | -83.9 | -68.7 | 0 | 0 | 0 | 107.1 | ||||
| 170 | K | 45.9 | Very low | 46.6 | Very low | 168 Ų | 168 | 173 Ų | 173 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | 92.6 | 122 | 63.1 | -136.9 | -169.8 | -175.2 | -173.2 | 0 | 113.2 | |||||
| 171 | H | 47.4 | Very low | 46.7 | Very low | 155 Ų | 155 | 173.7 Ų | 173.7 | 72% | 0.718 | 81% | 0.807 | S | S | * | * | trans | 72.5 | 141.1 | 165.4 | -61.4 | -64.7 | 0 | 0 | 0 | 117.2 | ||||
| 172 | S | 47.4 | Very low | 46.7 | Very low | 115 Ų | 115 | 169.3 Ų | 169.3 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | cis | -154.2 | 154.8 | 30.9 | 60.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 173 | K | 47.1 | Very low | 46.6 | Very low | 195 Ų | 195 | 169.6 Ų | 169.6 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -62.8 | 145.5 | 178.3 | -57.1 | 161.9 | 175.1 | 174.1 | 0 | 114.4 | ||||
| 174 | K | 47.6 | Very low | 46.7 | Very low | 186 Ų | 186 | 171.2 Ų | 171.2 | 81% | 0.809 | 80% | 0.801 | S | S | * | * | trans | -171.2 | 123.4 | 131.4 | -137.2 | 153.2 | -177.7 | -178.9 | 0 | 116.6 | ||||
| 175 | H | 46.9 | Very low | 46.9 | Very low | 155 Ų | 155 | 173.4 Ų | 173.4 | 72% | 0.718 | 81% | 0.813 | S | S | * | * | trans | 35.9 | 120.2 | 150.9 | -58.1 | -54.2 | 0 | 0 | 0 | 122.2 | ||||
| 176 | K | 46.9 | Very low | 47.1 | Very low | 190 Ų | 190 | 172.6 Ų | 172.6 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | 78 | 102 | 63.4 | -165 | -179.3 | -171.6 | 179.1 | 0 | 114.1 | |||||
| 177 | K | 48.9 | Very low | 47.1 | Very low | 210 Ų | 210 | 174 Ų | 174 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | trans | -167.8 | 123 | 135.2 | -114.2 | 172.9 | -178.4 | 175.6 | 0 | 113 | ||||
| 178 | E | 45.3 | Very low | 47.3 | Very low | 175 Ų | 175 | 169.4 Ų | 169.4 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -71.5 | 152.5 | 171.3 | -58.4 | 177.3 | 155.9 | 0 | 0 | 112.1 | ||||
| 179 | R | 44.7 | Very low | 47.4 | Very low | 242 Ų | 242 | 174.4 Ų | 174.4 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | trans | -168.4 | 102.5 | 140.6 | -106.3 | 168.4 | 176.5 | -148.5 | -3.8 | 113.3 | ||||
| 180 | K | 49.6 | Very low | 47.6 | Very low | 189 Ų | 189 | 175.7 Ų | 175.7 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | 23.4 | 127.2 | 133.5 | -56.5 | -174.8 | 177.8 | -176 | 0 | 120.2 | ||||
| 181 | K | 49.6 | Very low | 47.7 | Very low | 195 Ų | 195 | 177.3 Ų | 177.3 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | 164.6 | 101 | 123.4 | -91.4 | 173.4 | 177.7 | -176.1 | 0 | 109.2 | |||||
| 182 | S | 45.7 | Very low | 47.7 | Very low | 90 Ų | 90 | 177 Ų | 177 | 63% | 0.629 | 82% | 0.818 | S | S | * | * | 56.5 | 104.3 | 88 | 69.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 183 | N | 44.5 | Very low | 47.7 | Very low | 169 Ų | 169 | 180.7 Ų | 180.7 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | 176.8 | 134.5 | 111.5 | -86.9 | -23.1 | 0 | 0 | 0 | 112.1 | |||||
| 184 | K | 48.4 | Very low | 47.7 | Very low | 179 Ų | 179 | 180.2 Ų | 180.2 | 78% | 0.778 | 82% | 0.82 | S | S | * | * | trans | -118.2 | 146.7 | 178.8 | -167.8 | 175.8 | -169.6 | 170.3 | 0 | 105.7 | ||||
| 185 | P | 46.7 | Very low | 48 | Very low | 123 Ų | 123 | 177.8 Ų | 177.8 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | -141.1 | 121.3 | 120.5 | 27.2 | -9.4 | 0 | 0 | 0 | 111 | |||||
| 186 | K | 52.1 | Low | 48.3 | Very low | 176 Ų | 176 | 174.7 Ų | 174.7 | 77% | 0.765 | 82% | 0.816 | S | S | * | * | 55 | 87.7 | 90.5 | -74.4 | -170.7 | 178.7 | 178.4 | 0 | 113.2 | Q188 | K186-Q188 PolarHBondContact O-N 2.96Š| |||
| 187 | K | 45.7 | Very low | 48.2 | Very low | 202 Ų | 202 | 177.7 Ų | 177.7 | 88% | 0.878 | 82% | 0.822 | S | S | * | * | trans | -56.3 | 106.7 | 163.1 | -156.5 | 171.9 | -170.8 | 173.5 | 0 | 109.6 | ||||
| 188 | Q | 51.5 | Low | 48.2 | Very low | 161 Ų | 161 | 176.8 Ų | 176.8 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | -81 | 113.7 | 167 | -80.4 | -168 | -13.5 | 0 | 0 | 109.2 | K186 R190 | K186-Q188 PolarHBondContact O-N 2.96Å; Q188-R190 PolarHBondContact O-N 3.46Å | ||
| 189 | K | 46.8 | Very low | 48 | Very low | 200 Ų | 200 | 174 Ų | 174 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | trans | -75.8 | 107.6 | 163.3 | -76 | -178.8 | 174.3 | -179.3 | 0 | 107.7 | ||||
| 190 | R | 50.6 | Low | 48.1 | Very low | 214 Ų | 214 | 167.2 Ų | 167.2 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | trans | -81.5 | 113.5 | 163.5 | -74.4 | -160.4 | 169.9 | -165.7 | -1.7 | 108.9 | Q188 | Q188-R190 PolarHBondContact O-N 3.46Š| ||
| 191 | K | 48.8 | Very low | 47.7 | Very low | 202 Ų | 202 | 163.8 Ų | 163.8 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | trans | -78.3 | 110.8 | 164 | -68.2 | 177.3 | 176 | -179 | 0 | 106.5 | ||||
| 192 | N | 48.1 | Very low | 47.3 | Very low | 148 Ų | 148 | 160 Ų | 160 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 139.6 | 163.7 | -84.6 | 2.4 | 0 | 0 | 0 | 109.8 | ||
| 193 | K | 47 | Very low | 47.3 | Very low | 194 Ų | 194 | 161.1 Ų | 161.1 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 126.3 | -153.2 | -166.8 | 174.9 | -176.5 | 179.4 | 0 | 108.2 | V195 | K193-V195 PolarHBondContact O-N 2.93Š|
| 194 | H | 46.2 | Very low | 47.2 | Very low | 185 Ų | 185 | 158.9 Ų | 158.9 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 119.3 | 169.5 | -60.8 | -83.3 | 0 | 0 | 0 | 108.8 | ||
| 195 | V | 53.9 | Low | 46.7 | Very low | 135 Ų | 135 | 156 Ų | 156 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 118.4 | 167.6 | 176.7 | 0 | 0 | 0 | 0 | 107.5 | K193 | K193-V195 PolarHBondContact O-N 2.93Š|
| 196 | S | 53.9 | Low | 46.4 | Very low | 90 Ų | 90 | 153.7 Ų | 153.7 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 127.5 | 179.1 | 48.4 | 0 | 0 | 0 | 0 | 113.4 | K198 | S196-K198 PolarHBondContact O-N 3Š|
| 197 | R | 44.7 | Very low | 45.7 | Very low | 252 Ų | 252 | 154.3 Ų | 154.3 | 95% | 0.951 | 80% | 0.803 | S | S | * | * | trans | -71.7 | 115.1 | 152.7 | -70.8 | 177.4 | 176.2 | 162.5 | -2 | 107.5 | ||||
| 198 | K | 47.9 | Very low | 45.7 | Very low | 191 Ų | 191 | 153.4 Ų | 153.4 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | -96.8 | 117.6 | 166.3 | -83.6 | -173.4 | 175.1 | -176.4 | 0 | 108.7 | S196 | S196-K198 PolarHBondContact O-N 3Š| ||
| 199 | S | 41.6 | Very low | 45 | Very low | 116 Ų | 116 | 154.5 Ų | 154.5 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -71.4 | 135.2 | 160.8 | 47.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 200 | S | 46.2 | Very low | 44.9 | Very low | 100 Ų | 100 | 150 Ų | 150 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | -171.5 | 95.3 | 152.6 | 50.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 201 | S | 41.4 | Very low | 44.4 | Very low | 118 Ų | 118 | 148.9 Ų | 148.9 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | 43.1 | 90.8 | 77.2 | 79.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 202 | S | 42.4 | Very low | 44.1 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -158.8 | 112 | 149.1 | 44.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 203 | S | 45 | Very low | 44.4 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -87.1 | -171.6 | 174.8 | -53.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 204 | P | 43.2 | Very low | 45 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | -118.8 | 168.6 | -98.4 | 32.6 | -13.3 | 0 | 0 | 0 | 111.1 | |||||
| 205 | S | 37.2 | Very low | 45.6 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | 159.7 | 109.1 | 151 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 206 | S | 40.1 | Very low | 46.1 | Very low | 73 Ų | 73 | 133.3 Ų | 133.3 | 51% | 0.51 | 74% | 0.743 | S | S | . | * | -179.4 | 121.9 | 124.6 | 53.4 | 0 | 0 | 0 | 0 | 110.4 | Y208 | S206-Y208 VanDerWaalsContact OG-CE1 3.27Å; S206-Y208 WeakPolarHBondContact OG-CE1 3.27Å; S206-Y208 VanDerWaalsContact OG-CZ 3.3Å; S206-Y208 PolarHBondContact OG-OH 3.17Å | |||
| 207 | E | 37.2 | Very low | 46.7 | Very low | 190 Ų | 190 | 135.5 Ų | 135.5 | 89% | 0.888 | 74% | 0.743 | S | S | * | * | trans | -61.9 | 127.5 | 172.2 | -67.3 | 157.5 | 137.6 | 0 | 0 | 112 | ||||
| 208 | Y | 45.1 | Very low | 48 | Very low | 183 Ų | 183 | 130.4 Ų | 130.4 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | trans | -159.5 | 95.5 | 152.3 | 16.7 | -99.7 | 0 | 0 | 0 | 109.8 | S206 | S206-Y208 VanDerWaalsContact OG-CE1 3.27Å; S206-Y208 WeakPolarHBondContact OG-CE1 3.27Å; S206-Y208 VanDerWaalsContact OG-CZ 3.3Å; S206-Y208 PolarHBondContact OG-OH 3.17Å | ||
| 209 | E | 38.5 | Very low | 49.3 | Very low | 183 Ų | 183 | 126.7 Ų | 126.7 | 86% | 0.855 | 71% | 0.712 | S | S | * | * | trans | 16.9 | 106.4 | 132 | -62.2 | -73.9 | 129.2 | 0 | 0 | 117.1 | ||||
| 210 | S | 43.5 | Very low | 51 | Low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | trans | -162.6 | 98.3 | 143.8 | 70.7 | 0 | 0 | 0 | 0 | 111.1 | V212 | S210-V212 PolarHBondContact O-N 3.4Š| ||
| 211 | E | 40.8 | Very low | 52.5 | Low | 190 Ų | 190 | 128.8 Ų | 128.8 | 89% | 0.888 | 70% | 0.696 | S | S | * | * | trans | -89.9 | 72.7 | -179.5 | -163.6 | 142.7 | -157.1 | 0 | 0 | 109.9 | ||||
| 212 | V | 42.6 | Very low | 54.4 | Low | 131 Ų | 131 | 127.7 Ų | 127.7 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | trans | -165.1 | 75.3 | 178.1 | -100.4 | 0 | 0 | 0 | 0 | 111.2 | S210 | S210-V212 PolarHBondContact O-N 3.4Š| ||
| 213 | D | 53 | Low | 56.4 | Low | 99 Ų | 99 | 129.1 Ų | 129.1 | 53% | 0.529 | 67% | 0.672 | S | S | . | * | trans | -168.2 | 21.5 | 154.5 | -147.2 | 4.8 | 0 | 0 | 0 | 116.9 | E215 | D213-E215 VanDerWaalsContact C-N 3.28Å; D213-E215 PolarHBondContact O-N 2.85Å | ||
| 214 | S | 59.8 | Low | 58.1 | Low | 92 Ų | 92 | 129 Ų | 129 | 64% | 0.643 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -9.9 | -175.1 | -79.4 | 0 | 0 | 0 | 0 | 115.2 | K218 | S214-K218 WeakPolarHBondContact O-CD 3.29Å; S214-K218 WeakPolarHBondContact O-CG 3.49Å |
| 215 | E | 59.4 | Low | 59.9 | Low | 133 Ų | 133 | 128.9 Ų | 128.9 | 62% | 0.621 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -35.9 | -178.9 | -70.6 | -143.3 | 160.2 | 0 | 0 | 113.7 | D213 K218 K219 | D213-E215 VanDerWaalsContact C-N 3.28Å; D213-E215 PolarHBondContact O-N 2.85Å; E215-K218 PolarHBondContact O-N 2.84Å; E215-K219 WeakPolarHBondContact O-CG 3.4Å; E215-K219 PolarHBondContact O-N 3.31Å; E215-K219 IonicContact OE2-NZ 3.31Å; E215-K219 PolarHBondContact OE2-NZ 3.5Å; E215-K219 VanDerWaalsContact OE2-NZ 3.15Å |
| 216 | D | 64.6 | Low | 62.1 | Low | 82 Ų | 82 | 130.2 Ų | 130.2 | 44% | 0.439 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -79.2 | -33.1 | -173.4 | -71.9 | -18.4 | 0 | 0 | 0 | 111.8 | K218 K219 Q220 | D216-K218 VanDerWaalsContact C-N 3.33Å; D216-K218 PolarHBondContact O-N 3.43Å; D216-K219 PolarHBondContact O-N 2.84Å; D216-K219 IonicContact OD1-NZ 3.15Å; D216-Q220 WeakPolarHBondContact O-CB 3.43Å; D216-Q220 VanDerWaalsContact O-CG 3.28Å; D216-Q220 WeakPolarHBondContact O-CG 3.33Å; D216-Q220 PolarHBondContact O-N 2.9Å |
| 217 | E | 67.4 | Low | 64.2 | Low | 136 Ų | 136 | 129.9 Ų | 129.9 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.2 | -41.1 | 168.5 | -68.7 | -169.3 | 160.3 | 0 | 0 | 112.1 | Q220 F221 | E217-Q220 PolarHBondContact O-N 2.86Å; E217-F221 WeakPolarHBondContact O-CB 3.26Å; E217-F221 PolarHBondContact O-N 3.42Å |
| 218 | K | 70.3 | Confident | 66.3 | Low | 144 Ų | 144 | 127.5 Ų | 127.5 | 63% | 0.626 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.9 | -42.2 | 176.1 | -75.2 | 178.8 | -174.9 | 169.3 | 0 | 111.6 | S214 E215 D216 F221 I222 | S214-K218 WeakPolarHBondContact O-CD 3.29Å; S214-K218 WeakPolarHBondContact O-CG 3.49Å; E215-K218 PolarHBondContact O-N 2.84Å; D216-K218 VanDerWaalsContact C-N 3.33Å; D216-K218 PolarHBondContact O-N 3.43Å; K218-F221 PolarHBondContact O-N 3.35Å; K218-I222 WeakPolarHBondContact O-CD1 3.45Å; K218-I222 VanDerWaalsContact O-CG1 3.25Å; K218-I222 WeakPolarHBondContact O-CG1 3.41Å; K218-I222 PolarHBondContact O-N 3.39Å |
| 219 | K | 75.9 | Confident | 68.1 | Low | 114 Ų | 114 | 125.8 Ų | 125.8 | 50% | 0.496 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.3 | -41.1 | 176.7 | -73.9 | 168.2 | -167.9 | 155.8 | 0 | 111.6 | E215 D216 I222 K223 | E215-K219 WeakPolarHBondContact O-CG 3.4Å; E215-K219 PolarHBondContact O-N 3.31Å; E215-K219 IonicContact OE2-NZ 3.31Å; E215-K219 PolarHBondContact OE2-NZ 3.5Å; E215-K219 VanDerWaalsContact OE2-NZ 3.15Å; D216-K219 PolarHBondContact O-N 2.84Å; D216-K219 IonicContact OD1-NZ 3.15Å; K219-I222 PolarHBondContact O-N 3.17Å; K219-K223 WeakPolarHBondContact O-CB 3.43Å; K219-K223 PolarHBondContact O-N 3.42Å |
| 220 | Q | 76.9 | Confident | 70.2 | Confident | 126 Ų | 126 | 125.1 Ų | 125.1 | 59% | 0.589 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.8 | -42.2 | 175.9 | -72 | -177.7 | 21.5 | 0 | 0 | 112 | D216 E217 K223 Q224 | D216-Q220 WeakPolarHBondContact O-CB 3.43Å; D216-Q220 VanDerWaalsContact O-CG 3.28Å; D216-Q220 WeakPolarHBondContact O-CG 3.33Å; D216-Q220 PolarHBondContact O-N 2.9Å; E217-Q220 PolarHBondContact O-N 2.86Å; Q220-K223 PolarHBondContact O-N 3.42Å; Q220-Q224 WeakPolarHBondContact O-CG 3.25Å; Q220-Q224 PolarHBondContact O-N 2.99Å |
| 221 | F | 77.6 | Confident | 72 | Confident | 134 Ų | 134 | 125.4 Ų | 125.4 | 59% | 0.588 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.9 | -43.3 | 176.3 | -173.8 | -100.8 | 0 | 0 | 0 | 112.5 | E217 K218 K223 Q224 M225 | E217-F221 WeakPolarHBondContact O-CB 3.26Å; E217-F221 PolarHBondContact O-N 3.42Å; K218-F221 PolarHBondContact O-N 3.35Å; F221-K223 VanDerWaalsContact C-N 3.31Å; F221-K223 PolarHBondContact O-N 3.29Å; F221-Q224 PolarHBondContact O-N 3.34Å; F221-M225 HydrophobicContact CE1-CG 4.2Å; F221-M225 HydrophobicContact CZ-CG 4.39Å; F221-M225 PolarHBondContact O-N 3.09Å |
| 222 | I | 81.5 | Confident | 73.9 | Confident | 95 Ų | 95 | 122.4 Ų | 122.4 | 49% | 0.487 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.7 | -39.3 | 176.1 | -68.1 | 165.4 | 0 | 0 | 0 | 111 | K218 K219 M225 K226 | K218-I222 WeakPolarHBondContact O-CD1 3.45Å; K218-I222 VanDerWaalsContact O-CG1 3.25Å; K218-I222 WeakPolarHBondContact O-CG1 3.41Å; K218-I222 PolarHBondContact O-N 3.39Å; K219-I222 PolarHBondContact O-N 3.17Å; I222-M225 PolarHBondContact O-N 3.29Å; I222-K226 PolarHBondContact O-N 3.48Å |
| 223 | K | 83.8 | Confident | 75.7 | Confident | 144 Ų | 144 | 122.1 Ų | 122.1 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.7 | -47.7 | 176.3 | -169.4 | 177.8 | 177.9 | -175.9 | 0 | 111.4 | K219 Q220 F221 M225 K226 D227 | K219-K223 WeakPolarHBondContact O-CB 3.43Å; K219-K223 PolarHBondContact O-N 3.42Å; Q220-K223 PolarHBondContact O-N 3.42Å; F221-K223 VanDerWaalsContact C-N 3.31Å; F221-K223 PolarHBondContact O-N 3.29Å; K223-M225 VanDerWaalsContact C-N 3.33Å; K223-M225 PolarHBondContact O-N 3.03Å; K223-K226 PolarHBondContact O-N 3.48Å; K223-D227 PolarHBondContact O-N 2.95Å |
| 224 | Q | 82.1 | Confident | 76.9 | Confident | 111 Ų | 111 | 125.4 Ų | 125.4 | 52% | 0.519 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.1 | -38.6 | 176.3 | -70.7 | -178.9 | 16.4 | 0 | 0 | 112.9 | Q220 F221 D227 K228 | Q220-Q224 WeakPolarHBondContact O-CG 3.25Å; Q220-Q224 PolarHBondContact O-N 2.99Å; F221-Q224 PolarHBondContact O-N 3.34Å; Q224-D227 PolarHBondContact O-N 3.39Å; Q224-K228 WeakPolarHBondContact O-CB 3.28Å; Q224-K228 WeakPolarHBondContact O-CG 3.45Å; Q224-K228 PolarHBondContact O-N 2.91Å |
| 225 | M | 80.3 | Confident | 77.8 | Confident | 119 Ų | 119 | 127 Ų | 127 | 59% | 0.586 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.1 | -41.9 | 174.6 | -97.5 | -84.9 | -94.3 | 0 | 0 | 112.3 | F221 I222 K223 K229 | F221-M225 HydrophobicContact CE1-CG 4.2Å; F221-M225 HydrophobicContact CZ-CG 4.39Å; F221-M225 PolarHBondContact O-N 3.09Å; I222-M225 PolarHBondContact O-N 3.29Å; K223-M225 VanDerWaalsContact C-N 3.33Å; K223-M225 PolarHBondContact O-N 3.03Å; M225-K229 WeakPolarHBondContact O-CB 3.43Å; M225-K229 PolarHBondContact O-N 2.89Å |
| 226 | K | 84.2 | Confident | 78.5 | Confident | 148 Ų | 148 | 129 Ų | 129 | 64% | 0.643 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65 | -41.7 | 175.1 | -79.9 | -176.3 | 175.8 | -178.5 | 0 | 112 | I222 K223 K229 R230 | I222-K226 PolarHBondContact O-N 3.48Å; K223-K226 PolarHBondContact O-N 3.48Å; K226-K229 PolarHBondContact O-N 3.39Å; K226-R230 WeakPolarHBondContact O-CB 3.4Å; K226-R230 PolarHBondContact O-N 2.9Å |
| 227 | D | 83.2 | Confident | 78.9 | Confident | 67 Ų | 67 | 127.4 Ų | 127.4 | 36% | 0.358 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.3 | -44 | 178.1 | -75.8 | -39.9 | 0 | 0 | 0 | 111.8 | K223 Q224 K229 R230 E231 | K223-D227 PolarHBondContact O-N 2.95Å; Q224-D227 PolarHBondContact O-N 3.39Å; D227-K229 PolarHBondContact O-N 2.85Å; D227-R230 PolarHBondContact O-N 3.38Å; D227-R230 IonicContact OD1-CZ 2.75Å; D227-R230 IonicContact OD1-NH2 3.61Å; D227-R230 PolarHBondContact OD1-NH2 2.9Å; D227-E231 PolarHBondContact O-N 2.91Å |
| 228 | K | 81.4 | Confident | 79 | Confident | 139 Ų | 139 | 125.4 Ų | 125.4 | 60% | 0.604 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.7 | -40.4 | 173 | -79.5 | -177.5 | 176.6 | 177 | 0 | 112.7 | Q224 E231 L232 | Q224-K228 WeakPolarHBondContact O-CB 3.28Å; Q224-K228 WeakPolarHBondContact O-CG 3.45Å; Q224-K228 PolarHBondContact O-N 2.91Å; K228-E231 PolarHBondContact O-N 3.35Å; K228-L232 WeakPolarHBondContact O-CB 3.36Å; K228-L232 PolarHBondContact O-N 3.49Å |
| 229 | K | 83.5 | Confident | 78.9 | Confident | 148 Ų | 148 | 124.5 Ų | 124.5 | 64% | 0.643 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.7 | -45 | 176.3 | -174.1 | -176.4 | 175.8 | -169.1 | 0 | 110.9 | M225 K226 D227 E231 L232 E233 | M225-K229 WeakPolarHBondContact O-CB 3.43Å; M225-K229 PolarHBondContact O-N 2.89Å; K226-K229 PolarHBondContact O-N 3.39Å; D227-K229 PolarHBondContact O-N 2.85Å; K229-E231 VanDerWaalsContact C-N 3.34Å; K229-E231 PolarHBondContact O-N 2.95Å; K229-L232 PolarHBondContact O-N 3.44Å; K229-E233 WeakPolarHBondContact O-CB 3.34Å; K229-E233 PolarHBondContact O-N 3.37Å |
| 230 | R | 82.6 | Confident | 78.2 | Confident | 168 Ų | 168 | 124.6 Ų | 124.6 | 63% | 0.634 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.6 | -37.2 | 177.6 | -173.4 | 178.4 | 61.3 | 170 | -5.8 | 112 | K226 D227 E233 R234 | K226-R230 WeakPolarHBondContact O-CB 3.4Å; K226-R230 PolarHBondContact O-N 2.9Å; D227-R230 PolarHBondContact O-N 3.38Å; D227-R230 IonicContact OD1-CZ 2.75Å; D227-R230 IonicContact OD1-NH2 3.61Å; D227-R230 PolarHBondContact OD1-NH2 2.9Å; R230-E233 PolarHBondContact O-N 3.33Å; R230-R234 WeakPolarHBondContact O-CB 3.49Å; R230-R234 PolarHBondContact O-N 3.33Å |
| 231 | E | 82 | Confident | 77.4 | Confident | 114 Ų | 114 | 125.5 Ų | 125.5 | 53% | 0.533 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.5 | -41.4 | 175.7 | -169.9 | 179 | 176.3 | 0 | 0 | 112.1 | D227 K228 K229 R234 K235 | D227-E231 PolarHBondContact O-N 2.91Å; K228-E231 PolarHBondContact O-N 3.35Å; K229-E231 VanDerWaalsContact C-N 3.34Å; K229-E231 PolarHBondContact O-N 2.95Å; E231-R234 PolarHBondContact O-N 3.46Å; E231-K235 PolarHBondContact O-N 3.37Å |
| 232 | L | 79.2 | Confident | 76.5 | Confident | 127 Ų | 127 | 127 Ų | 127 | 67% | 0.665 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.8 | -42.8 | 173 | -104.6 | 155.4 | 0 | 0 | 0 | 112.2 | K228 K229 K235 R236 | K228-L232 WeakPolarHBondContact O-CB 3.36Å; K228-L232 PolarHBondContact O-N 3.49Å; K229-L232 PolarHBondContact O-N 3.44Å; L232-K235 PolarHBondContact O-N 2.87Å; L232-R236 WeakPolarHBondContact O-CB 3.41Å; L232-R236 PolarHBondContact O-N 2.82Å |
| 233 | E | 80.2 | Confident | 75.4 | Confident | 125 Ų | 125 | 129.6 Ų | 129.6 | 58% | 0.584 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.1 | -37.7 | 177.4 | -168.5 | 163.8 | -142.4 | 0 | 0 | 111.5 | K229 R230 R236 A237 | K229-E233 WeakPolarHBondContact O-CB 3.34Å; K229-E233 PolarHBondContact O-N 3.37Å; R230-E233 PolarHBondContact O-N 3.33Å; E233-R236 PolarHBondContact O-N 3.07Å; E233-A237 VanDerWaalsContact O-CB 3.31Å; E233-A237 WeakPolarHBondContact O-CB 3.44Å; E233-A237 PolarHBondContact O-N 2.95Å |
| 234 | R | 80 | Confident | 74.1 | Confident | 168 Ų | 168 | 129.9 Ų | 129.9 | 63% | 0.634 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.2 | -39.7 | 173.6 | -157.8 | -177.7 | 87.7 | 163.2 | 6.1 | 112.3 | R230 E231 A237 Q238 | R230-R234 WeakPolarHBondContact O-CB 3.49Å; R230-R234 PolarHBondContact O-N 3.33Å; E231-R234 PolarHBondContact O-N 3.46Å; R234-A237 PolarHBondContact O-N 2.94Å; R234-Q238 WeakPolarHBondContact O-CB 3.27Å; R234-Q238 VanDerWaalsContact O-CG 3.28Å; R234-Q238 WeakPolarHBondContact O-CG 3.43Å; R234-Q238 PolarHBondContact O-N 3.03Å |
| 235 | K | 78 | Confident | 72.9 | Confident | 126 Ų | 126 | 128 Ų | 128 | 55% | 0.548 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64 | -41.6 | 173.6 | -81.3 | -174.7 | 175.6 | 178.3 | 0 | 111.8 | E231 L232 Q238 E239 | E231-K235 PolarHBondContact O-N 3.37Å; L232-K235 PolarHBondContact O-N 2.87Å; K235-Q238 PolarHBondContact O-N 3.2Å; K235-E239 WeakPolarHBondContact O-CB 3.39Å; K235-E239 PolarHBondContact O-N 3.07Å |
| 236 | R | 74.3 | Confident | 71.8 | Confident | 174 Ų | 174 | 129.9 Ų | 129.9 | 66% | 0.657 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.6 | -41.4 | 176 | -170.7 | 178.8 | -179.5 | -167.4 | -3.1 | 111.9 | L232 E233 Q238 E239 E240 | L232-R236 WeakPolarHBondContact O-CB 3.41Å; L232-R236 PolarHBondContact O-N 2.82Å; E233-R236 PolarHBondContact O-N 3.07Å; R236-Q238 VanDerWaalsContact C-N 3.33Å; R236-E239 PolarHBondContact O-N 3.06Å; R236-E240 VanDerWaalsContact O-CB 3.26Å; R236-E240 WeakPolarHBondContact O-CB 3.4Å; R236-E240 PolarHBondContact O-N 2.98Å |
| 237 | A | 73 | Confident | 71.1 | Confident | 48 Ų | 48 | 125.2 Ų | 125.2 | 40% | 0.397 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.5 | -34.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | E233 R234 E240 E241 | E233-A237 VanDerWaalsContact O-CB 3.31Å; E233-A237 WeakPolarHBondContact O-CB 3.44Å; E233-A237 PolarHBondContact O-N 2.95Å; R234-A237 PolarHBondContact O-N 2.94Å; A237-E240 PolarHBondContact O-N 3.3Å; A237-E241 WeakPolarHBondContact O-CB 3.48Å; A237-E241 PolarHBondContact O-N 3.4Å |
| 238 | Q | 69.8 | Low | 70.5 | Confident | 95 Ų | 95 | 128.3 Ų | 128.3 | 44% | 0.444 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69.3 | -37.3 | 173 | -76.4 | -179.2 | -38.6 | 0 | 0 | 112.4 | R234 K235 R236 E242 | R234-Q238 WeakPolarHBondContact O-CB 3.27Å; R234-Q238 VanDerWaalsContact O-CG 3.28Å; R234-Q238 WeakPolarHBondContact O-CG 3.43Å; R234-Q238 PolarHBondContact O-N 3.03Å; K235-Q238 PolarHBondContact O-N 3.2Å; R236-Q238 VanDerWaalsContact C-N 3.33Å; Q238-E242 WeakPolarHBondContact O-CB 3.48Å; Q238-E242 WeakPolarHBondContact O-CG 3.45Å; Q238-E242 PolarHBondContact O-N 2.8Å |
| 239 | E | 66.4 | Low | 69.8 | Low | 125 Ų | 125 | 129 Ų | 129 | 58% | 0.584 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.4 | -37.9 | 174.1 | -166.9 | 171.5 | -158.8 | 0 | 0 | 111.1 | K235 R236 E242 E243 | K235-E239 WeakPolarHBondContact O-CB 3.39Å; K235-E239 PolarHBondContact O-N 3.07Å; R236-E239 PolarHBondContact O-N 3.06Å; E239-E242 PolarHBondContact O-N 3.28Å; E239-E243 WeakPolarHBondContact O-CB 3.34Å; E239-E243 WeakPolarHBondContact O-CG 3.33Å; E239-E243 PolarHBondContact O-N 3.33Å |
| 240 | E | 63 | Low | 68.7 | Low | 116 Ų | 116 | 128.4 Ų | 128.4 | 54% | 0.542 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -71.6 | -35.1 | 175.2 | -166 | 166.7 | -161.6 | 0 | 0 | 111.8 | R236 A237 E243 E244 | R236-E240 VanDerWaalsContact O-CB 3.26Å; R236-E240 WeakPolarHBondContact O-CB 3.4Å; R236-E240 PolarHBondContact O-N 2.98Å; A237-E240 PolarHBondContact O-N 3.3Å; E240-E243 CarbonylContact O-C 3.5Å; E240-E243 PolarHBondContact O-N 2.93Å; E240-E244 VanDerWaalsContact O-CB 3.25Å; E240-E244 WeakPolarHBondContact O-CB 3.18Å; E240-E244 PolarHBondContact O-N 3.44Å |
| 241 | E | 59.5 | Low | 67.6 | Low | 145 Ų | 145 | 125.4 Ų | 125.4 | 68% | 0.678 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -74.5 | -30.2 | 173.7 | -170.6 | 175.5 | -162.3 | 0 | 0 | 112.2 | A237 E244 | A237-E241 WeakPolarHBondContact O-CB 3.48Å; A237-E241 PolarHBondContact O-N 3.4Å; E241-E244 PolarHBondContact O-N 2.81Å |
| 242 | E | 59.4 | Low | 66.3 | Low | 164 Ų | 164 | 124.7 Ų | 124.7 | 77% | 0.766 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.1 | -28.7 | 167.7 | -82.7 | -179.2 | 169.9 | 0 | 0 | 112.3 | Q238 E239 | Q238-E242 WeakPolarHBondContact O-CB 3.48Å; Q238-E242 WeakPolarHBondContact O-CG 3.45Å; Q238-E242 PolarHBondContact O-N 2.8Å; E239-E242 PolarHBondContact O-N 3.28Å |
| 243 | E | 57.5 | Low | 64.7 | Low | 150 Ų | 150 | 122.3 Ų | 122.3 | 70% | 0.701 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -79.5 | -26.7 | 169.7 | -78.2 | -174.3 | 165.1 | 0 | 0 | 113 | E239 E240 A245 | E239-E243 WeakPolarHBondContact O-CB 3.34Å; E239-E243 WeakPolarHBondContact O-CG 3.33Å; E239-E243 PolarHBondContact O-N 3.33Å; E240-E243 CarbonylContact O-C 3.5Å; E240-E243 PolarHBondContact O-N 2.93Å; E243-A245 PolarHBondContact O-N 3.44Å; E243-A245 VanDerWaalsContact O-N 3.1Å |
| 244 | E | 57.3 | Low | 63.3 | Low | 151 Ų | 151 | 123.6 Ų | 123.6 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | trans | -83.4 | 32.1 | 176.9 | -154.9 | 167.9 | -149 | 0 | 0 | 112.3 | E240 E241 V246 | E240-E244 VanDerWaalsContact O-CB 3.25Å; E240-E244 WeakPolarHBondContact O-CB 3.18Å; E240-E244 PolarHBondContact O-N 3.44Å; E241-E244 PolarHBondContact O-N 2.81Å; E244-V246 PolarHBondContact O-N 2.9Å | ||
| 245 | A | 55.4 | Low | 61.9 | Low | 72 Ų | 72 | 119.9 Ų | 119.9 | 60% | 0.595 | 64% | 0.641 | S | S | * | * | trans | -58.6 | 110.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | E243 G247 | E243-A245 PolarHBondContact O-N 3.44Å; E243-A245 VanDerWaalsContact O-N 3.1Å; A245-G247 PolarHBondContact O-N 3.32Å | ||
| 246 | V | 58.8 | Low | 60.8 | Low | 158 Ų | 158 | 116.5 Ų | 116.5 | 96% | 0.958 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -57.9 | 96.6 | 173.4 | 178.9 | 0 | 0 | 0 | 0 | 109.6 | E244 | E244-V246 PolarHBondContact O-N 2.9Š|
| 247 | G | 67.6 | Low | 59.9 | Low | 49 Ų | 49 | 112.3 Ų | 112.3 | 51% | 0.505 | 63% | 0.63 | S | S | . | * | S | Bend | trans | 175.7 | 166.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A245 M249 | A245-G247 PolarHBondContact O-N 3.32Å; G247-M249 PolarHBondContact O-N 2.82Å |
| 248 | P | 71.2 | Confident | 59 | Low | 133 Ų | 133 | 116.1 Ų | 116.1 | 86% | 0.864 | 64% | 0.643 | S | S | * | * | trans | -62.6 | 113.5 | 174.8 | 26 | -31.9 | 0 | 0 | 0 | 109.5 | L250 | P248-L250 PolarHBondContact O-N 2.94Š| ||
| 249 | M | 66 | Low | 58.6 | Low | 152 Ų | 152 | 116.9 Ų | 116.9 | 75% | 0.749 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 128.5 | 168 | -89.6 | 174.8 | 68.1 | 0 | 0 | 108.8 | G247 T252 | G247-M249 PolarHBondContact O-N 2.82Å; M249-T252 HydrophobicContact CE-CG2 4.22Å |
| 250 | L | 62.4 | Low | 58.5 | Low | 137 Ų | 137 | 116.9 Ų | 116.9 | 72% | 0.717 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 137.2 | 166.1 | -81 | 96.9 | 0 | 0 | 0 | 108.2 | P248 T252 | P248-L250 PolarHBondContact O-N 2.94Å; L250-T252 PolarHBondContact O-N 3.49Å |
| 251 | P | 58.6 | Low | 58.7 | Low | 104 Ų | 104 | 112.8 Ų | 112.8 | 68% | 0.675 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 128.9 | 176.3 | 21.2 | -30 | 0 | 0 | 0 | 108.8 | A253 | P251-A253 PolarHBondContact O-N 3.31Š|
| 252 | T | 55.3 | Low | 59.6 | Low | 100 Ų | 100 | 112.5 Ų | 112.5 | 61% | 0.613 | 65% | 0.645 | S | S | * | * | trans | -70.9 | 27.7 | -180 | 51.5 | 0 | 0 | 0 | 0 | 113.5 | M249 L250 E254 H255 | M249-T252 HydrophobicContact CE-CG2 4.22Å; L250-T252 PolarHBondContact O-N 3.49Å; T252-E254 PolarHBondContact O-N 2.77Å; T252-E254 VanDerWaalsContact O-N 3.14Å; T252-H255 VanDerWaalsContact CA-NE2 3.32Å; T252-H255 WeakPolarHBondContact CA-NE2 3.32Å; T252-H255 WeakPolarHBondContact CG2-NE2 3.26Å | ||
| 253 | A | 44.9 | Very low | 60.5 | Low | 77 Ų | 77 | 106.3 Ų | 106.3 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -72.5 | 104.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | P251 | P251-A253 PolarHBondContact O-N 3.31Š|
| 254 | E | 51.7 | Low | 61.4 | Low | 152 Ų | 152 | 100.6 Ų | 100.6 | 71% | 0.71 | 60% | 0.596 | S | S | * | * | trans | 67.9 | 52 | 162.4 | -47.9 | -172.3 | -177.9 | 0 | 0 | 116.1 | T252 S256 S257 | T252-E254 PolarHBondContact O-N 2.77Å; T252-E254 VanDerWaalsContact O-N 3.14Å; E254-S256 PolarHBondContact O-N 2.8Å; E254-S257 PolarHBondContact O-N 3.39Å | ||
| 255 | H | 48.9 | Very low | 62.5 | Low | 90 Ų | 90 | 105.3 Ų | 105.3 | 42% | 0.417 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -61.8 | 12.1 | 169.2 | -65.6 | -48.1 | 0 | 0 | 0 | 115.4 | T252 S257 L258 | T252-H255 VanDerWaalsContact CA-NE2 3.32Å; T252-H255 WeakPolarHBondContact CA-NE2 3.32Å; T252-H255 WeakPolarHBondContact CG2-NE2 3.26Å; H255-S257 PolarHBondContact O-N 3.03Å; H255-L258 WeakPolarHBondContact ND1-CD1 3.36Å |
| 256 | S | 55.2 | Low | 63.8 | Low | 54 Ų | 54 | 105.1 Ų | 105.1 | 38% | 0.378 | 61% | 0.606 | S | S | . | * | G | 310 helix | trans | -63.9 | -30.6 | 164.7 | 99.5 | 0 | 0 | 0 | 0 | 110.6 | E254 L258 R334 | E254-S256 PolarHBondContact O-N 2.8Å; S256-L258 VanDerWaalsContact C-N 3.32Å; S256-L258 PolarHBondContact O-N 3.14Å; S256-R334 VanDerWaalsContact C-NH1 3.25Å; S256-R334 PolarHBondContact O-NH1 3.31Å; S256-R334 PolarHBondContact O-NH2 2.92Å; S256-R334 PolarHBondContact OG-NH1 2.9Å |
| 257 | S | 55 | Low | 65 | Low | 86 Ų | 86 | 98.5 Ų | 98.5 | 60% | 0.601 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -76.7 | -13.1 | -173.2 | -49.2 | 0 | 0 | 0 | 0 | 115.2 | E254 H255 | E254-S257 PolarHBondContact O-N 3.39Å; H255-S257 PolarHBondContact O-N 3.03Å |
| 258 | L | 55.4 | Low | 65.7 | Low | 128 Ų | 128 | 102.2 Ų | 102.2 | 67% | 0.67 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -98.1 | -16.7 | -169 | -62.3 | 179.6 | 0 | 0 | 0 | 115 | H255 S256 P260 | H255-L258 WeakPolarHBondContact ND1-CD1 3.36Å; S256-L258 VanDerWaalsContact C-N 3.32Å; S256-L258 PolarHBondContact O-N 3.14Å; L258-P260 WeakPolarHBondContact O-CD 3.48Å |
| 259 | I | 61.2 | Low | 66.3 | Low | 112 Ų | 112 | 101.7 Ų | 101.7 | 57% | 0.574 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -79 | 123.1 | 174 | -57.4 | 174.2 | 0 | 0 | 0 | 106.9 | L261 | I259-L261 HydrophobicContact CB-CD1 4.4Å; I259-L261 WeakPolarHBondContact O-CD1 3.31Å; I259-L261 PolarHBondContact O-N 2.64Å |
| 260 | P | 63.6 | Low | 67.2 | Low | 125 Ų | 125 | 97.1 Ų | 97.1 | 81% | 0.812 | 56% | 0.561 | S | S | * | * | trans | -59.1 | 100 | 173.8 | -22.5 | 33.8 | 0 | 0 | 0 | 109.5 | L258 D262 | L258-P260 WeakPolarHBondContact O-CD 3.48Å; P260-D262 PolarHBondContact O-N 3.41Å | ||
| 261 | L | 67.9 | Low | 68.3 | Low | 30 Ų | 30 | 92.8 Ų | 92.8 | 16% | 0.157 | 54% | 0.537 | C | S | . | . | trans | -69.6 | 130.4 | 175.4 | -98.3 | 66.6 | 0 | 0 | 0 | 108.5 | I259 Y263 R334 | I259-L261 HydrophobicContact CB-CD1 4.4Å; I259-L261 WeakPolarHBondContact O-CD1 3.31Å; I259-L261 PolarHBondContact O-N 2.64Å; L261-Y263 HydrophobicContact CB-CD1 4.36Å; L261-Y263 HydrophobicContact CB-CD2 4.09Å; L261-Y263 HydrophobicContact CB-CE1 3.86Å; L261-Y263 HydrophobicContact CB-CE2 3.57Å; L261-Y263 HydrophobicContact CB-CG 4.46Å; L261-Y263 VanDerWaalsContact CB-CZ 3.43Å; L261-Y263 HydrophobicContact CD2-CE1 3.91Å; L261-Y263 WeakPolarHBondContact O-CD2 3.4Å; L261-Y263 PolarHBondContact O-N 3.37Å; L261-R334 HydrophobicContact CD1-CG 4.46Å; L261-R334 HydrophobicContact CD2-CB 4.2Å; L261-R334 HydrophobicContact CD2-CG 4.11Å | ||
| 262 | D | 77.5 | Confident | 69.7 | Low | 138 Ų | 138 | 88 Ų | 88 | 74% | 0.738 | 51% | 0.506 | S | S | * | . | trans | -73.4 | 85.6 | 167.3 | -175.9 | 12.5 | 0 | 0 | 0 | 108.3 | P260 G264 | P260-D262 PolarHBondContact O-N 3.41Å; D262-G264 PolarHBondContact O-N 3.48Å; D262-G264 WeakPolarHBondContact OD1-CA 3.39Å; D262-G264 PolarHBondContact OD1-N 3Å | ||
| 263 | Y | 78.4 | Confident | 71.1 | Confident | 35 Ų | 35 | 85.9 Ų | 85.9 | 14% | 0.137 | 50% | 0.499 | C | S | . | . | trans | -69.2 | 7.2 | 171.3 | -60.1 | -74.8 | 0 | 0 | 0 | 112 | L261 A273 A276 Q326 I327 A330 | L261-Y263 HydrophobicContact CB-CD1 4.36Å; L261-Y263 HydrophobicContact CB-CD2 4.09Å; L261-Y263 HydrophobicContact CB-CE1 3.86Å; L261-Y263 HydrophobicContact CB-CE2 3.57Å; L261-Y263 HydrophobicContact CB-CG 4.46Å; L261-Y263 VanDerWaalsContact CB-CZ 3.43Å; L261-Y263 HydrophobicContact CD2-CE1 3.91Å; L261-Y263 WeakPolarHBondContact O-CD2 3.4Å; L261-Y263 PolarHBondContact O-N 3.37Å; Y263-A273 HydrophobicContact CE2-CB 4.24Å; Y263-A276 HydrophobicContact CE1-CB 3.78Å; Y263-A276 WeakPolarHBondContact OH-CB 3.27Å; Y263-Q326 WeakPolarHBondContact O-CG 3.3Å; Y263-Q326 PolarHBondContact O-NE2 3.44Å; Y263-I327 HydrophobicContact CD1-CG1 4.35Å; Y263-I327 HydrophobicContact CD1-CG2 4.27Å; Y263-I327 HydrophobicContact CE1-CG2 4.15Å; Y263-A330 HydrophobicContact CD1-CB 3.82Å; Y263-A330 HydrophobicContact CE1-CB 4.31Å | ||
| 264 | G | 76.4 | Confident | 73.1 | Confident | 29 Ų | 29 | 84.9 Ų | 84.9 | 30% | 0.299 | 49% | 0.491 | S | S | . | . | trans | 85.2 | 157.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | D262 A266 Q326 | D262-G264 PolarHBondContact O-N 3.48Å; D262-G264 WeakPolarHBondContact OD1-CA 3.39Å; D262-G264 PolarHBondContact OD1-N 3Å; G264-A266 PolarHBondContact O-N 3.18Å; G264-Q326 PolarHBondContact O-NE2 2.93Å | ||
| 265 | R | 81.1 | Confident | 74.7 | Confident | 250 Ų | 250 | 79.2 Ų | 79.2 | 94% | 0.943 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -2.1 | -170.6 | -69.1 | 173.5 | 141.4 | -100.9 | -2.6 | 116.4 | ||
| 266 | A | 82.7 | Confident | 76.5 | Confident | 68 Ų | 68 | 75.3 Ų | 75.3 | 56% | 0.562 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -9.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G264 | G264-A266 PolarHBondContact O-N 3.18Š|
| 267 | L | 84.1 | Confident | 78 | Confident | 19 Ų | 19 | 75 Ų | 75 | 10% | 0.099 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -98.1 | 149.8 | 173.2 | -61.2 | 179.3 | 0 | 0 | 0 | 110 | E271 G272 K323 I327 | L267-E271 HydrophobicContact CB-CB 4.28Å; L267-E271 HydrophobicContact CD2-CG 4.39Å; L267-G272 VanDerWaalsContact CD1-CA 3.49Å; L267-K323 HydrophobicContact CD2-CB 4.04Å; L267-K323 HydrophobicContact CD2-CD 3.87Å; L267-K323 HydrophobicContact CD2-CG 3.77Å; L267-I327 HydrophobicContact CD1-CD1 4.32Å; L267-I327 HydrophobicContact CD1-CG1 4.02Å |
| 268 | L | 83.2 | Confident | 79.4 | Confident | 127 Ų | 127 | 75.2 Ų | 75.2 | 67% | 0.665 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 148 | 171.4 | -165.5 | 66 | 0 | 0 | 0 | 109.2 | G270 E271 | L268-G270 PolarHBondContact O-N 2.81Å; L268-E271 HydrophobicContact CB-CB 4.11Å; L268-E271 PolarHBondContact N-OE2 3.27Å; L268-E271 WeakPolarHBondContact O-CB 3.38Å; L268-E271 PolarHBondContact O-N 2.89Å |
| 269 | P | 82.9 | Confident | 80.8 | Confident | 122 Ų | 122 | 70.7 Ų | 70.7 | 79% | 0.792 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 127.2 | 175.2 | -28.7 | 36.5 | 0 | 0 | 0 | 111.4 | E271 | P269-E271 VanDerWaalsContact C-N 3.32Å; P269-E271 PolarHBondContact O-N 2.82Å |
| 270 | G | 83.9 | Confident | 81.8 | Confident | 56 Ų | 56 | 69.1 Ų | 69.1 | 58% | 0.577 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -17.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116 | L268 A274 | L268-G270 PolarHBondContact O-N 2.81Å; G270-A274 PolarHBondContact O-N 2.68Å; G270-A274 VanDerWaalsContact O-N 3.15Å |
| 271 | E | 87.3 | Confident | 82.9 | Confident | 47 Ų | 47 | 68.6 Ų | 68.6 | 22% | 0.22 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 179.7 | -177.6 | -177.3 | -179.8 | 0 | 0 | 111.5 | L267 L268 P269 A274 M275 K323 | L267-E271 HydrophobicContact CB-CB 4.28Å; L267-E271 HydrophobicContact CD2-CG 4.39Å; L268-E271 HydrophobicContact CB-CB 4.11Å; L268-E271 PolarHBondContact N-OE2 3.27Å; L268-E271 WeakPolarHBondContact O-CB 3.38Å; L268-E271 PolarHBondContact O-N 2.89Å; P269-E271 VanDerWaalsContact C-N 3.32Å; P269-E271 PolarHBondContact O-N 2.82Å; E271-A274 PolarHBondContact O-N 3.24Å; E271-M275 HydrophobicContact CG-CE 3.67Å; E271-M275 HydrophobicContact CG-SD 4.23Å; E271-M275 WeakPolarHBondContact O-CG 3.44Å; E271-M275 PolarHBondContact O-N 3.44Å; E271-M275 WeakPolarHBondContact OE1-CE 3.29Å; E271-K323 IonicContact OE1-NZ 3.97Å; E271-K323 PolarHBondContact OE1-NZ 2.73Å; E271-K323 IonicContact OE2-NZ 2.75Å |
| 272 | G | 86.3 | Confident | 83.6 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 3% | 0.031 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L267 A274 M275 A276 | L267-G272 VanDerWaalsContact CD1-CA 3.49Å; G272-A274 VanDerWaalsContact C-N 3.35Å; G272-A274 PolarHBondContact O-N 2.92Å; G272-M275 PolarHBondContact O-N 2.61Å; G272-A276 VanDerWaalsContact O-CB 3.3Å; G272-A276 WeakPolarHBondContact O-CB 3.45Å; G272-A276 PolarHBondContact O-N 3.48Å |
| 273 | A | 86.4 | Confident | 83.9 | Confident | 56 Ų | 56 | 68.6 Ų | 68.6 | 46% | 0.463 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y263 A276 A277 | Y263-A273 HydrophobicContact CE2-CB 4.24Å; A273-A276 PolarHBondContact O-N 2.9Å; A273-A277 PolarHBondContact O-N 3.41Å |
| 274 | A | 85.7 | Confident | 84.1 | Confident | 55 Ų | 55 | 69.3 Ų | 69.3 | 46% | 0.455 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | G270 E271 G272 A277 Y278 | G270-A274 PolarHBondContact O-N 2.68Å; G270-A274 VanDerWaalsContact O-N 3.15Å; E271-A274 PolarHBondContact O-N 3.24Å; G272-A274 VanDerWaalsContact C-N 3.35Å; G272-A274 PolarHBondContact O-N 2.92Å; A274-A277 PolarHBondContact O-N 3.41Å; A274-Y278 VanDerWaalsContact O-CD2 3.31Å; A274-Y278 WeakPolarHBondContact O-CD2 3.1Å |
| 275 | M | 85.1 | Confident | 84.3 | Confident | 34 Ų | 34 | 68.5 Ų | 68.5 | 17% | 0.167 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.8 | -38.3 | 178.4 | -67.8 | -177.4 | 175.7 | 0 | 0 | 112.5 | E271 G272 A277 Y278 I279 I285 I327 | E271-M275 HydrophobicContact CG-CE 3.67Å; E271-M275 HydrophobicContact CG-SD 4.23Å; E271-M275 WeakPolarHBondContact O-CG 3.44Å; E271-M275 PolarHBondContact O-N 3.44Å; E271-M275 WeakPolarHBondContact OE1-CE 3.29Å; G272-M275 PolarHBondContact O-N 2.61Å; M275-A277 VanDerWaalsContact C-N 3.32Å; M275-A277 PolarHBondContact O-N 3.2Å; M275-Y278 PolarHBondContact O-N 2.94Å; M275-I279 PolarHBondContact O-N 3.48Å; M275-I279 VanDerWaalsContact O-N 3.17Å; M275-I285 HydrophobicContact CB-CD1 4.04Å; M275-I285 HydrophobicContact CB-CG1 4.26Å; M275-I285 HydrophobicContact CB-CG2 4.39Å; M275-I285 HydrophobicContact CE-CG2 4.37Å; M275-I285 HydrophobicContact CG-CD1 4.42Å; M275-I285 HydrophobicContact CG-CG2 3.85Å; M275-I285 HydrophobicContact SD-CG2 4.3Å; M275-I327 HydrophobicContact CB-CD1 3.29Å; M275-I327 HydrophobicContact CB-CG1 4.41Å; M275-I327 HydrophobicContact CG-CD1 3.93Å; M275-I327 HydrophobicContact SD-CD1 3.39Å; M275-I327 WeakPolarHBondContact SD-CD1 3.45Å |
| 276 | A | 86.5 | Confident | 84.3 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 6% | 0.058 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.8 | -36.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y263 G272 A273 Y278 I279 A280 I327 | Y263-A276 HydrophobicContact CE1-CB 3.78Å; Y263-A276 WeakPolarHBondContact OH-CB 3.27Å; G272-A276 VanDerWaalsContact O-CB 3.3Å; G272-A276 WeakPolarHBondContact O-CB 3.45Å; G272-A276 PolarHBondContact O-N 3.48Å; A273-A276 PolarHBondContact O-N 2.9Å; A276-Y278 PolarHBondContact O-N 2.81Å; A276-I279 PolarHBondContact O-N 2.67Å; A276-A280 WeakPolarHBondContact O-CB 3.38Å; A276-A280 PolarHBondContact O-N 3.19Å; A276-I327 HydrophobicContact CB-CG2 3.99Å |
| 277 | A | 86.6 | Confident | 84.2 | Confident | 47 Ų | 47 | 58.3 Ų | 58.3 | 39% | 0.388 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59 | -44.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A273 A274 M275 I279 A280 E281 | A273-A277 PolarHBondContact O-N 3.41Å; A274-A277 PolarHBondContact O-N 3.41Å; M275-A277 VanDerWaalsContact C-N 3.32Å; M275-A277 PolarHBondContact O-N 3.2Å; A277-I279 VanDerWaalsContact C-N 3.35Å; A277-I279 PolarHBondContact O-N 3.22Å; A277-A280 PolarHBondContact O-N 3.04Å; A277-E281 WeakPolarHBondContact O-CG 3.31Å; A277-E281 PolarHBondContact O-N 3.36Å |
| 278 | Y | 85.6 | Confident | 83.8 | Confident | 92 Ų | 92 | 68.5 Ų | 68.5 | 36% | 0.361 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 174.7 | -79.5 | -83.6 | 0 | 0 | 0 | 112 | A274 M275 A276 E281 G282 K283 P286 | A274-Y278 VanDerWaalsContact O-CD2 3.31Å; A274-Y278 WeakPolarHBondContact O-CD2 3.1Å; M275-Y278 PolarHBondContact O-N 2.94Å; A276-Y278 PolarHBondContact O-N 2.81Å; Y278-E281 PolarHBondContact O-N 2.75Å; Y278-G282 PolarHBondContact O-N 3.1Å; Y278-K283 CarbonylContact C-O 3.47Å; Y278-K283 HydrophobicContact CD1-CB 4.06Å; Y278-K283 HydrophobicContact CD1-CD 4.45Å; Y278-K283 WeakPolarHBondContact O-CA 2.97Å; Y278-K283 WeakPolarHBondContact O-CB 3.11Å; Y278-K283 PolarHBondContact O-N 3.01Å; Y278-K283 VanDerWaalsContact O-O 3.08Å; Y278-P286 HydrophobicContact CD1-CG 4.17Å; Y278-P286 HydrophobicContact CD2-CG 4.34Å; Y278-P286 HydrophobicContact CE1-CG 3.73Å; Y278-P286 HydrophobicContact CE2-CG 3.94Å; Y278-P286 HydrophobicContact CG-CG 4.47Å |
| 279 | I | 83.6 | Confident | 83.5 | Confident | 32 Ų | 32 | 64.8 Ų | 64.8 | 16% | 0.164 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65 | -42.5 | 178.3 | -69.7 | 166.2 | 0 | 0 | 0 | 111.1 | M275 A276 A277 E281 G282 I285 I327 Y328 | M275-I279 PolarHBondContact O-N 3.48Å; M275-I279 VanDerWaalsContact O-N 3.17Å; A276-I279 PolarHBondContact O-N 2.67Å; A277-I279 VanDerWaalsContact C-N 3.35Å; A277-I279 PolarHBondContact O-N 3.22Å; I279-E281 VanDerWaalsContact C-N 3.28Å; I279-E281 PolarHBondContact O-N 3.35Å; I279-G282 WeakPolarHBondContact O-CA 3.35Å; I279-G282 PolarHBondContact O-N 2.81Å; I279-I285 HydrophobicContact CD1-CD1 3.6Å; I279-I285 HydrophobicContact CD1-CG1 4.24Å; I279-I285 HydrophobicContact CG1-CD1 3.95Å; I279-I285 HydrophobicContact CG1-CG1 4.03Å; I279-I327 HydrophobicContact CD1-CB 4.1Å; I279-I327 HydrophobicContact CD1-CG2 3.54Å; I279-Y328 HydrophobicContact CD1-CD1 4.21Å; I279-Y328 HydrophobicContact CD1-CE1 3.8Å; I279-Y328 HydrophobicContact CG1-CE1 4.1Å; I279-Y328 HydrophobicContact CG2-CD1 4.32Å; I279-Y328 HydrophobicContact CG2-CE1 3.8Å |
| 280 | A | 83.7 | Confident | 83.6 | Confident | 79 Ų | 79 | 59.1 Ų | 59.1 | 65% | 0.653 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.4 | -37.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A276 A277 G282 | A276-A280 WeakPolarHBondContact O-CB 3.38Å; A276-A280 PolarHBondContact O-N 3.19Å; A277-A280 PolarHBondContact O-N 3.04Å; A280-G282 PolarHBondContact O-N 3.06Å |
| 281 | E | 85.3 | Confident | 83.2 | Confident | 115 Ų | 115 | 63.5 Ų | 63.5 | 54% | 0.537 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -0.6 | 172.1 | -68.4 | 176.9 | -164.9 | 0 | 0 | 113.7 | A277 Y278 I279 K283 | A277-E281 WeakPolarHBondContact O-CG 3.31Å; A277-E281 PolarHBondContact O-N 3.36Å; Y278-E281 PolarHBondContact O-N 2.75Å; I279-E281 VanDerWaalsContact C-N 3.28Å; I279-E281 PolarHBondContact O-N 3.35Å; E281-K283 HydrophobicContact CB-CD 4.01Å; E281-K283 HydrophobicContact CB-CG 4.05Å; E281-K283 PolarHBondContact O-N 3.47Å; E281-K283 VanDerWaalsContact OE2-CD 3.29Å; E281-K283 WeakPolarHBondContact OE2-CD 3.19Å; E281-K283 VanDerWaalsContact OE2-CE 3.25Å; E281-K283 WeakPolarHBondContact OE2-CE 3.44Å; E281-K283 IonicContact OE2-NZ 3.87Å; E281-K283 PolarHBondContact OE2-NZ 2.97Å |
| 282 | G | 83.5 | Confident | 82.9 | Confident | 71 Ų | 71 | 65 Ų | 65 | 73% | 0.732 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 14.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y278 I279 A280 | Y278-G282 PolarHBondContact O-N 3.1Å; I279-G282 WeakPolarHBondContact O-CA 3.35Å; I279-G282 PolarHBondContact O-N 2.81Å; A280-G282 PolarHBondContact O-N 3.06Å |
| 283 | K | 84.3 | Confident | 82.9 | Confident | 96 Ų | 96 | 68 Ų | 68 | 42% | 0.417 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -95.8 | 148.4 | -176.1 | -64.7 | 175.9 | -171.4 | 164.8 | 0 | 111.4 | Y278 E281 P295 | Y278-K283 CarbonylContact C-O 3.47Å; Y278-K283 HydrophobicContact CD1-CB 4.06Å; Y278-K283 HydrophobicContact CD1-CD 4.45Å; Y278-K283 WeakPolarHBondContact O-CA 2.97Å; Y278-K283 WeakPolarHBondContact O-CB 3.11Å; Y278-K283 PolarHBondContact O-N 3.01Å; Y278-K283 VanDerWaalsContact O-O 3.08Å; E281-K283 HydrophobicContact CB-CD 4.01Å; E281-K283 HydrophobicContact CB-CG 4.05Å; E281-K283 PolarHBondContact O-N 3.47Å; E281-K283 VanDerWaalsContact OE2-CD 3.29Å; E281-K283 WeakPolarHBondContact OE2-CD 3.19Å; E281-K283 VanDerWaalsContact OE2-CE 3.25Å; E281-K283 WeakPolarHBondContact OE2-CE 3.44Å; E281-K283 IonicContact OE2-NZ 3.87Å; E281-K283 PolarHBondContact OE2-NZ 2.97Å; K283-P295 HydrophobicContact CB-CG 4.45Å; K283-P295 HydrophobicContact CD-CG 4.4Å |
| 284 | R | 82.1 | Confident | 82.9 | Confident | 50 Ų | 50 | 68.5 Ų | 68.5 | 19% | 0.189 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 132.3 | 172.6 | -176.3 | 177.3 | 164.4 | -71.1 | 7.6 | 110.2 | P286 E290 I298 E302 | R284-P286 WeakPolarHBondContact O-CD 3.26Å; R284-E290 IonicContact CZ-OE1 3.95Å; R284-E290 IonicContact CZ-OE2 3.74Å; R284-E290 IonicContact NH1-OE1 2.73Å; R284-E290 IonicContact NH1-OE2 2.68Å; R284-E290 PolarHBondContact NH1-OE2 3.46Å; R284-E290 VanDerWaalsContact NH2-CD 3.3Å; R284-E290 IonicContact NH2-OE1 3.75Å; R284-E290 PolarHBondContact NH2-OE1 3.32Å; R284-E290 IonicContact NH2-OE2 3.51Å; R284-E290 PolarHBondContact NH2-OE2 3.29Å; R284-I298 VanDerWaalsContact NH2-CG2 3.26Å; R284-E302 IonicContact CZ-OE1 3.9Å; R284-E302 IonicContact CZ-OE2 3.52Å; R284-E302 IonicContact NE-OE1 2.75Å; R284-E302 IonicContact NE-OE2 3.53Å; R284-E302 PolarHBondContact NE-OE2 3.34Å; R284-E302 VanDerWaalsContact NE-OE2 3.11Å; R284-E302 IonicContact NH2-OE1 3.71Å; R284-E302 PolarHBondContact NH2-OE1 2.81Å; R284-E302 IonicContact NH2-OE2 2.73Å |
| 285 | I | 80.4 | Confident | 82.9 | Confident | 13 Ų | 13 | 67.9 Ų | 67.9 | 7% | 0.067 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 127 | 177.2 | -64.2 | 162 | 0 | 0 | 0 | 109.9 | M275 I279 R287 E324 I327 | M275-I285 HydrophobicContact CB-CD1 4.04Å; M275-I285 HydrophobicContact CB-CG1 4.26Å; M275-I285 HydrophobicContact CB-CG2 4.39Å; M275-I285 HydrophobicContact CE-CG2 4.37Å; M275-I285 HydrophobicContact CG-CD1 4.42Å; M275-I285 HydrophobicContact CG-CG2 3.85Å; M275-I285 HydrophobicContact SD-CG2 4.3Å; I279-I285 HydrophobicContact CD1-CD1 3.6Å; I279-I285 HydrophobicContact CD1-CG1 4.24Å; I279-I285 HydrophobicContact CG1-CD1 3.95Å; I279-I285 HydrophobicContact CG1-CG1 4.03Å; I285-R287 PolarHBondContact O-N 2.62Å; I285-E324 HydrophobicContact CD1-CG 3.88Å; I285-I327 HydrophobicContact CD1-CD1 4.29Å |
| 286 | P | 81.6 | Confident | 83.1 | Confident | 53 Ų | 53 | 73.7 Ų | 73.7 | 34% | 0.344 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 128.8 | 177.7 | -24.3 | 33.6 | 0 | 0 | 0 | 112.5 | Y278 R284 | Y278-P286 HydrophobicContact CD1-CG 4.17Å; Y278-P286 HydrophobicContact CD2-CG 4.34Å; Y278-P286 HydrophobicContact CE1-CG 3.73Å; Y278-P286 HydrophobicContact CE2-CG 3.94Å; Y278-P286 HydrophobicContact CG-CG 4.47Å; R284-P286 WeakPolarHBondContact O-CD 3.26Å |
| 287 | R | 80.7 | Confident | 83.3 | Confident | 51 Ų | 51 | 77.3 Ų | 77.3 | 19% | 0.192 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 159.7 | 175.2 | -46.6 | 177.4 | -177.4 | 145.7 | 1.8 | 111 | I285 G289 E290 E302 | I285-R287 PolarHBondContact O-N 2.62Å; R287-G289 PolarHBondContact O-N 3.07Å; R287-E290 VanDerWaalsContact CB-CD 3.44Å; R287-E290 HydrophobicContact CB-CG 4.08Å; R287-E290 VanDerWaalsContact CB-OE2 3.27Å; R287-E290 WeakPolarHBondContact CB-OE2 3.28Å; R287-E290 WeakPolarHBondContact CD-OE1 3.25Å; R287-E290 VanDerWaalsContact CG-OE2 3.3Å; R287-E290 WeakPolarHBondContact CG-OE2 3.43Å; R287-E290 PolarHBondContact N-OE2 3.23Å; R287-E290 IonicContact NH1-OE1 3.32Å; R287-E290 WeakPolarHBondContact O-CB 3.16Å; R287-E290 PolarHBondContact O-N 2.91Å; R287-E302 IonicContact CZ-OE1 3.4Å; R287-E302 IonicContact NH1-OE1 2.68Å; R287-E302 PolarHBondContact NH1-OE1 3.34Å; R287-E302 IonicContact NH2-OE1 3.2Å |
| 288 | R | 75.8 | Confident | 83.2 | Confident | 233 Ų | 233 | 75.3 Ų | 75.3 | 88% | 0.879 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 121.9 | 175.9 | -177.1 | 178.1 | 179.5 | -129.5 | -1 | 110.2 | ||
| 289 | G | 76.5 | Confident | 83.2 | Confident | 48 Ų | 48 | 75.5 Ų | 75.5 | 50% | 0.495 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.2 | -3.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R287 | R287-G289 PolarHBondContact O-N 3.07Š|
| 290 | E | 83.6 | Confident | 83.6 | Confident | 3 Ų | 3 | 76.1 Ų | 76.1 | 1% | 0.014 | 43% | 0.43 | C | S | . | . | trans | -108.7 | -1.3 | 174.7 | -51.3 | 177.2 | 168.2 | 0 | 0 | 111.7 | R284 R287 G292 L293 I298 M308 | R284-E290 IonicContact CZ-OE1 3.95Å; R284-E290 IonicContact CZ-OE2 3.74Å; R284-E290 IonicContact NH1-OE1 2.73Å; R284-E290 IonicContact NH1-OE2 2.68Å; R284-E290 PolarHBondContact NH1-OE2 3.46Å; R284-E290 VanDerWaalsContact NH2-CD 3.3Å; R284-E290 IonicContact NH2-OE1 3.75Å; R284-E290 PolarHBondContact NH2-OE1 3.32Å; R284-E290 IonicContact NH2-OE2 3.51Å; R284-E290 PolarHBondContact NH2-OE2 3.29Å; R287-E290 VanDerWaalsContact CB-CD 3.44Å; R287-E290 HydrophobicContact CB-CG 4.08Å; R287-E290 VanDerWaalsContact CB-OE2 3.27Å; R287-E290 WeakPolarHBondContact CB-OE2 3.28Å; R287-E290 WeakPolarHBondContact CD-OE1 3.25Å; R287-E290 VanDerWaalsContact CG-OE2 3.3Å; R287-E290 WeakPolarHBondContact CG-OE2 3.43Å; R287-E290 PolarHBondContact N-OE2 3.23Å; R287-E290 IonicContact NH1-OE1 3.32Å; R287-E290 WeakPolarHBondContact O-CB 3.16Å; R287-E290 PolarHBondContact O-N 2.91Å; E290-G292 PolarHBondContact O-N 2.9Å; E290-G292 VanDerWaalsContact O-N 3.1Å; E290-L293 PolarHBondContact O-N 2.85Å; E290-I298 HydrophobicContact CB-CD1 3.77Å; E290-I298 HydrophobicContact CB-CG1 4.5Å; E290-I298 HydrophobicContact CG-CD1 4.45Å; E290-M308 HydrophobicContact CB-CE 4.45Å; E290-M308 HydrophobicContact CG-CB 4.42Å; E290-M308 HydrophobicContact CG-CE 3.81Å; E290-M308 HydrophobicContact CG-CG 4.43Å | ||
| 291 | I | 76.1 | Confident | 83.9 | Confident | 148 Ų | 148 | 75.7 Ų | 75.7 | 76% | 0.759 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 112.7 | 177.8 | -56.6 | 170.1 | 0 | 0 | 0 | 107.7 | ||
| 292 | G | 82.2 | Confident | 83.9 | Confident | 78 Ų | 78 | 73.4 Ų | 73.4 | 80% | 0.804 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115 | -7.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | E290 | E290-G292 PolarHBondContact O-N 2.9Å; E290-G292 VanDerWaalsContact O-N 3.1Å |
| 293 | L | 85.3 | Confident | 84.2 | Confident | 68 Ų | 68 | 77.3 Ų | 77.3 | 36% | 0.356 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -103.6 | 145.1 | 167.3 | -62.8 | 174.3 | 0 | 0 | 0 | 109.8 | E290 I298 F301 M308 | E290-L293 PolarHBondContact O-N 2.85Å; L293-I298 HydrophobicContact CB-CD1 4.05Å; L293-I298 HydrophobicContact CB-CG1 3.72Å; L293-I298 HydrophobicContact CD1-CG1 4.23Å; L293-F301 HydrophobicContact CD1-CE2 4.4Å; L293-F301 HydrophobicContact CD2-CE2 4.47Å; L293-M308 HydrophobicContact CD1-CE 3.58Å |
| 294 | T | 87.4 | Confident | 84.5 | Confident | 66 Ų | 66 | 79.1 Ų | 79.1 | 41% | 0.405 | 41% | 0.409 | S | S | . | . | trans | -72.6 | 151.2 | 173.5 | 63.8 | 0 | 0 | 0 | 0 | 110.4 | E296 E297 I298 | T294-E296 PolarHBondContact O-N 3Å; T294-E297 WeakPolarHBondContact CB-OE2 3.16Å; T294-E297 PolarHBondContact N-OE2 3.02Å; T294-E297 PolarHBondContact O-N 3.21Å; T294-E297 WeakPolarHBondContact OG1-CB 3.21Å; T294-E297 WeakPolarHBondContact OG1-CG 3.38Å; T294-E297 PolarHBondContact OG1-N 2.89Å; T294-E297 PolarHBondContact OG1-OE2 2.87Å; T294-I298 WeakPolarHBondContact O-CG1 3.18Å; T294-I298 PolarHBondContact O-N 2.99Å; T294-I298 VanDerWaalsContact O-N 3.08Å | ||
| 295 | P | 85.2 | Confident | 84.8 | Confident | 41 Ų | 41 | 79.3 Ų | 79.3 | 27% | 0.266 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -55.1 | -35.7 | 176.8 | -26.5 | 35.2 | 0 | 0 | 0 | 113.2 | K283 I298 E299 | K283-P295 HydrophobicContact CB-CG 4.45Å; K283-P295 HydrophobicContact CD-CG 4.4Å; P295-I298 PolarHBondContact O-N 3.3Å; P295-E299 PolarHBondContact O-N 3.32Å |
| 296 | E | 88.9 | Confident | 85.1 | Confident | 157 Ų | 157 | 85.7 Ų | 85.7 | 73% | 0.734 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.6 | -44 | 178.9 | -63.6 | 175.7 | -171 | 0 | 0 | 112.1 | T294 I298 E299 S300 | T294-E296 PolarHBondContact O-N 3Å; E296-I298 VanDerWaalsContact C-N 3.33Å; E296-I298 PolarHBondContact O-N 3.26Å; E296-E299 PolarHBondContact O-N 2.73Å; E296-S300 PolarHBondContact O-N 3.48Å |
| 297 | E | 90.2 | Very high | 85 | Confident | 82 Ų | 82 | 86.6 Ų | 86.6 | 38% | 0.383 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 174.5 | -73.4 | 164.7 | 149.8 | 0 | 0 | 111.7 | T294 E299 S300 F301 | T294-E297 WeakPolarHBondContact CB-OE2 3.16Å; T294-E297 PolarHBondContact N-OE2 3.02Å; T294-E297 PolarHBondContact O-N 3.21Å; T294-E297 WeakPolarHBondContact OG1-CB 3.21Å; T294-E297 WeakPolarHBondContact OG1-CG 3.38Å; T294-E297 PolarHBondContact OG1-N 2.89Å; T294-E297 PolarHBondContact OG1-OE2 2.87Å; E297-E299 VanDerWaalsContact C-N 3.3Å; E297-E299 PolarHBondContact O-N 2.75Å; E297-S300 PolarHBondContact O-N 2.87Å; E297-S300 PolarHBondContact O-OG 3.45Å; E297-F301 HydrophobicContact CB-CE2 4.15Å; E297-F301 WeakPolarHBondContact O-CD2 3.48Å; E297-F301 VanDerWaalsContact O-CG 3.31Å; E297-F301 WeakPolarHBondContact O-CG 3.48Å; E297-F301 PolarHBondContact O-N 3.3Å |
| 298 | I | 84.5 | Confident | 84.8 | Confident | 5 Ų | 5 | 85.5 Ų | 85.5 | 3% | 0.026 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 178.8 | -59.2 | 159.5 | 0 | 0 | 0 | 110.2 | R284 E290 L293 T294 P295 E296 F301 E302 M308 | R284-I298 VanDerWaalsContact NH2-CG2 3.26Å; E290-I298 HydrophobicContact CB-CD1 3.77Å; E290-I298 HydrophobicContact CB-CG1 4.5Å; E290-I298 HydrophobicContact CG-CD1 4.45Å; L293-I298 HydrophobicContact CB-CD1 4.05Å; L293-I298 HydrophobicContact CB-CG1 3.72Å; L293-I298 HydrophobicContact CD1-CG1 4.23Å; T294-I298 WeakPolarHBondContact O-CG1 3.18Å; T294-I298 PolarHBondContact O-N 2.99Å; T294-I298 VanDerWaalsContact O-N 3.08Å; P295-I298 PolarHBondContact O-N 3.3Å; E296-I298 VanDerWaalsContact C-N 3.33Å; E296-I298 PolarHBondContact O-N 3.26Å; I298-F301 PolarHBondContact O-N 2.8Å; I298-E302 HydrophobicContact CG2-CG 4.35Å; I298-E302 WeakPolarHBondContact O-CB 3.41Å; I298-E302 WeakPolarHBondContact O-CG 3.37Å; I298-E302 PolarHBondContact O-N 3.11Å; I298-M308 HydrophobicContact CG2-CG 4.29Å |
| 299 | E | 86.6 | Confident | 84.6 | Confident | 97 Ų | 97 | 78.3 Ų | 78.3 | 45% | 0.453 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 176.8 | -161.6 | -169.4 | 163.8 | 0 | 0 | 111.9 | P295 E296 E297 E302 K303 | P295-E299 PolarHBondContact O-N 3.32Å; E296-E299 PolarHBondContact O-N 2.73Å; E297-E299 VanDerWaalsContact C-N 3.3Å; E297-E299 PolarHBondContact O-N 2.75Å; E299-E302 PolarHBondContact O-N 3.17Å; E299-K303 HydrophobicContact CG-CD 4.42Å; E299-K303 WeakPolarHBondContact O-CB 3.47Å; E299-K303 VanDerWaalsContact O-CG 3.24Å; E299-K303 WeakPolarHBondContact O-CG 3.37Å; E299-K303 PolarHBondContact O-N 3.44Å; E299-K303 WeakPolarHBondContact OE1-CE 3.47Å; E299-K303 IonicContact OE1-NZ 3.74Å; E299-K303 PolarHBondContact OE1-NZ 3.31Å; E299-K303 IonicContact OE2-NZ 3.81Å |
| 300 | S | 91.4 | Very high | 84.3 | Confident | 45 Ų | 45 | 78 Ų | 78 | 32% | 0.315 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 175.7 | 66.5 | 0 | 0 | 0 | 0 | 111.8 | E296 E297 E302 K303 E304 | E296-S300 PolarHBondContact O-N 3.48Å; E297-S300 PolarHBondContact O-N 2.87Å; E297-S300 PolarHBondContact O-OG 3.45Å; S300-E302 PolarHBondContact O-N 3.46Å; S300-K303 WeakPolarHBondContact O-CB 3.45Å; S300-K303 PolarHBondContact O-N 3.04Å; S300-E304 WeakPolarHBondContact O-CG 3.32Å; S300-E304 PolarHBondContact O-N 3.35Å |
| 301 | F | 89.5 | Confident | 83.9 | Confident | 70 Ų | 70 | 79.2 Ų | 79.2 | 31% | 0.307 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 175.6 | -68.1 | -42.4 | 0 | 0 | 0 | 112.5 | L293 E297 I298 E304 G305 Y306 | L293-F301 HydrophobicContact CD1-CE2 4.4Å; L293-F301 HydrophobicContact CD2-CE2 4.47Å; E297-F301 HydrophobicContact CB-CE2 4.15Å; E297-F301 WeakPolarHBondContact O-CD2 3.48Å; E297-F301 VanDerWaalsContact O-CG 3.31Å; E297-F301 WeakPolarHBondContact O-CG 3.48Å; E297-F301 PolarHBondContact O-N 3.3Å; I298-F301 PolarHBondContact O-N 2.8Å; F301-E304 PolarHBondContact O-N 3.46Å; F301-G305 PolarHBondContact O-N 3.16Å; F301-Y306 HydrophobicContact CB-CD2 4.35Å; F301-Y306 HydrophobicContact CD1-CD2 4.08Å; F301-Y306 HydrophobicContact CD1-CE2 4.49Å; F301-Y306 WeakPolarHBondContact O-CB 3.45Å; F301-Y306 PolarHBondContact O-N 2.95Å |
| 302 | E | 86.9 | Confident | 83.9 | Confident | 67 Ų | 67 | 81.7 Ų | 81.7 | 31% | 0.313 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 175.7 | -74.9 | -177 | 157.2 | 0 | 0 | 111.4 | R284 R287 I298 E299 S300 G305 | R284-E302 IonicContact CZ-OE1 3.9Å; R284-E302 IonicContact CZ-OE2 3.52Å; R284-E302 IonicContact NE-OE1 2.75Å; R284-E302 IonicContact NE-OE2 3.53Å; R284-E302 PolarHBondContact NE-OE2 3.34Å; R284-E302 VanDerWaalsContact NE-OE2 3.11Å; R284-E302 IonicContact NH2-OE1 3.71Å; R284-E302 PolarHBondContact NH2-OE1 2.81Å; R284-E302 IonicContact NH2-OE2 2.73Å; R287-E302 IonicContact CZ-OE1 3.4Å; R287-E302 IonicContact NH1-OE1 2.68Å; R287-E302 PolarHBondContact NH1-OE1 3.34Å; R287-E302 IonicContact NH2-OE1 3.2Å; I298-E302 HydrophobicContact CG2-CG 4.35Å; I298-E302 WeakPolarHBondContact O-CB 3.41Å; I298-E302 WeakPolarHBondContact O-CG 3.37Å; I298-E302 PolarHBondContact O-N 3.11Å; E299-E302 PolarHBondContact O-N 3.17Å; S300-E302 PolarHBondContact O-N 3.46Å; E302-G305 PolarHBondContact O-N 3.17Å; E302-G305 VanDerWaalsContact O-N 3.16Å |
| 303 | K | 88.5 | Confident | 84.1 | Confident | 152 Ų | 152 | 82.4 Ų | 82.4 | 66% | 0.661 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.4 | -38.4 | 174.9 | -76.8 | 168.9 | -177.9 | 164.5 | 0 | 112.8 | E299 S300 G305 | E299-K303 HydrophobicContact CG-CD 4.42Å; E299-K303 WeakPolarHBondContact O-CB 3.47Å; E299-K303 VanDerWaalsContact O-CG 3.24Å; E299-K303 WeakPolarHBondContact O-CG 3.37Å; E299-K303 PolarHBondContact O-N 3.44Å; E299-K303 WeakPolarHBondContact OE1-CE 3.47Å; E299-K303 IonicContact OE1-NZ 3.74Å; E299-K303 PolarHBondContact OE1-NZ 3.31Å; E299-K303 IonicContact OE2-NZ 3.81Å; S300-K303 WeakPolarHBondContact O-CB 3.45Å; S300-K303 PolarHBondContact O-N 3.04Å; K303-G305 PolarHBondContact O-N 3.43Å |
| 304 | E | 91.2 | Very high | 84.1 | Confident | 134 Ų | 134 | 89.5 Ų | 89.5 | 63% | 0.626 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -73.4 | -9.3 | 175.5 | -70.5 | 176.7 | -170.7 | 0 | 0 | 113.2 | S300 F301 Y306 | S300-E304 WeakPolarHBondContact O-CG 3.32Å; S300-E304 PolarHBondContact O-N 3.35Å; F301-E304 PolarHBondContact O-N 3.46Å; E304-Y306 HydrophobicContact CB-CD2 3.88Å; E304-Y306 HydrophobicContact CB-CE2 4.03Å; E304-Y306 WeakPolarHBondContact OE2-CE2 3.49Å |
| 305 | G | 87.8 | Confident | 84.1 | Confident | 55 Ų | 55 | 96 Ų | 96 | 57% | 0.567 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.3 | 10.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | F301 E302 K303 | F301-G305 PolarHBondContact O-N 3.16Å; E302-G305 PolarHBondContact O-N 3.17Å; E302-G305 VanDerWaalsContact O-N 3.16Å; K303-G305 PolarHBondContact O-N 3.43Å |
| 306 | Y | 87.1 | Confident | 83.9 | Confident | 147 Ų | 147 | 99.2 Ų | 99.2 | 58% | 0.576 | 48% | 0.478 | S | S | * | . | trans | -68.6 | 134.8 | 169.6 | -68.4 | -79.8 | 0 | 0 | 0 | 110.2 | F301 E304 | F301-Y306 HydrophobicContact CB-CD2 4.35Å; F301-Y306 HydrophobicContact CD1-CD2 4.08Å; F301-Y306 HydrophobicContact CD1-CE2 4.49Å; F301-Y306 WeakPolarHBondContact O-CB 3.45Å; F301-Y306 PolarHBondContact O-N 2.95Å; E304-Y306 HydrophobicContact CB-CD2 3.88Å; E304-Y306 HydrophobicContact CB-CE2 4.03Å; E304-Y306 WeakPolarHBondContact OE2-CE2 3.49Å | ||
| 307 | V | 78.9 | Confident | 83.6 | Confident | 72 Ų | 72 | 95 Ų | 95 | 44% | 0.436 | 46% | 0.458 | S | S | . | . | trans | -105.8 | 111.4 | -179.3 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | R312 | V307-R312 HydrophobicContact CB-CG 4.44Å; V307-R312 HydrophobicContact CG1-CG 3.46Å; V307-R312 VanDerWaalsContact CG1-CG 3.46Å | ||
| 308 | M | 77.1 | Confident | 83.4 | Confident | 28 Ų | 28 | 93.7 Ų | 93.7 | 14% | 0.138 | 46% | 0.461 | C | S | . | . | trans | -60.8 | 151.3 | 178.1 | -60 | -52.9 | -76.1 | 0 | 0 | 112.3 | E290 L293 I298 G310 S311 | E290-M308 HydrophobicContact CB-CE 4.45Å; E290-M308 HydrophobicContact CG-CB 4.42Å; E290-M308 HydrophobicContact CG-CE 3.81Å; E290-M308 HydrophobicContact CG-CG 4.43Å; L293-M308 HydrophobicContact CD1-CE 3.58Å; I298-M308 HydrophobicContact CG2-CG 4.29Å; M308-G310 PolarHBondContact O-N 3.2Å; M308-G310 VanDerWaalsContact O-N 3.14Å; M308-S311 PolarHBondContact O-N 3.46Å; M308-S311 VanDerWaalsContact O-N 3.15Å | ||
| 309 | S | 71 | Confident | 83.3 | Confident | 81 Ų | 81 | 96.8 Ų | 96.8 | 57% | 0.566 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 120.3 | 176.4 | 66.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 310 | G | 70.9 | Confident | 83.3 | Confident | 42 Ų | 42 | 94.6 Ų | 94.6 | 43% | 0.433 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 108.9 | -27.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | M308 R312 H313 | M308-G310 PolarHBondContact O-N 3.2Å; M308-G310 VanDerWaalsContact O-N 3.14Å; G310-R312 VanDerWaalsContact C-N 3.28Å; G310-R312 PolarHBondContact O-N 2.67Å; G310-H313 PolarHBondContact O-N 3.33Å |
| 311 | S | 74.5 | Confident | 83 | Confident | 28 Ų | 28 | 95.8 Ų | 95.8 | 20% | 0.196 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -18.6 | -178.3 | -55.7 | 0 | 0 | 0 | 0 | 113.9 | M308 | M308-S311 PolarHBondContact O-N 3.46Å; M308-S311 VanDerWaalsContact O-N 3.15Å |
| 312 | R | 77 | Confident | 83 | Confident | 201 Ų | 201 | 100.6 Ų | 100.6 | 76% | 0.758 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -15.1 | 177.7 | -62.6 | -177.3 | -178.8 | 160.6 | 0.9 | 114.3 | V307 G310 R314 | V307-R312 HydrophobicContact CB-CG 4.44Å; V307-R312 HydrophobicContact CG1-CG 3.46Å; V307-R312 VanDerWaalsContact CG1-CG 3.46Å; G310-R312 VanDerWaalsContact C-N 3.28Å; G310-R312 PolarHBondContact O-N 2.67Å; R312-R314 PolarHBondContact O-N 2.86Å |
| 313 | H | 85.4 | Confident | 83 | Confident | 92 Ų | 92 | 100.3 Ų | 100.3 | 43% | 0.426 | 48% | 0.484 | S | S | . | . | trans | -97.8 | 97.6 | -171 | -170.6 | 79.8 | 0 | 0 | 0 | 111.5 | G310 R315 M316 E317 | G310-H313 PolarHBondContact O-N 3.33Å; H313-R315 PolarHBondContact O-N 3.36Å; H313-M316 HydrophobicContact CB-CB 4.28Å; H313-M316 HydrophobicContact CB-CE 3.34Å; H313-M316 VanDerWaalsContact CD2-CG 3.48Å; H313-M316 WeakPolarHBondContact CD2-CG 3.1Å; H313-M316 PolarHBondContact CD2-N 3.04Å; H313-M316 VanDerWaalsContact CD2-N 3.31Å; H313-M316 PolarHBondContact O-N 3.41Å; H313-E317 PolarHBondContact O-N 3.3Å | ||
| 314 | R | 86.5 | Confident | 82.9 | Confident | 217 Ų | 217 | 94.3 Ų | 94.3 | 82% | 0.819 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -46.8 | -39.5 | -175.1 | -63.5 | -175.6 | 180 | -177.6 | -0.6 | 115 | R312 A318 | R312-R314 PolarHBondContact O-N 2.86Å; R314-A318 WeakPolarHBondContact O-CB 3.36Å; R314-A318 PolarHBondContact O-N 2.96Å |
| 315 | R | 87.3 | Confident | 82.7 | Confident | 204 Ų | 204 | 92.1 Ų | 92.1 | 77% | 0.77 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -71.4 | -35.5 | -179.6 | -62.8 | -177.4 | -179 | 173.4 | 1.2 | 112.8 | H313 V319 | H313-R315 PolarHBondContact O-N 3.36Å; R315-V319 WeakPolarHBondContact O-CG2 3.4Å; R315-V319 PolarHBondContact O-N 3Å |
| 316 | M | 81.4 | Confident | 82.7 | Confident | 107 Ų | 107 | 91.4 Ų | 91.4 | 53% | 0.527 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -75 | -39.7 | 177.5 | -81.5 | -173.5 | -56 | 0 | 0 | 109.4 | H313 A318 V319 R320 | H313-M316 HydrophobicContact CB-CB 4.28Å; H313-M316 HydrophobicContact CB-CE 3.34Å; H313-M316 VanDerWaalsContact CD2-CG 3.48Å; H313-M316 WeakPolarHBondContact CD2-CG 3.1Å; H313-M316 PolarHBondContact CD2-N 3.04Å; H313-M316 VanDerWaalsContact CD2-N 3.31Å; H313-M316 PolarHBondContact O-N 3.41Å; M316-A318 VanDerWaalsContact C-N 3.33Å; M316-A318 PolarHBondContact O-N 3.01Å; M316-V319 PolarHBondContact O-N 3.37Å; M316-V319 VanDerWaalsContact O-N 3.15Å; M316-R320 PolarHBondContact O-N 3.46Å |
| 317 | E | 81.9 | Confident | 82.6 | Confident | 70 Ų | 70 | 84.4 Ų | 84.4 | 33% | 0.327 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 174.6 | -163.5 | -168.7 | 179.1 | 0 | 0 | 111.9 | H313 V319 R320 L321 | H313-E317 PolarHBondContact O-N 3.3Å; E317-V319 VanDerWaalsContact C-N 3.3Å; E317-V319 PolarHBondContact O-N 3.15Å; E317-R320 WeakPolarHBondContact O-CB 3.05Å; E317-R320 PolarHBondContact O-N 3.46Å; E317-R320 IonicContact OE1-NH2 3.97Å; E317-R320 PolarHBondContact OE1-NH2 3.28Å; E317-L321 HydrophobicContact CG-CD1 4.48Å; E317-L321 WeakPolarHBondContact O-CG 3.43Å; E317-L321 PolarHBondContact O-N 2.89Å |
| 318 | A | 85.1 | Confident | 82.8 | Confident | 53 Ų | 53 | 86.5 Ų | 86.5 | 44% | 0.438 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.4 | -34.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R314 M316 R322 | R314-A318 WeakPolarHBondContact O-CB 3.36Å; R314-A318 PolarHBondContact O-N 2.96Å; M316-A318 VanDerWaalsContact C-N 3.33Å; M316-A318 PolarHBondContact O-N 3.01Å; A318-R322 WeakPolarHBondContact O-CB 3.47Å; A318-R322 PolarHBondContact O-N 2.96Å |
| 319 | V | 84.2 | Confident | 83.3 | Confident | 71 Ų | 71 | 88.4 Ų | 88.4 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.5 | -41.5 | 173.7 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | R315 M316 E317 R322 K323 | R315-V319 WeakPolarHBondContact O-CG2 3.4Å; R315-V319 PolarHBondContact O-N 3Å; M316-V319 PolarHBondContact O-N 3.37Å; M316-V319 VanDerWaalsContact O-N 3.15Å; E317-V319 VanDerWaalsContact C-N 3.3Å; E317-V319 PolarHBondContact O-N 3.15Å; V319-R322 WeakPolarHBondContact O-CB 3.27Å; V319-R322 PolarHBondContact O-N 2.99Å; V319-K323 WeakPolarHBondContact O-CG 3.44Å; V319-K323 PolarHBondContact O-N 3.05Å |
| 320 | R | 85.7 | Confident | 84 | Confident | 51 Ų | 51 | 85.4 Ų | 85.4 | 19% | 0.192 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57 | -56 | 173.9 | 175.2 | -168 | 67.6 | 77.5 | -2 | 110.7 | M316 E317 R322 K323 E324 | M316-R320 PolarHBondContact O-N 3.46Å; E317-R320 WeakPolarHBondContact O-CB 3.05Å; E317-R320 PolarHBondContact O-N 3.46Å; E317-R320 IonicContact OE1-NH2 3.97Å; E317-R320 PolarHBondContact OE1-NH2 3.28Å; R320-R322 PolarHBondContact O-N 3.38Å; R320-K323 WeakPolarHBondContact O-CB 3.35Å; R320-K323 PolarHBondContact O-N 2.84Å; R320-E324 WeakPolarHBondContact CD-OE1 3.18Å; R320-E324 HydrophobicContact CG-CG 4.41Å; R320-E324 WeakPolarHBondContact CG-OE1 3.39Å; R320-E324 IonicContact CZ-OE1 3.03Å; R320-E324 IonicContact CZ-OE2 3.77Å; R320-E324 IonicContact NE-OE1 2.84Å; R320-E324 IonicContact NH1-OE1 2.67Å; R320-E324 PolarHBondContact NH1-OE1 2.95Å; R320-E324 IonicContact NH1-OE2 3.92Å; R320-E324 PolarHBondContact NH1-OE2 3.18Å; R320-E324 WeakPolarHBondContact O-CG 3.33Å; R320-E324 PolarHBondContact O-N 3.2Å |
| 321 | L | 85.2 | Confident | 84.6 | Confident | 69 Ų | 69 | 85.2 Ų | 85.2 | 36% | 0.361 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57 | -37.3 | 178.5 | -72.5 | 171.5 | 0 | 0 | 0 | 111.9 | E317 N325 | E317-L321 HydrophobicContact CG-CD1 4.48Å; E317-L321 WeakPolarHBondContact O-CG 3.43Å; E317-L321 PolarHBondContact O-N 2.89Å; L321-N325 WeakPolarHBondContact O-CB 3.37Å; L321-N325 PolarHBondContact O-N 2.75Å; L321-N325 PolarHBondContact O-ND2 3.38Å; L321-N325 PolarHBondContact O-OD1 2.9Å |
| 322 | R | 88.5 | Confident | 85.1 | Confident | 171 Ų | 171 | 89.8 Ų | 89.8 | 65% | 0.645 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.6 | -45.9 | 174.6 | -172.7 | -168.6 | -53.6 | -163.6 | -0.5 | 112.3 | A318 V319 R320 Q326 | A318-R322 WeakPolarHBondContact O-CB 3.47Å; A318-R322 PolarHBondContact O-N 2.96Å; V319-R322 WeakPolarHBondContact O-CB 3.27Å; V319-R322 PolarHBondContact O-N 2.99Å; R320-R322 PolarHBondContact O-N 3.38Å; R322-Q326 WeakPolarHBondContact O-CB 3.5Å; R322-Q326 PolarHBondContact O-N 3.15Å |
| 323 | K | 87.2 | Confident | 85.6 | Confident | 61 Ų | 61 | 86.4 Ų | 86.4 | 27% | 0.265 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 178.6 | -73.8 | -172.9 | 166.7 | -158.4 | 0 | 111.5 | L267 E271 V319 R320 Q326 I327 | L267-K323 HydrophobicContact CD2-CB 4.04Å; L267-K323 HydrophobicContact CD2-CD 3.87Å; L267-K323 HydrophobicContact CD2-CG 3.77Å; E271-K323 IonicContact OE1-NZ 3.97Å; E271-K323 PolarHBondContact OE1-NZ 2.73Å; E271-K323 IonicContact OE2-NZ 2.75Å; V319-K323 WeakPolarHBondContact O-CG 3.44Å; V319-K323 PolarHBondContact O-N 3.05Å; R320-K323 WeakPolarHBondContact O-CB 3.35Å; R320-K323 PolarHBondContact O-N 2.84Å; K323-Q326 WeakPolarHBondContact O-CB 3.36Å; K323-Q326 PolarHBondContact O-N 3.22Å; K323-I327 WeakPolarHBondContact O-CD1 3.41Å; K323-I327 PolarHBondContact O-N 3.37Å |
| 324 | E | 86 | Confident | 85.5 | Confident | 26 Ų | 26 | 84.5 Ų | 84.5 | 12% | 0.121 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.1 | -49.1 | 175.6 | -68.9 | 175.1 | -166.9 | 0 | 0 | 110.9 | I285 R320 Q326 I327 Y328 | I285-E324 HydrophobicContact CD1-CG 3.88Å; R320-E324 WeakPolarHBondContact CD-OE1 3.18Å; R320-E324 HydrophobicContact CG-CG 4.41Å; R320-E324 WeakPolarHBondContact CG-OE1 3.39Å; R320-E324 IonicContact CZ-OE1 3.03Å; R320-E324 IonicContact CZ-OE2 3.77Å; R320-E324 IonicContact NE-OE1 2.84Å; R320-E324 IonicContact NH1-OE1 2.67Å; R320-E324 PolarHBondContact NH1-OE1 2.95Å; R320-E324 IonicContact NH1-OE2 3.92Å; R320-E324 PolarHBondContact NH1-OE2 3.18Å; R320-E324 WeakPolarHBondContact O-CG 3.33Å; R320-E324 PolarHBondContact O-N 3.2Å; E324-Q326 PolarHBondContact O-N 2.68Å; E324-I327 PolarHBondContact O-N 3.04Å; E324-Y328 HydrophobicContact CB-CD2 4.34Å; E324-Y328 HydrophobicContact CB-CE2 4.08Å; E324-Y328 VanDerWaalsContact O-CD2 3.27Å; E324-Y328 WeakPolarHBondContact O-CD2 3.45Å; E324-Y328 PolarHBondContact O-N 3.31Å |
| 325 | N | 88.5 | Confident | 85.4 | Confident | 88 Ų | 88 | 77 Ų | 77 | 47% | 0.471 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.2 | -30.1 | 176.9 | -71.1 | -5.9 | 0 | 0 | 0 | 112.7 | L321 I327 S329 | L321-N325 WeakPolarHBondContact O-CB 3.37Å; L321-N325 PolarHBondContact O-N 2.75Å; L321-N325 PolarHBondContact O-ND2 3.38Å; L321-N325 PolarHBondContact O-OD1 2.9Å; N325-I327 VanDerWaalsContact C-N 3.29Å; N325-S329 WeakPolarHBondContact O-CB 3.36Å; N325-S329 PolarHBondContact O-N 3.03Å; N325-S329 PolarHBondContact O-OG 3.08Å |
| 326 | Q | 87.4 | Confident | 85.4 | Confident | 40 Ų | 40 | 71.6 Ų | 71.6 | 19% | 0.187 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.5 | -36 | 175.9 | 179.9 | 176.9 | -1.1 | 0 | 0 | 111.3 | Y263 G264 R322 K323 E324 A330 | Y263-Q326 WeakPolarHBondContact O-CG 3.3Å; Y263-Q326 PolarHBondContact O-NE2 3.44Å; G264-Q326 PolarHBondContact O-NE2 2.93Å; R322-Q326 WeakPolarHBondContact O-CB 3.5Å; R322-Q326 PolarHBondContact O-N 3.15Å; K323-Q326 WeakPolarHBondContact O-CB 3.36Å; K323-Q326 PolarHBondContact O-N 3.22Å; E324-Q326 PolarHBondContact O-N 2.68Å; Q326-A330 WeakPolarHBondContact O-CB 3.09Å; Q326-A330 PolarHBondContact O-N 3.41Å |
| 327 | I | 85.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -76.9 | -48.3 | 176.1 | -59.7 | 150.8 | 0 | 0 | 0 | 110.1 | Y263 L267 M275 A276 I279 I285 K323 E324 N325 S329 A330 D331 | Y263-I327 HydrophobicContact CD1-CG1 4.35Å; Y263-I327 HydrophobicContact CD1-CG2 4.27Å; Y263-I327 HydrophobicContact CE1-CG2 4.15Å; L267-I327 HydrophobicContact CD1-CD1 4.32Å; L267-I327 HydrophobicContact CD1-CG1 4.02Å; M275-I327 HydrophobicContact CB-CD1 3.29Å; M275-I327 HydrophobicContact CB-CG1 4.41Å; M275-I327 HydrophobicContact CG-CD1 3.93Å; M275-I327 HydrophobicContact SD-CD1 3.39Å; M275-I327 WeakPolarHBondContact SD-CD1 3.45Å; A276-I327 HydrophobicContact CB-CG2 3.99Å; I279-I327 HydrophobicContact CD1-CB 4.1Å; I279-I327 HydrophobicContact CD1-CG2 3.54Å; I285-I327 HydrophobicContact CD1-CD1 4.29Å; K323-I327 WeakPolarHBondContact O-CD1 3.41Å; K323-I327 PolarHBondContact O-N 3.37Å; E324-I327 PolarHBondContact O-N 3.04Å; N325-I327 VanDerWaalsContact C-N 3.29Å; I327-S329 VanDerWaalsContact C-N 3.26Å; I327-S329 PolarHBondContact O-N 3.45Å; I327-A330 WeakPolarHBondContact O-CB 3.15Å; I327-A330 PolarHBondContact O-N 2.98Å; I327-D331 WeakPolarHBondContact CG2-OD2 3.24Å; I327-D331 PolarHBondContact O-N 3.47Å |
| 328 | Y | 83 | Confident | 85.9 | Confident | 116 Ų | 116 | 74.7 Ų | 74.7 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.4 | -41.5 | 175.2 | -68.8 | -51.8 | 0 | 0 | 0 | 112.2 | I279 E324 A330 E332 | I279-Y328 HydrophobicContact CD1-CD1 4.21Å; I279-Y328 HydrophobicContact CD1-CE1 3.8Å; I279-Y328 HydrophobicContact CG1-CE1 4.1Å; I279-Y328 HydrophobicContact CG2-CD1 4.32Å; I279-Y328 HydrophobicContact CG2-CE1 3.8Å; E324-Y328 HydrophobicContact CB-CD2 4.34Å; E324-Y328 HydrophobicContact CB-CE2 4.08Å; E324-Y328 VanDerWaalsContact O-CD2 3.27Å; E324-Y328 WeakPolarHBondContact O-CD2 3.45Å; E324-Y328 PolarHBondContact O-N 3.31Å; Y328-A330 VanDerWaalsContact C-N 3.33Å; Y328-A330 PolarHBondContact O-N 2.83Å; Y328-E332 WeakPolarHBondContact O-CB 3.43Å; Y328-E332 PolarHBondContact O-N 3.3Å |
| 329 | S | 87.1 | Confident | 86 | Confident | 69 Ų | 69 | 78.1 Ų | 78.1 | 48% | 0.483 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.5 | -36.1 | 177 | -58.5 | 0 | 0 | 0 | 0 | 112 | N325 I327 K333 | N325-S329 WeakPolarHBondContact O-CB 3.36Å; N325-S329 PolarHBondContact O-N 3.03Å; N325-S329 PolarHBondContact O-OG 3.08Å; I327-S329 VanDerWaalsContact C-N 3.26Å; I327-S329 PolarHBondContact O-N 3.45Å; S329-K333 WeakPolarHBondContact O-CB 3.25Å; S329-K333 PolarHBondContact O-N 3.49Å |
| 330 | A | 85.8 | Confident | 86.4 | Confident | 18 Ų | 18 | 79.1 Ų | 79.1 | 15% | 0.149 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.8 | -46.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y263 Q326 I327 Y328 K333 R334 | Y263-A330 HydrophobicContact CD1-CB 3.82Å; Y263-A330 HydrophobicContact CE1-CB 4.31Å; Q326-A330 WeakPolarHBondContact O-CB 3.09Å; Q326-A330 PolarHBondContact O-N 3.41Å; I327-A330 WeakPolarHBondContact O-CB 3.15Å; I327-A330 PolarHBondContact O-N 2.98Å; Y328-A330 VanDerWaalsContact C-N 3.33Å; Y328-A330 PolarHBondContact O-N 2.83Å; A330-K333 PolarHBondContact O-N 3.2Å; A330-R334 WeakPolarHBondContact O-CB 3.47Å; A330-R334 PolarHBondContact O-N 3.21Å |
| 331 | D | 83.3 | Confident | 86.6 | Confident | 38 Ų | 38 | 83.1 Ų | 83.1 | 20% | 0.203 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 178.7 | -71.5 | -19 | 0 | 0 | 0 | 111.6 | I327 R334 A335 | I327-D331 WeakPolarHBondContact CG2-OD2 3.24Å; I327-D331 PolarHBondContact O-N 3.47Å; D331-R334 PolarHBondContact O-N 2.83Å; D331-A335 WeakPolarHBondContact O-CB 3.42Å; D331-A335 PolarHBondContact O-N 3.35Å |
| 332 | E | 85.8 | Confident | 86.9 | Confident | 124 Ų | 124 | 82.1 Ų | 82.1 | 58% | 0.579 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.8 | -49.4 | 174.3 | -179 | -177.9 | -168.8 | 0 | 0 | 110.9 | Y328 R334 A335 L336 | Y328-E332 WeakPolarHBondContact O-CB 3.43Å; Y328-E332 PolarHBondContact O-N 3.3Å; E332-R334 PolarHBondContact O-N 3.24Å; E332-A335 PolarHBondContact O-N 2.68Å; E332-L336 HydrophobicContact CG-CD1 4.09Å; E332-L336 HydrophobicContact CG-CG 4.44Å; E332-L336 WeakPolarHBondContact O-CB 3.4Å; E332-L336 VanDerWaalsContact O-CG 3.29Å; E332-L336 WeakPolarHBondContact O-CG 3.35Å; E332-L336 PolarHBondContact O-N 3.42Å |
| 333 | K | 86.7 | Confident | 87.1 | Confident | 129 Ų | 129 | 77.7 Ų | 77.7 | 56% | 0.561 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -56.3 | -42.4 | 176.9 | 179 | -179.2 | 172.2 | -170.2 | 0 | 110.9 | S329 A330 L336 E337 | S329-K333 WeakPolarHBondContact O-CB 3.25Å; S329-K333 PolarHBondContact O-N 3.49Å; A330-K333 PolarHBondContact O-N 3.2Å; K333-L336 PolarHBondContact O-N 2.91Å; K333-E337 WeakPolarHBondContact CE-OE1 3.29Å; K333-E337 IonicContact NZ-OE1 2.66Å; K333-E337 WeakPolarHBondContact O-CB 3.48Å; K333-E337 VanDerWaalsContact O-CG 3.31Å; K333-E337 WeakPolarHBondContact O-CG 3.3Å; K333-E337 PolarHBondContact O-N 3.2Å |
| 334 | R | 83.5 | Confident | 87.3 | Confident | 52 Ų | 52 | 82.2 Ų | 82.2 | 20% | 0.196 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70 | -39.5 | -180 | -175.3 | -109.1 | -177.9 | 106.6 | 28.8 | 112.4 | S256 L261 A330 D331 E332 L336 E337 H338 | S256-R334 VanDerWaalsContact C-NH1 3.25Å; S256-R334 PolarHBondContact O-NH1 3.31Å; S256-R334 PolarHBondContact O-NH2 2.92Å; S256-R334 PolarHBondContact OG-NH1 2.9Å; L261-R334 HydrophobicContact CD1-CG 4.46Å; L261-R334 HydrophobicContact CD2-CB 4.2Å; L261-R334 HydrophobicContact CD2-CG 4.11Å; A330-R334 WeakPolarHBondContact O-CB 3.47Å; A330-R334 PolarHBondContact O-N 3.21Å; D331-R334 PolarHBondContact O-N 2.83Å; E332-R334 PolarHBondContact O-N 3.24Å; R334-L336 VanDerWaalsContact C-N 3.34Å; R334-E337 PolarHBondContact O-N 3.3Å; R334-H338 WeakPolarHBondContact O-CB 3.38Å; R334-H338 PolarHBondContact O-N 3.15Å |
| 335 | A | 85.7 | Confident | 87.7 | Confident | 59 Ų | 59 | 83.2 Ų | 83.2 | 49% | 0.488 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D331 E332 H338 F339 | D331-A335 WeakPolarHBondContact O-CB 3.42Å; D331-A335 PolarHBondContact O-N 3.35Å; E332-A335 PolarHBondContact O-N 2.68Å; A335-H338 PolarHBondContact O-N 3.14Å; A335-F339 WeakPolarHBondContact O-CB 3.34Å; A335-F339 PolarHBondContact O-N 3.02Å |
| 336 | L | 86.7 | Confident | 88 | Confident | 91 Ų | 91 | 86.9 Ų | 86.9 | 48% | 0.476 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 175.4 | -71.5 | 173 | 0 | 0 | 0 | 112.3 | E332 K333 R334 F339 N340 | E332-L336 HydrophobicContact CG-CD1 4.09Å; E332-L336 HydrophobicContact CG-CG 4.44Å; E332-L336 WeakPolarHBondContact O-CB 3.4Å; E332-L336 VanDerWaalsContact O-CG 3.29Å; E332-L336 WeakPolarHBondContact O-CG 3.35Å; E332-L336 PolarHBondContact O-N 3.42Å; K333-L336 PolarHBondContact O-N 2.91Å; R334-L336 VanDerWaalsContact C-N 3.34Å; L336-F339 PolarHBondContact O-N 3.23Å; L336-N340 WeakPolarHBondContact O-CB 3.5Å; L336-N340 PolarHBondContact O-N 2.99Å; L336-N340 PolarHBondContact O-ND2 3.33Å |
| 337 | E | 87.6 | Confident | 88.4 | Confident | 108 Ų | 108 | 91.8 Ų | 91.8 | 51% | 0.505 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 175.5 | -77.4 | 174.3 | -176.2 | 0 | 0 | 111.5 | K333 R334 N340 H341 | K333-E337 WeakPolarHBondContact CE-OE1 3.29Å; K333-E337 IonicContact NZ-OE1 2.66Å; K333-E337 WeakPolarHBondContact O-CB 3.48Å; K333-E337 VanDerWaalsContact O-CG 3.31Å; K333-E337 WeakPolarHBondContact O-CG 3.3Å; K333-E337 PolarHBondContact O-N 3.2Å; R334-E337 PolarHBondContact O-N 3.3Å; E337-N340 PolarHBondContact O-N 3.12Å; E337-H341 VanDerWaalsContact O-CB 3.27Å; E337-H341 WeakPolarHBondContact O-CB 3.4Å; E337-H341 PolarHBondContact O-N 3.22Å |
| 338 | H | 85.9 | Confident | 88.8 | Confident | 134 Ų | 134 | 95.6 Ų | 95.6 | 62% | 0.62 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.4 | -44.1 | 174.8 | -179.5 | -98.8 | 0 | 0 | 0 | 111.8 | R334 A335 H341 A342 | R334-H338 WeakPolarHBondContact O-CB 3.38Å; R334-H338 PolarHBondContact O-N 3.15Å; A335-H338 PolarHBondContact O-N 3.14Å; H338-H341 PolarHBondContact O-N 3.27Å; H338-A342 VanDerWaalsContact O-CB 3.32Å; H338-A342 WeakPolarHBondContact O-CB 3.38Å; H338-A342 PolarHBondContact O-N 3.37Å |
| 339 | F | 87 | Confident | 89.4 | Confident | 126 Ų | 126 | 92.7 Ų | 92.7 | 55% | 0.553 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.3 | -48.8 | 176.3 | -178.7 | -94.6 | 0 | 0 | 0 | 111.9 | A335 L336 H341 A342 E343 | A335-F339 WeakPolarHBondContact O-CB 3.34Å; A335-F339 PolarHBondContact O-N 3.02Å; L336-F339 PolarHBondContact O-N 3.23Å; F339-H341 VanDerWaalsContact C-N 3.34Å; F339-H341 PolarHBondContact O-N 3.03Å; F339-A342 PolarHBondContact O-N 3.1Å; F339-E343 WeakPolarHBondContact O-CB 3.35Å; F339-E343 PolarHBondContact O-N 2.78Å |
| 340 | N | 92.4 | Very high | 89.8 | Confident | 92 Ų | 92 | 96 Ų | 96 | 49% | 0.492 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 178.6 | -72.2 | -28 | 0 | 0 | 0 | 111.9 | L336 E337 R344 | L336-N340 WeakPolarHBondContact O-CB 3.5Å; L336-N340 PolarHBondContact O-N 2.99Å; L336-N340 PolarHBondContact O-ND2 3.33Å; E337-N340 PolarHBondContact O-N 3.12Å; N340-R344 WeakPolarHBondContact O-CB 3.31Å; N340-R344 PolarHBondContact O-N 2.97Å |
| 341 | H | 91 | Very high | 90.2 | Very high | 135 Ų | 135 | 100.5 Ų | 100.5 | 63% | 0.625 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.6 | -47.1 | 176.5 | -176.2 | -95.7 | 0 | 0 | 0 | 111.2 | E337 H338 F339 E343 R344 A345 | E337-H341 VanDerWaalsContact O-CB 3.27Å; E337-H341 WeakPolarHBondContact O-CB 3.4Å; E337-H341 PolarHBondContact O-N 3.22Å; H338-H341 PolarHBondContact O-N 3.27Å; F339-H341 VanDerWaalsContact C-N 3.34Å; F339-H341 PolarHBondContact O-N 3.03Å; H341-E343 PolarHBondContact O-N 3.25Å; H341-R344 PolarHBondContact O-N 3.15Å; H341-A345 WeakPolarHBondContact O-CB 3.34Å; H341-A345 PolarHBondContact O-N 3.28Å |
| 342 | A | 91.2 | Very high | 90.7 | Very high | 47 Ų | 47 | 104 Ų | 104 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | H338 F339 A345 K346 | H338-A342 VanDerWaalsContact O-CB 3.32Å; H338-A342 WeakPolarHBondContact O-CB 3.38Å; H338-A342 PolarHBondContact O-N 3.37Å; F339-A342 PolarHBondContact O-N 3.1Å; A342-A345 PolarHBondContact O-N 2.86Å; A342-K346 WeakPolarHBondContact O-CB 3.31Å; A342-K346 PolarHBondContact O-N 2.98Å |
| 343 | E | 92 | Very high | 91.2 | Very high | 78 Ų | 78 | 101 Ų | 101 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 177.1 | -162.9 | -160.2 | 149.2 | 0 | 0 | 111.4 | F339 H341 K346 R347 | F339-E343 WeakPolarHBondContact O-CB 3.35Å; F339-E343 PolarHBondContact O-N 2.78Å; H341-E343 PolarHBondContact O-N 3.25Å; E343-K346 PolarHBondContact O-N 3.49Å; E343-R347 WeakPolarHBondContact O-CB 3.12Å; E343-R347 PolarHBondContact O-N 2.95Å; E343-R347 IonicContact OE1-CZ 3.62Å; E343-R347 IonicContact OE1-NH1 3.44Å; E343-R347 IonicContact OE1-NH2 3.3Å; E343-R347 PolarHBondContact OE1-NH2 3.36Å |
| 344 | R | 92.7 | Very high | 91.6 | Very high | 157 Ų | 157 | 100.1 Ų | 100.1 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.1 | -47.7 | 174.7 | -175.8 | 178.4 | -178.8 | 118.2 | 6.9 | 111.3 | N340 H341 K346 R347 E348 | N340-R344 WeakPolarHBondContact O-CB 3.31Å; N340-R344 PolarHBondContact O-N 2.97Å; H341-R344 PolarHBondContact O-N 3.15Å; R344-K346 VanDerWaalsContact C-N 3.32Å; R344-K346 PolarHBondContact O-N 3.45Å; R344-R347 WeakPolarHBondContact O-CB 3Å; R344-R347 PolarHBondContact O-N 3.42Å; R344-R347 VanDerWaalsContact O-N 3.15Å; R344-E348 HydrophobicContact CG-CG 4.32Å; R344-E348 WeakPolarHBondContact CG-OE1 3.17Å; R344-E348 IonicContact CZ-OE1 3.11Å; R344-E348 IonicContact NE-OE1 2.67Å; R344-E348 PolarHBondContact NE-OE1 2.88Å; R344-E348 IonicContact NH2-OE1 3.72Å; R344-E348 PolarHBondContact NH2-OE1 3.39Å; R344-E348 WeakPolarHBondContact O-CB 3.32Å; R344-E348 WeakPolarHBondContact O-CG 3.48Å; R344-E348 PolarHBondContact O-N 3.34Å |
| 345 | A | 93.7 | Very high | 92.2 | Very high | 46 Ų | 46 | 104 Ų | 104 | 38% | 0.38 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.3 | -42.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | H341 A342 E348 A349 | H341-A345 WeakPolarHBondContact O-CB 3.34Å; H341-A345 PolarHBondContact O-N 3.28Å; A342-A345 PolarHBondContact O-N 2.86Å; A345-E348 PolarHBondContact O-N 2.88Å; A345-A349 VanDerWaalsContact O-CB 3.27Å; A345-A349 WeakPolarHBondContact O-CB 3.44Å; A345-A349 PolarHBondContact O-N 3.48Å |
| 346 | K | 94.5 | Very high | 92.7 | Very high | 166 Ų | 166 | 108.1 Ų | 108.1 | 72% | 0.722 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 174.9 | -173.6 | 176.8 | -178.2 | 176.6 | 0 | 112.2 | A342 E343 R344 K350 | A342-K346 WeakPolarHBondContact O-CB 3.31Å; A342-K346 PolarHBondContact O-N 2.98Å; E343-K346 PolarHBondContact O-N 3.49Å; R344-K346 VanDerWaalsContact C-N 3.32Å; R344-K346 PolarHBondContact O-N 3.45Å; K346-K350 PolarHBondContact O-N 2.88Å |
| 347 | R | 94.8 | Very high | 93.1 | Very high | 143 Ų | 143 | 106.7 Ų | 106.7 | 54% | 0.54 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 176.7 | -173.4 | -173.5 | -71.8 | 102 | -2.4 | 111.3 | E343 R344 K350 L351 | E343-R347 WeakPolarHBondContact O-CB 3.12Å; E343-R347 PolarHBondContact O-N 2.95Å; E343-R347 IonicContact OE1-CZ 3.62Å; E343-R347 IonicContact OE1-NH1 3.44Å; E343-R347 IonicContact OE1-NH2 3.3Å; E343-R347 PolarHBondContact OE1-NH2 3.36Å; R344-R347 WeakPolarHBondContact O-CB 3Å; R344-R347 PolarHBondContact O-N 3.42Å; R344-R347 VanDerWaalsContact O-N 3.15Å; R347-K350 PolarHBondContact O-N 2.87Å; R347-L351 PolarHBondContact O-N 3.43Å |
| 348 | E | 94.7 | Very high | 93.4 | Very high | 80 Ų | 80 | 106.5 Ų | 106.5 | 37% | 0.374 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 177.3 | -72.6 | 179.1 | -174.3 | 0 | 0 | 111.5 | R344 A345 K350 L351 Q352 | R344-E348 HydrophobicContact CG-CG 4.32Å; R344-E348 WeakPolarHBondContact CG-OE1 3.17Å; R344-E348 IonicContact CZ-OE1 3.11Å; R344-E348 IonicContact NE-OE1 2.67Å; R344-E348 PolarHBondContact NE-OE1 2.88Å; R344-E348 IonicContact NH2-OE1 3.72Å; R344-E348 PolarHBondContact NH2-OE1 3.39Å; R344-E348 WeakPolarHBondContact O-CB 3.32Å; R344-E348 WeakPolarHBondContact O-CG 3.48Å; R344-E348 PolarHBondContact O-N 3.34Å; A345-E348 PolarHBondContact O-N 2.88Å; E348-K350 VanDerWaalsContact C-N 3.33Å; E348-K350 PolarHBondContact O-N 3.4Å; E348-L351 PolarHBondContact O-N 3.49Å; E348-Q352 WeakPolarHBondContact O-CB 3.43Å; E348-Q352 VanDerWaalsContact O-CG 3.29Å; E348-Q352 WeakPolarHBondContact O-CG 3.5Å; E348-Q352 PolarHBondContact O-N 3.21Å |
| 349 | A | 94.5 | Very high | 93.8 | Very high | 54 Ų | 54 | 104.1 Ų | 104.1 | 45% | 0.446 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A345 Q352 A353 | A345-A349 VanDerWaalsContact O-CB 3.27Å; A345-A349 WeakPolarHBondContact O-CB 3.44Å; A345-A349 PolarHBondContact O-N 3.48Å; A349-Q352 PolarHBondContact O-N 3.04Å; A349-A353 WeakPolarHBondContact O-CB 3.22Å; A349-A353 PolarHBondContact O-N 3.19Å |
| 350 | K | 95.8 | Very high | 94.1 | Very high | 139 Ų | 139 | 104.4 Ų | 104.4 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.6 | -44.8 | 174 | -174.6 | 178.6 | 179.5 | 179.9 | 0 | 111.7 | K346 R347 E348 A353 Q354 | K346-K350 PolarHBondContact O-N 2.88Å; R347-K350 PolarHBondContact O-N 2.87Å; E348-K350 VanDerWaalsContact C-N 3.33Å; E348-K350 PolarHBondContact O-N 3.4Å; K350-A353 PolarHBondContact O-N 3.14Å; K350-Q354 WeakPolarHBondContact O-CG 3.4Å; K350-Q354 PolarHBondContact O-N 3.35Å |
| 351 | L | 94.5 | Very high | 94.1 | Very high | 113 Ų | 113 | 108 Ų | 108 | 59% | 0.592 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.9 | -41 | 178.2 | -173.6 | 65 | 0 | 0 | 0 | 111.6 | R347 E348 Q354 F355 | R347-L351 PolarHBondContact O-N 3.43Å; E348-L351 PolarHBondContact O-N 3.49Å; L351-Q354 PolarHBondContact O-N 2.82Å; L351-F355 WeakPolarHBondContact O-CB 3.43Å; L351-F355 PolarHBondContact O-N 3.44Å |
| 352 | Q | 95.1 | Very high | 94.1 | Very high | 111 Ų | 111 | 107.5 Ų | 107.5 | 52% | 0.519 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 174.5 | -73.8 | 179.6 | 9.3 | 0 | 0 | 111.7 | E348 A349 F355 K356 | E348-Q352 WeakPolarHBondContact O-CB 3.43Å; E348-Q352 VanDerWaalsContact O-CG 3.29Å; E348-Q352 WeakPolarHBondContact O-CG 3.5Å; E348-Q352 PolarHBondContact O-N 3.21Å; A349-Q352 PolarHBondContact O-N 3.04Å; Q352-F355 PolarHBondContact O-N 2.92Å; Q352-K356 WeakPolarHBondContact O-CB 3.45Å; Q352-K356 VanDerWaalsContact O-CG 3.26Å; Q352-K356 WeakPolarHBondContact O-CG 3.27Å; Q352-K356 PolarHBondContact O-N 2.88Å |
| 353 | A | 95.5 | Very high | 94 | Very high | 60 Ų | 60 | 110 Ų | 110 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A349 K350 K356 A357 | A349-A353 WeakPolarHBondContact O-CB 3.22Å; A349-A353 PolarHBondContact O-N 3.19Å; K350-A353 PolarHBondContact O-N 3.14Å; A353-K356 PolarHBondContact O-N 3.41Å; A353-A357 WeakPolarHBondContact O-CB 3.27Å; A353-A357 PolarHBondContact O-N 2.93Å |
| 354 | Q | 95.3 | Very high | 93.9 | Very high | 111 Ų | 111 | 110.7 Ų | 110.7 | 52% | 0.519 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 175.3 | -72.3 | 177.1 | -27.8 | 0 | 0 | 112.2 | K350 L351 A357 L358 | K350-Q354 WeakPolarHBondContact O-CG 3.4Å; K350-Q354 PolarHBondContact O-N 3.35Å; L351-Q354 PolarHBondContact O-N 2.82Å; Q354-A357 PolarHBondContact O-N 2.94Å; Q354-L358 WeakPolarHBondContact O-CB 3.49Å; Q354-L358 PolarHBondContact O-N 3.5Å |
| 355 | F | 96.5 | Very high | 93.7 | Very high | 135 Ų | 135 | 106.9 Ų | 106.9 | 59% | 0.592 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.7 | -44.1 | 177.5 | -175.5 | -109.5 | 0 | 0 | 0 | 112 | L351 Q352 A357 L358 I359 | L351-F355 WeakPolarHBondContact O-CB 3.43Å; L351-F355 PolarHBondContact O-N 3.44Å; Q352-F355 PolarHBondContact O-N 2.92Å; F355-A357 VanDerWaalsContact C-N 3.33Å; F355-A357 PolarHBondContact O-N 3.39Å; F355-L358 PolarHBondContact O-N 2.89Å; F355-I359 HydrophobicContact CD1-CD1 3.65Å; F355-I359 HydrophobicContact CD1-CG1 4.49Å; F355-I359 HydrophobicContact CE1-CD1 3.19Å; F355-I359 HydrophobicContact CE1-CG1 4.22Å; F355-I359 HydrophobicContact CE2-CD1 4.23Å; F355-I359 HydrophobicContact CG-CD1 4.36Å; F355-I359 HydrophobicContact CZ-CD1 3.52Å; F355-I359 HydrophobicContact CZ-CG1 4.22Å; F355-I359 WeakPolarHBondContact O-CG1 3.36Å; F355-I359 PolarHBondContact O-N 2.82Å |
| 356 | K | 95.7 | Very high | 93.2 | Very high | 145 Ų | 145 | 112.6 Ų | 112.6 | 63% | 0.63 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.5 | -43.9 | 173.5 | -75.7 | 175.8 | -179.9 | 179.7 | 0 | 111.5 | Q352 A353 I359 K360 | Q352-K356 WeakPolarHBondContact O-CB 3.45Å; Q352-K356 VanDerWaalsContact O-CG 3.26Å; Q352-K356 WeakPolarHBondContact O-CG 3.27Å; Q352-K356 PolarHBondContact O-N 2.88Å; A353-K356 PolarHBondContact O-N 3.41Å; K356-I359 PolarHBondContact O-N 3.08Å; K356-K360 WeakPolarHBondContact O-CB 3.47Å; K356-K360 PolarHBondContact O-N 3.42Å |
| 357 | A | 93.9 | Very high | 92.5 | Very high | 60 Ų | 60 | 111.9 Ų | 111.9 | 50% | 0.496 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A353 Q354 F355 K360 R361 | A353-A357 WeakPolarHBondContact O-CB 3.27Å; A353-A357 PolarHBondContact O-N 2.93Å; Q354-A357 PolarHBondContact O-N 2.94Å; F355-A357 VanDerWaalsContact C-N 3.33Å; F355-A357 PolarHBondContact O-N 3.39Å; A357-K360 PolarHBondContact O-N 2.9Å; A357-R361 WeakPolarHBondContact O-CB 3.46Å; A357-R361 PolarHBondContact O-N 3.28Å |
| 358 | L | 94.3 | Very high | 91.6 | Very high | 105 Ų | 105 | 109 Ų | 109 | 55% | 0.55 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.3 | -41.4 | 178.7 | -161.5 | 154.1 | 0 | 0 | 0 | 112 | Q354 F355 R361 K362 | Q354-L358 WeakPolarHBondContact O-CB 3.49Å; Q354-L358 PolarHBondContact O-N 3.5Å; F355-L358 PolarHBondContact O-N 2.89Å; L358-R361 PolarHBondContact O-N 3.47Å; L358-K362 HydrophobicContact CD2-CG 4.05Å; L358-K362 WeakPolarHBondContact O-CG 3.39Å; L358-K362 PolarHBondContact O-N 2.79Å |
| 359 | I | 94.1 | Very high | 90.4 | Very high | 84 Ų | 84 | 108 Ų | 108 | 43% | 0.431 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.3 | -47.1 | 172.9 | -71 | 173.5 | 0 | 0 | 0 | 110.6 | F355 K356 R361 K362 L363 | F355-I359 HydrophobicContact CD1-CD1 3.65Å; F355-I359 HydrophobicContact CD1-CG1 4.49Å; F355-I359 HydrophobicContact CE1-CD1 3.19Å; F355-I359 HydrophobicContact CE1-CG1 4.22Å; F355-I359 HydrophobicContact CE2-CD1 4.23Å; F355-I359 HydrophobicContact CG-CD1 4.36Å; F355-I359 HydrophobicContact CZ-CD1 3.52Å; F355-I359 HydrophobicContact CZ-CG1 4.22Å; F355-I359 WeakPolarHBondContact O-CG1 3.36Å; F355-I359 PolarHBondContact O-N 2.82Å; K356-I359 PolarHBondContact O-N 3.08Å; I359-R361 VanDerWaalsContact C-N 3.33Å; I359-R361 PolarHBondContact O-N 3.22Å; I359-K362 PolarHBondContact O-N 3.17Å; I359-K362 VanDerWaalsContact O-N 3.16Å; I359-L363 WeakPolarHBondContact O-CB 3.33Å; I359-L363 PolarHBondContact O-N 2.95Å |
| 360 | K | 94.2 | Very high | 89.3 | Confident | 131 Ų | 131 | 110.8 Ų | 110.8 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -57.6 | -48.2 | 179.7 | -165 | -168 | -178.3 | -148.4 | 0 | 110.7 | K356 A357 K362 L363 E364 | K356-K360 WeakPolarHBondContact O-CB 3.47Å; K356-K360 PolarHBondContact O-N 3.42Å; A357-K360 PolarHBondContact O-N 2.9Å; K360-K362 PolarHBondContact O-N 2.95Å; K360-L363 PolarHBondContact O-N 3.48Å; K360-E364 WeakPolarHBondContact CE-OE1 3.24Å; K360-E364 WeakPolarHBondContact CG-OE1 3.33Å; K360-E364 IonicContact NZ-OE1 3.79Å; K360-E364 PolarHBondContact NZ-OE1 2.95Å; K360-E364 VanDerWaalsContact O-CG 3.31Å; K360-E364 WeakPolarHBondContact O-CG 3.4Å; K360-E364 PolarHBondContact O-N 3.11Å |
| 361 | R | 92.2 | Very high | 88.3 | Confident | 168 Ų | 168 | 109.4 Ų | 109.4 | 63% | 0.634 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.5 | -44.4 | 174.9 | -177.5 | 179.4 | 170.8 | 170.9 | 1.2 | 112.4 | A357 L358 I359 L363 E364 D365 | A357-R361 WeakPolarHBondContact O-CB 3.46Å; A357-R361 PolarHBondContact O-N 3.28Å; L358-R361 PolarHBondContact O-N 3.47Å; I359-R361 VanDerWaalsContact C-N 3.33Å; I359-R361 PolarHBondContact O-N 3.22Å; R361-L363 VanDerWaalsContact C-N 3.31Å; R361-L363 PolarHBondContact O-N 3.28Å; R361-E364 PolarHBondContact O-N 3.49Å; R361-D365 WeakPolarHBondContact O-CB 3.36Å; R361-D365 PolarHBondContact O-N 3.2Å |
| 362 | K | 91.2 | Very high | 87.3 | Confident | 125 Ų | 125 | 110.1 Ų | 110.1 | 54% | 0.543 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.1 | -30.1 | 178.1 | -75.1 | -66.6 | -174.6 | -173.4 | 0 | 113.5 | L358 I359 K360 K366 | L358-K362 HydrophobicContact CD2-CG 4.05Å; L358-K362 WeakPolarHBondContact O-CG 3.39Å; L358-K362 PolarHBondContact O-N 2.79Å; I359-K362 PolarHBondContact O-N 3.17Å; I359-K362 VanDerWaalsContact O-N 3.16Å; K360-K362 PolarHBondContact O-N 2.95Å; K362-K366 WeakPolarHBondContact O-CG 3.49Å; K362-K366 PolarHBondContact O-N 2.91Å |
| 363 | L | 89.8 | Confident | 85.6 | Confident | 98 Ų | 98 | 114.1 Ų | 114.1 | 51% | 0.513 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -73.3 | -42.8 | 174.3 | -173.6 | 65.4 | 0 | 0 | 0 | 110.6 | I359 K360 R361 K366 Q367 | I359-L363 WeakPolarHBondContact O-CB 3.33Å; I359-L363 PolarHBondContact O-N 2.95Å; K360-L363 PolarHBondContact O-N 3.48Å; R361-L363 VanDerWaalsContact C-N 3.31Å; R361-L363 PolarHBondContact O-N 3.28Å; L363-K366 PolarHBondContact O-N 3.05Å; L363-Q367 WeakPolarHBondContact O-CG 3.49Å; L363-Q367 PolarHBondContact O-N 3.1Å |
| 364 | E | 89.8 | Confident | 85.1 | Confident | 93 Ų | 93 | 116.9 Ų | 116.9 | 44% | 0.435 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -60.5 | -46.9 | 173.3 | -69.9 | 166 | 178.5 | 0 | 0 | 111 | K360 R361 K366 Q367 A368 | K360-E364 WeakPolarHBondContact CE-OE1 3.24Å; K360-E364 WeakPolarHBondContact CG-OE1 3.33Å; K360-E364 IonicContact NZ-OE1 3.79Å; K360-E364 PolarHBondContact NZ-OE1 2.95Å; K360-E364 VanDerWaalsContact O-CG 3.31Å; K360-E364 WeakPolarHBondContact O-CG 3.4Å; K360-E364 PolarHBondContact O-N 3.11Å; R361-E364 PolarHBondContact O-N 3.49Å; E364-K366 VanDerWaalsContact C-N 3.29Å; E364-K366 PolarHBondContact O-N 3.17Å; E364-Q367 PolarHBondContact O-N 3.48Å; E364-A368 WeakPolarHBondContact O-CB 3.19Å; E364-A368 PolarHBondContact O-N 3.32Å |
| 365 | D | 87.2 | Confident | 84.6 | Confident | 77 Ų | 77 | 117.2 Ų | 117.2 | 41% | 0.412 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -59.3 | -36.9 | 176.6 | -69 | -20.4 | 0 | 0 | 0 | 112.2 | R361 A369 | R361-D365 WeakPolarHBondContact O-CB 3.36Å; R361-D365 PolarHBondContact O-N 3.2Å; D365-A369 PolarHBondContact O-N 3.03Å |
| 366 | K | 83.6 | Confident | 83.9 | Confident | 166 Ų | 166 | 116.2 Ų | 116.2 | 72% | 0.722 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -75.1 | -32.3 | 177.7 | -78.4 | -177.9 | 178.4 | -170.7 | 0 | 113.2 | K362 L363 E364 | K362-K366 WeakPolarHBondContact O-CG 3.49Å; K362-K366 PolarHBondContact O-N 2.91Å; L363-K366 PolarHBondContact O-N 3.05Å; E364-K366 VanDerWaalsContact C-N 3.29Å; E364-K366 PolarHBondContact O-N 3.17Å |
| 367 | Q | 79.4 | Confident | 83.2 | Confident | 151 Ų | 151 | 114.5 Ų | 114.5 | 71% | 0.706 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77.7 | -29.1 | 176.1 | -70.8 | -179.1 | 14.5 | 0 | 0 | 112 | L363 E364 | L363-Q367 WeakPolarHBondContact O-CG 3.49Å; L363-Q367 PolarHBondContact O-N 3.1Å; E364-Q367 PolarHBondContact O-N 3.48Å |
| 368 | A | 77.2 | Confident | 82.5 | Confident | 84 Ų | 84 | 117.9 Ų | 117.9 | 69% | 0.694 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -81 | -14.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E364 | E364-A368 WeakPolarHBondContact O-CB 3.19Å; E364-A368 PolarHBondContact O-N 3.32Å |
| 369 | A | 69.5 | Low | 81.8 | Confident | 58 Ų | 58 | 118.7 Ų | 118.7 | 48% | 0.479 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -73.3 | 121.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | D365 | D365-A369 PolarHBondContact O-N 3.03Š|
| 370 | P | 71.2 | Confident | 80.9 | Confident | 113 Ų | 113 | 121.2 Ų | 121.2 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 146.9 | 175.3 | 26.5 | -33.1 | 0 | 0 | 0 | 110 | ||
| 371 | P | 73.3 | Confident | 79.8 | Confident | 109 Ų | 109 | 120.5 Ų | 120.5 | 71% | 0.708 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 145.9 | 177.9 | 26.1 | -33.9 | 0 | 0 | 0 | 110 | S373 | P371-S373 PolarHBondContact O-N 3.41Š|
| 372 | P | 73.8 | Confident | 78.8 | Confident | 129 Ų | 129 | 116.5 Ų | 116.5 | 84% | 0.838 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 130.4 | 174.7 | 26.6 | -33.2 | 0 | 0 | 0 | 109 | ||
| 373 | S | 59.7 | Low | 77.7 | Confident | 195 Ų | 195 | 115.7 Ų | 115.7 | 100% | 1.364 | 69% | 0.691 | S | S | * | * | trans | -65.7 | 0 | -178.8 | -52.5 | 0 | 0 | 0 | 0 | 113.1 | P371 | P371-S373 PolarHBondContact O-N 3.41Š|
Retrieved 373 of 373 residues in 193.6 ms
(Link to these results)