| 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 | 32 | Very low | 32.7 | Very low | 232 Ų | 232 | 149.5 Ų | 149.5 | 100% | 1.143 | 85% | 0.848 | S | S | * | * | 0 | 157.4 | 0 | -89.7 | -162.4 | 174.4 | 0 | 0 | 108.7 | |||||
| 2 | P | 49.2 | Very low | 32.5 | Very low | 99 Ų | 99 | 154.2 Ų | 154.2 | 64% | 0.643 | 86% | 0.858 | S | S | * | * | cis | -145.6 | 171.6 | -23.3 | 38.4 | -19.1 | 0 | 0 | 0 | 115 | ||||
| 3 | K | 35.8 | Very low | 32.5 | Very low | 188 Ų | 188 | 158.4 Ų | 158.4 | 82% | 0.817 | 86% | 0.861 | S | S | * | * | 50.6 | 149.6 | 129.7 | -67.2 | 179.3 | -179.5 | 179.2 | 0 | 120.8 | |||||
| 4 | V | 34.7 | Very low | 32.4 | Very low | 123 Ų | 123 | 156.1 Ų | 156.1 | 75% | 0.745 | 86% | 0.863 | S | S | * | * | cis | -175.8 | 157.6 | 9.8 | 134.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 5 | K | 32.6 | Very low | 32 | Very low | 210 Ų | 210 | 151.2 Ų | 151.2 | 91% | 0.913 | 86% | 0.862 | S | S | * | * | trans | -153.3 | 141.9 | 149.4 | -123.7 | 176.2 | -177.8 | 178.5 | 0 | 113 | ||||
| 6 | R | 31.2 | Very low | 31.7 | Very low | 240 Ų | 240 | 147.3 Ų | 147.3 | 91% | 0.906 | 87% | 0.865 | S | S | * | * | trans | -93.7 | 167.2 | 171 | -105 | 176.8 | 159.7 | -176.9 | -5.1 | 109.2 | ||||
| 7 | S | 33.4 | Very low | 31.6 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 71% | 0.713 | 86% | 0.859 | S | S | * | * | cis | -162.8 | 166.3 | -1.7 | 54.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 8 | K | 31.1 | Very low | 31.6 | Very low | 200 Ų | 200 | 140.8 Ų | 140.8 | 87% | 0.87 | 86% | 0.859 | S | S | * | * | 172.5 | 123.4 | 81.2 | -157.9 | 177.3 | -173.2 | -179 | 0 | 108.7 | |||||
| 9 | G | 27.8 | Very low | 32.1 | Very low | 87 Ų | 87 | 141.1 Ų | 141.1 | 90% | 0.897 | 86% | 0.861 | S | S | * | * | 71.1 | 132 | 123.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 10 | G | 25.7 | Very low | 32.5 | Very low | 84 Ų | 84 | 143.1 Ų | 143.1 | 87% | 0.866 | 86% | 0.86 | S | S | * | * | cis | -168 | 173.7 | 0 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 11 | G | 26.9 | Very low | 32.9 | Very low | 79 Ų | 79 | 141.3 Ų | 141.3 | 81% | 0.814 | 86% | 0.861 | S | S | * | * | trans | 137.9 | 117.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 12 | E | 29.5 | Very low | 34 | Very low | 206 Ų | 206 | 135.1 Ų | 135.1 | 96% | 0.963 | 84% | 0.836 | S | S | * | * | trans | -69.1 | 147.7 | -177.3 | -75.8 | 160.8 | 111.2 | 0 | 0 | 114.3 | ||||
| 13 | K | 33.1 | Very low | 34.1 | Very low | 209 Ų | 209 | 133.6 Ų | 133.6 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | trans | -108.3 | 143.6 | 179.1 | -78.6 | 179.9 | 171.8 | -178 | 0 | 110.6 | ||||
| 14 | S | 30.2 | Very low | 34.7 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | trans | -155.3 | 125.6 | 133.4 | 84.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 15 | G | 26.7 | Very low | 35.8 | Very low | 82 Ų | 82 | 128 Ų | 128 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | 169.9 | 119.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 16 | G | 27.8 | Very low | 37.1 | Very low | 88 Ų | 88 | 122.5 Ų | 122.5 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | 96.1 | 116.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 17 | G | 29 | Very low | 38.4 | Very low | 74 Ų | 74 | 116.9 Ų | 116.9 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | trans | -151.8 | 102 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 18 | A | 32 | Very low | 39.7 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | trans | -70.2 | 144.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 19 | V | 42.3 | Very low | 40.9 | Very low | 146 Ų | 146 | 115.5 Ų | 115.5 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | trans | -104.5 | 116.2 | 177 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 20 | E | 39.8 | Very low | 42.1 | Very low | 181 Ų | 181 | 118.9 Ų | 118.9 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 143.7 | 172.4 | -73.9 | 175.3 | 144.9 | 0 | 0 | 111.4 | ||
| 21 | A | 40.1 | Very low | 43.1 | Very low | 106 Ų | 106 | 119.4 Ų | 119.4 | 88% | 0.876 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -77 | 123.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 22 | V | 55.2 | Low | 43.9 | Very low | 101 Ų | 101 | 123 Ų | 123 | 61% | 0.612 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 140.5 | 172.7 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | D26 | V22-D26 HydrophobicContact CG1-CB 4.45Š|
| 23 | A | 51.1 | Low | 44.5 | Very low | 68 Ų | 68 | 118.8 Ų | 118.8 | 56% | 0.562 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 143.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A25 D26 | A23-A25 PolarHBondContact O-N 3.05Å; A23-D26 PolarHBondContact O-N 3.45Å; A23-D26 VanDerWaalsContact O-N 3.13Å |
| 24 | L | 48.7 | Very low | 44.9 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -57.9 | -23.7 | -171.5 | -163.2 | 73.2 | 0 | 0 | 0 | 114.6 | Q27 I28 | L24-Q27 PolarHBondContact O-N 3.13Å; L24-I28 HydrophobicContact CG-CD1 4.45Å; L24-I28 WeakPolarHBondContact O-CG1 3.46Å |
| 25 | A | 58.3 | Low | 45.5 | Very low | 70 Ų | 70 | 121.9 Ų | 121.9 | 58% | 0.579 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -68.5 | -32.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A23 | A23-A25 PolarHBondContact O-N 3.05Å |
| 26 | D | 58.8 | Low | 46.3 | Very low | 94 Ų | 94 | 122.6 Ų | 122.6 | 50% | 0.503 | 75% | 0.745 | S | S | . | * | H | α-helix | trans | -81.3 | -19.7 | 179.5 | -74.5 | -27.1 | 0 | 0 | 0 | 112.8 | V22 A23 | V22-D26 HydrophobicContact CG1-CB 4.45Å; A23-D26 PolarHBondContact O-N 3.45Å; A23-D26 VanDerWaalsContact O-N 3.13Å |
| 27 | Q | 58.5 | Low | 46.9 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 57% | 0.565 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -78.1 | -22.3 | 173.9 | -74.7 | 179.2 | -8.3 | 0 | 0 | 113 | L24 | L24-Q27 PolarHBondContact O-N 3.13Å |
| 28 | I | 60.7 | Low | 47.2 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 66% | 0.662 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -86.4 | -25.4 | -178.9 | -65.6 | 169.5 | 0 | 0 | 0 | 111.8 | L24 | L24-I28 HydrophobicContact CG-CD1 4.45Å; L24-I28 WeakPolarHBondContact O-CG1 3.46Å |
| 29 | L | 57.1 | Low | 47.6 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -79.7 | -18.4 | 177 | -72.8 | 168.5 | 0 | 0 | 0 | 113.5 | A31 | L29-A31 VanDerWaalsContact C-N 3.27Å; L29-A31 PolarHBondContact O-N 2.84Å; L29-A31 VanDerWaalsContact O-N 3.09Å |
| 30 | Q | 51.8 | Low | 47.7 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | -85.7 | 73.8 | 172 | -66.4 | -179.6 | 9.7 | 0 | 0 | 109.3 | D32 | Q30-D32 PolarHBondContact O-N 3.09Š| ||
| 31 | A | 47.2 | Very low | 47.5 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | trans | -67 | 81.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L29 | L29-A31 VanDerWaalsContact C-N 3.27Å; L29-A31 PolarHBondContact O-N 2.84Å; L29-A31 VanDerWaalsContact O-N 3.09Å | ||
| 32 | D | 43.4 | Very low | 47.4 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -122.5 | 112.7 | 170.5 | -128.1 | -11.7 | 0 | 0 | 0 | 110.7 | Q30 | Q30-D32 PolarHBondContact O-N 3.09Š| ||
| 33 | T | 43.3 | Very low | 46.5 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | trans | -53 | 140.8 | -168.2 | 49.1 | 0 | 0 | 0 | 0 | 116 | R35 | T33-R35 PolarHBondContact O-N 3.4Š| ||
| 34 | I | 40.8 | Very low | 46.1 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | -61 | 109.7 | 176.4 | -59.4 | 167.3 | 0 | 0 | 0 | 110.3 | A36 | I34-A36 PolarHBondContact O-N 3.17Š| ||
| 35 | R | 43.9 | Very low | 45.8 | Very low | 232 Ų | 232 | 146 Ų | 146 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | trans | -82.8 | 103.6 | 166.8 | -80 | -176.8 | 178.9 | 173.9 | 0.9 | 110.3 | T33 R37 | T33-R35 PolarHBondContact O-N 3.4Å; R35-R37 PolarHBondContact O-N 3.19Å | ||
| 36 | A | 42 | Very low | 45.3 | Very low | 96 Ų | 96 | 152.9 Ų | 152.9 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | trans | -65 | 109.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I34 G38 | I34-A36 PolarHBondContact O-N 3.17Å; A36-G38 PolarHBondContact O-N 3.47Å | ||
| 37 | R | 41 | Very low | 44.4 | Very low | 246 Ų | 246 | 152.3 Ų | 152.3 | 93% | 0.928 | 79% | 0.785 | S | S | * | * | trans | -87.1 | 102 | 168.2 | -79.8 | -172.5 | 172.9 | -174.8 | -0.7 | 109.5 | R35 R39 | R35-R37 PolarHBondContact O-N 3.19Å; R37-R39 PolarHBondContact O-N 3.39Å | ||
| 38 | G | 36.1 | Very low | 43.7 | Very low | 74 Ų | 74 | 155.1 Ų | 155.1 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | -65.2 | 119.8 | 168 | 0 | 0 | 0 | 0 | 0 | 110.9 | A36 | A36-G38 PolarHBondContact O-N 3.47Š| ||
| 39 | R | 39.4 | Very low | 42.9 | Very low | 246 Ų | 246 | 155 Ų | 155 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | trans | -86.3 | 110.3 | 170.7 | -173.7 | 175 | -177.5 | 163.3 | 0.1 | 108.6 | R37 K41 | R37-R39 PolarHBondContact O-N 3.39Å; R39-K41 PolarHBondContact O-N 3.38Å | ||
| 40 | V | 43.4 | Very low | 42.4 | Very low | 139 Ų | 139 | 154.5 Ų | 154.5 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | -68.4 | 119 | 169.9 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | G42 | V40-G42 PolarHBondContact O-N 3.04Š| ||
| 41 | K | 37.4 | Very low | 42.4 | Very low | 196 Ų | 196 | 154 Ų | 154 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | trans | -80.9 | 105.3 | 175.4 | -170 | 175.1 | -178.7 | 178.6 | 0 | 108.2 | R39 R43 | R39-K41 PolarHBondContact O-N 3.38Å; K41-R43 PolarHBondContact O-N 2.76Å | ||
| 42 | G | 37.6 | Very low | 42.8 | Very low | 68 Ų | 68 | 157 Ų | 157 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -61.1 | 121.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | V40 D44 | V40-G42 PolarHBondContact O-N 3.04Å; G42-D44 PolarHBondContact O-N 3.45Å | ||
| 43 | R | 35.8 | Very low | 43.8 | Very low | 238 Ų | 238 | 159.4 Ų | 159.4 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | -79.4 | 99.8 | 176.6 | -166.5 | 176.6 | -174.8 | 170.8 | -0.3 | 106.9 | K41 V45 | K41-R43 PolarHBondContact O-N 2.76Å; R43-V45 PolarHBondContact O-N 3.08Å | ||
| 44 | D | 42.3 | Very low | 45.2 | Very low | 147 Ų | 147 | 157.9 Ų | 157.9 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -69.3 | 113.8 | 173.1 | -143.1 | -5.7 | 0 | 0 | 0 | 107.7 | G42 R46 | G42-D44 PolarHBondContact O-N 3.45Å; D44-R46 PolarHBondContact O-N 2.8Å; D44-R46 VanDerWaalsContact O-N 3.13Å | ||
| 45 | V | 43.8 | Very low | 46.9 | Very low | 131 Ų | 131 | 155.1 Ų | 155.1 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -77.5 | 95.3 | 174.9 | 176.5 | 0 | 0 | 0 | 0 | 106 | R43 S47 | R43-V45 PolarHBondContact O-N 3.08Å; V45-S47 PolarHBondContact O-N 3.36Å | ||
| 46 | R | 46.2 | Very low | 48.4 | Very low | 214 Ų | 214 | 148.3 Ų | 148.3 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -65.8 | 121.9 | 169.1 | -74.7 | -177.6 | 176 | -175.6 | -4.3 | 108.4 | D44 | D44-R46 PolarHBondContact O-N 2.8Å; D44-R46 VanDerWaalsContact O-N 3.13Å | ||
| 47 | S | 40.8 | Very low | 49.9 | Very low | 83 Ų | 83 | 153.7 Ų | 153.7 | 58% | 0.58 | 75% | 0.754 | S | S | * | * | trans | -68.8 | 132.2 | 168 | -169.3 | 0 | 0 | 0 | 0 | 108.5 | V45 N49 D50 | V45-S47 PolarHBondContact O-N 3.36Å; S47-N49 PolarHBondContact O-N 3.39Å; S47-D50 PolarHBondContact O-N 2.91Å | ||
| 48 | E | 44 | Very low | 51.6 | Low | 179 Ų | 179 | 146.5 Ų | 146.5 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -4.6 | -177 | -68.5 | 177.7 | 152.8 | 0 | 0 | 114.3 | ||
| 49 | N | 43.1 | Very low | 53.7 | Low | 127 Ų | 127 | 145 Ų | 145 | 68% | 0.679 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -10.6 | 179 | -77.9 | -9.4 | 0 | 0 | 0 | 115.1 | S47 | S47-N49 PolarHBondContact O-N 3.39Š|
| 50 | D | 46.5 | Very low | 55.8 | Low | 135 Ų | 135 | 141 Ų | 141 | 72% | 0.722 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -89 | -8.7 | -178.8 | -103.3 | 1.3 | 0 | 0 | 0 | 114 | S47 Q52 | S47-D50 PolarHBondContact O-N 2.91Å; D50-Q52 PolarHBondContact O-N 3.08Å |
| 51 | D | 51.5 | Low | 57.7 | Low | 145 Ų | 145 | 141 Ų | 141 | 78% | 0.775 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -78.8 | -3 | 175.6 | -74.1 | -28.6 | 0 | 0 | 0 | 112.8 | ||
| 52 | Q | 55.9 | Low | 59.9 | Low | 161 Ų | 161 | 135.9 Ų | 135.9 | 75% | 0.752 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -91.5 | -13.4 | -178.7 | -152 | 133.2 | 43.1 | 0 | 0 | 113.7 | D50 | D50-Q52 PolarHBondContact O-N 3.08Š|
| 53 | Y | 64.6 | Low | 62.1 | Low | 202 Ų | 202 | 138.1 Ų | 138.1 | 79% | 0.792 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -125.2 | 123.4 | 179.9 | -85.3 | -91.3 | 0 | 0 | 0 | 111.9 | ||
| 54 | V | 71.9 | Confident | 64.6 | Low | 87 Ų | 87 | 133 Ų | 133 | 53% | 0.527 | 65% | 0.647 | S | S | . | * | trans | -77.1 | 123.6 | 174.7 | -178.3 | 0 | 0 | 0 | 0 | 109 | L58 I62 | V54-L58 HydrophobicContact CG1-CB 3.86Å; V54-L58 HydrophobicContact CG1-CD2 3.89Å; V54-L58 HydrophobicContact CG1-CG 3.85Å; V54-I62 HydrophobicContact CG1-CD1 3.93Å | ||
| 55 | D | 78.5 | Confident | 66.5 | Low | 111 Ų | 111 | 130.6 Ų | 130.6 | 59% | 0.594 | 63% | 0.631 | S | S | * | * | trans | -52.4 | 141.7 | 176.6 | 179.4 | 29.6 | 0 | 0 | 0 | 112.1 | R57 L58 S59 | D55-R57 PolarHBondContact O-N 3.5Å; D55-R57 VanDerWaalsContact O-N 3.1Å; D55-L58 HydrophobicContact CB-CB 4.45Å; D55-L58 CarbonylContact O-C 3.59Å; D55-L58 WeakPolarHBondContact O-CA 3.47Å; D55-L58 WeakPolarHBondContact O-CB 3.39Å; D55-L58 PolarHBondContact O-N 2.77Å; D55-S59 PolarHBondContact O-N 2.82Å | ||
| 56 | D | 73.6 | Confident | 68.4 | Low | 90 Ų | 90 | 126.4 Ų | 126.4 | 48% | 0.481 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -58.4 | -32 | -172.5 | -172.7 | 43.3 | 0 | 0 | 0 | 111.9 | R60 | D56-R60 VanDerWaalsContact O-CG 3.3Å; D56-R60 WeakPolarHBondContact O-CG 3.38Å; D56-R60 PolarHBondContact O-N 2.78Å; D56-R60 IonicContact OD1-NE 3.65Å; D56-R60 IonicContact OD2-CZ 3.33Å; D56-R60 IonicContact OD2-NE 2.71Å; D56-R60 PolarHBondContact OD2-NE 2.81Å; D56-R60 IonicContact OD2-NH2 3.64Å; D56-R60 PolarHBondContact OD2-NH2 2.61Å |
| 57 | R | 74.8 | Confident | 69.9 | Low | 209 Ų | 209 | 125.4 Ų | 125.4 | 79% | 0.789 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -72.4 | -35.8 | 176.6 | -156.9 | 176.5 | -173.6 | 179.6 | 2.2 | 112.5 | D55 K61 | D55-R57 PolarHBondContact O-N 3.5Å; D55-R57 VanDerWaalsContact O-N 3.1Å; R57-K61 PolarHBondContact O-N 3.08Å |
| 58 | L | 75.8 | Confident | 71.8 | Confident | 94 Ų | 94 | 124.5 Ų | 124.5 | 49% | 0.492 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -73.7 | -39.9 | 175 | -172.8 | 60.3 | 0 | 0 | 0 | 110.3 | V54 D55 K61 I62 | V54-L58 HydrophobicContact CG1-CB 3.86Å; V54-L58 HydrophobicContact CG1-CD2 3.89Å; V54-L58 HydrophobicContact CG1-CG 3.85Å; D55-L58 HydrophobicContact CB-CB 4.45Å; D55-L58 CarbonylContact O-C 3.59Å; D55-L58 WeakPolarHBondContact O-CA 3.47Å; D55-L58 WeakPolarHBondContact O-CB 3.39Å; D55-L58 PolarHBondContact O-N 2.77Å; L58-K61 WeakPolarHBondContact O-CB 3.45Å; L58-K61 PolarHBondContact O-N 3.49Å; L58-K61 VanDerWaalsContact O-N 3.12Å; L58-I62 HydrophobicContact CG-CD1 3.95Å; L58-I62 HydrophobicContact CG-CG1 4.5Å; L58-I62 VanDerWaalsContact O-CG1 3.25Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.31Å |
| 59 | S | 80.6 | Confident | 73.5 | Confident | 43 Ų | 43 | 121.2 Ų | 121.2 | 30% | 0.301 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -58.9 | -46.5 | 173.7 | -174.8 | 0 | 0 | 0 | 0 | 112.2 | D55 K61 I62 L63 | D55-S59 PolarHBondContact O-N 2.82Å; S59-K61 VanDerWaalsContact C-N 3.29Å; S59-K61 PolarHBondContact O-N 2.92Å; S59-I62 PolarHBondContact O-N 3.38Å; S59-L63 WeakPolarHBondContact O-CB 3.4Å; S59-L63 WeakPolarHBondContact O-CG 3.43Å; S59-L63 PolarHBondContact O-N 2.92Å |
| 60 | R | 83.1 | Confident | 74.7 | Confident | 163 Ų | 163 | 120.7 Ų | 120.7 | 62% | 0.615 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.9 | -38.5 | 173.2 | -73.2 | 176.2 | -158.4 | -160.3 | 6.2 | 112.7 | D56 Q64 | D56-R60 VanDerWaalsContact O-CG 3.3Å; D56-R60 WeakPolarHBondContact O-CG 3.38Å; D56-R60 PolarHBondContact O-N 2.78Å; D56-R60 IonicContact OD1-NE 3.65Å; D56-R60 IonicContact OD2-CZ 3.33Å; D56-R60 IonicContact OD2-NE 2.71Å; D56-R60 PolarHBondContact OD2-NE 2.81Å; D56-R60 IonicContact OD2-NH2 3.64Å; D56-R60 PolarHBondContact OD2-NH2 2.61Å; R60-Q64 VanDerWaalsContact O-CB 3.28Å; R60-Q64 WeakPolarHBondContact O-CB 3.26Å; R60-Q64 PolarHBondContact O-N 3.19Å |
| 61 | K | 83.8 | Confident | 76.1 | Confident | 137 Ų | 137 | 119.3 Ų | 119.3 | 60% | 0.596 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70.9 | -39.3 | 179.1 | -153.7 | 172.5 | -171.4 | -179.5 | 0 | 111.5 | R57 L58 S59 Q64 Q65 | R57-K61 PolarHBondContact O-N 3.08Å; L58-K61 WeakPolarHBondContact O-CB 3.45Å; L58-K61 PolarHBondContact O-N 3.49Å; L58-K61 VanDerWaalsContact O-N 3.12Å; S59-K61 VanDerWaalsContact C-N 3.29Å; S59-K61 PolarHBondContact O-N 2.92Å; K61-Q64 PolarHBondContact O-N 3.17Å; K61-Q65 WeakPolarHBondContact O-CB 3.13Å; K61-Q65 VanDerWaalsContact O-CG 3.28Å; K61-Q65 WeakPolarHBondContact O-CG 3.29Å; K61-Q65 PolarHBondContact O-N 3.12Å |
| 62 | I | 84.1 | Confident | 77 | Confident | 90 Ų | 90 | 118.1 Ų | 118.1 | 46% | 0.462 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.2 | -46.8 | 174 | -68.4 | 164 | 0 | 0 | 0 | 110.1 | V54 L58 S59 Q64 Q65 A66 | V54-I62 HydrophobicContact CG1-CD1 3.93Å; L58-I62 HydrophobicContact CG-CD1 3.95Å; L58-I62 HydrophobicContact CG-CG1 4.5Å; L58-I62 VanDerWaalsContact O-CG1 3.25Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.31Å; S59-I62 PolarHBondContact O-N 3.38Å; I62-Q64 VanDerWaalsContact C-N 3.3Å; I62-Q64 PolarHBondContact O-N 3.18Å; I62-Q65 PolarHBondContact O-N 3.28Å; I62-A66 WeakPolarHBondContact O-CB 3.32Å; I62-A66 PolarHBondContact O-N 3.37Å |
| 63 | L | 84.4 | Confident | 77.6 | Confident | 115 Ų | 115 | 115 Ų | 115 | 60% | 0.602 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.5 | -37.1 | 176.5 | -74.6 | 169.5 | 0 | 0 | 0 | 112.3 | S59 R67 | S59-L63 WeakPolarHBondContact O-CB 3.4Å; S59-L63 WeakPolarHBondContact O-CG 3.43Å; S59-L63 PolarHBondContact O-N 2.92Å; L63-R67 WeakPolarHBondContact O-CB 3.36Å; L63-R67 PolarHBondContact O-N 3.21Å |
| 64 | Q | 87 | Confident | 77.7 | Confident | 129 Ų | 129 | 111 Ų | 111 | 60% | 0.603 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.8 | -41.1 | 176 | -166.6 | 173 | 14.6 | 0 | 0 | 111.8 | R60 K61 I62 R67 I68 | R60-Q64 VanDerWaalsContact O-CB 3.28Å; R60-Q64 WeakPolarHBondContact O-CB 3.26Å; R60-Q64 PolarHBondContact O-N 3.19Å; K61-Q64 PolarHBondContact O-N 3.17Å; I62-Q64 VanDerWaalsContact C-N 3.3Å; I62-Q64 PolarHBondContact O-N 3.18Å; Q64-R67 PolarHBondContact O-N 3.47Å; Q64-I68 HydrophobicContact CG-CD1 4.43Å; Q64-I68 WeakPolarHBondContact O-CD1 3.47Å; Q64-I68 VanDerWaalsContact O-CG1 3.29Å; Q64-I68 WeakPolarHBondContact O-CG1 3.25Å; Q64-I68 PolarHBondContact O-N 3.41Å; Q64-I68 VanDerWaalsContact O-N 3.09Å |
| 65 | Q | 81.9 | Confident | 77.4 | Confident | 98 Ų | 98 | 112 Ų | 112 | 46% | 0.458 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 175 | -71.6 | -65 | -62.1 | 0 | 0 | 112.2 | K61 I62 R67 I68 Q69 | K61-Q65 WeakPolarHBondContact O-CB 3.13Å; K61-Q65 VanDerWaalsContact O-CG 3.28Å; K61-Q65 WeakPolarHBondContact O-CG 3.29Å; K61-Q65 PolarHBondContact O-N 3.12Å; I62-Q65 PolarHBondContact O-N 3.28Å; Q65-R67 VanDerWaalsContact C-N 3.29Å; Q65-R67 PolarHBondContact O-N 3.11Å; Q65-I68 PolarHBondContact O-N 3.02Å; Q65-Q69 WeakPolarHBondContact O-CG 3.3Å; Q65-Q69 PolarHBondContact O-N 2.93Å |
| 66 | A | 83.6 | Confident | 76.3 | Confident | 43 Ų | 43 | 112.5 Ų | 112.5 | 36% | 0.355 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I62 Q69 Q70 | I62-A66 WeakPolarHBondContact O-CB 3.32Å; I62-A66 PolarHBondContact O-N 3.37Å; A66-Q69 PolarHBondContact O-N 3.47Å; A66-Q70 VanDerWaalsContact O-CB 3.27Å; A66-Q70 WeakPolarHBondContact O-CB 3.45Å; A66-Q70 PolarHBondContact O-N 3.26Å |
| 67 | R | 78.6 | Confident | 75.1 | Confident | 192 Ų | 192 | 115.6 Ų | 115.6 | 73% | 0.725 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67 | -38.8 | 176.3 | -161.7 | 173.8 | -170.5 | 171.5 | 3.4 | 112.4 | L63 Q64 Q65 Q70 E71 | L63-R67 WeakPolarHBondContact O-CB 3.36Å; L63-R67 PolarHBondContact O-N 3.21Å; Q64-R67 PolarHBondContact O-N 3.47Å; Q65-R67 VanDerWaalsContact C-N 3.29Å; Q65-R67 PolarHBondContact O-N 3.11Å; R67-Q70 PolarHBondContact O-N 3.23Å; R67-E71 WeakPolarHBondContact O-CB 3.49Å; R67-E71 PolarHBondContact O-N 3.44Å |
| 68 | I | 81.3 | Confident | 74 | Confident | 65 Ų | 65 | 108.6 Ų | 108.6 | 33% | 0.333 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 174.6 | -68.7 | 163.3 | 0 | 0 | 0 | 110.3 | Q64 Q65 Q70 E71 E72 | Q64-I68 HydrophobicContact CG-CD1 4.43Å; Q64-I68 WeakPolarHBondContact O-CD1 3.47Å; Q64-I68 VanDerWaalsContact O-CG1 3.29Å; Q64-I68 WeakPolarHBondContact O-CG1 3.25Å; Q64-I68 PolarHBondContact O-N 3.41Å; Q64-I68 VanDerWaalsContact O-N 3.09Å; Q65-I68 PolarHBondContact O-N 3.02Å; I68-Q70 VanDerWaalsContact C-N 3.3Å; I68-Q70 PolarHBondContact O-N 3.11Å; I68-E71 PolarHBondContact O-N 3.22Å; I68-E72 WeakPolarHBondContact O-CG 3.44Å; I68-E72 PolarHBondContact O-N 2.86Å |
| 69 | Q | 78.8 | Confident | 72.4 | Confident | 109 Ų | 109 | 112.1 Ų | 112.1 | 51% | 0.509 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.5 | -38.5 | 176.9 | -72.1 | 173.5 | 6.6 | 0 | 0 | 112.1 | Q65 A66 E72 L73 | Q65-Q69 WeakPolarHBondContact O-CG 3.3Å; Q65-Q69 PolarHBondContact O-N 2.93Å; A66-Q69 PolarHBondContact O-N 3.47Å; Q69-E72 PolarHBondContact O-N 3.45Å; Q69-L73 WeakPolarHBondContact O-CB 3.48Å; Q69-L73 VanDerWaalsContact O-CG 3.29Å; Q69-L73 WeakPolarHBondContact O-CG 3.39Å; Q69-L73 PolarHBondContact O-N 3.19Å |
| 70 | Q | 68.4 | Low | 70.5 | Confident | 116 Ų | 116 | 114.7 Ų | 114.7 | 54% | 0.542 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.2 | -36.2 | 177.2 | -158.5 | -179.6 | 7.2 | 0 | 0 | 111.9 | A66 R67 I68 Q74 | A66-Q70 VanDerWaalsContact O-CB 3.27Å; A66-Q70 WeakPolarHBondContact O-CB 3.45Å; A66-Q70 PolarHBondContact O-N 3.26Å; R67-Q70 PolarHBondContact O-N 3.23Å; I68-Q70 VanDerWaalsContact C-N 3.3Å; I68-Q70 PolarHBondContact O-N 3.11Å; Q70-Q74 VanDerWaalsContact O-CB 3.3Å; Q70-Q74 WeakPolarHBondContact O-CB 3.5Å; Q70-Q74 WeakPolarHBondContact O-CG 3.45Å; Q70-Q74 PolarHBondContact O-N 3.05Å |
| 71 | E | 75.9 | Confident | 68.6 | Low | 107 Ų | 107 | 113 Ų | 113 | 50% | 0.5 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.7 | -36.6 | 174.2 | -169.2 | 166.8 | -156.6 | 0 | 0 | 111.6 | R67 I68 T75 | R67-E71 WeakPolarHBondContact O-CB 3.49Å; R67-E71 PolarHBondContact O-N 3.44Å; I68-E71 PolarHBondContact O-N 3.22Å; E71-T75 VanDerWaalsContact O-CB 3.31Å; E71-T75 WeakPolarHBondContact O-CB 3.39Å; E71-T75 PolarHBondContact O-N 2.94Å; E71-T75 PolarHBondContact O-OG1 3.09Å |
| 72 | E | 70.8 | Confident | 66.5 | Low | 120 Ų | 120 | 115.2 Ų | 115.2 | 56% | 0.561 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.9 | -49.9 | 171.4 | -75.4 | 175.7 | 175.2 | 0 | 0 | 111.3 | I68 Q69 Q74 T75 E76 | I68-E72 WeakPolarHBondContact O-CG 3.44Å; I68-E72 PolarHBondContact O-N 2.86Å; Q69-E72 PolarHBondContact O-N 3.45Å; E72-Q74 PolarHBondContact O-N 2.81Å; E72-T75 PolarHBondContact O-N 3.37Å; E72-E76 VanDerWaalsContact O-CB 3.3Å; E72-E76 WeakPolarHBondContact O-CB 3.47Å; E72-E76 PolarHBondContact O-N 2.98Å |
| 73 | L | 68.9 | Low | 64.2 | Low | 95 Ų | 95 | 120.7 Ų | 120.7 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.2 | -38.7 | 176.9 | -73.7 | 171.3 | 0 | 0 | 0 | 112.5 | Q69 T75 E76 Y77 | Q69-L73 WeakPolarHBondContact O-CB 3.48Å; Q69-L73 VanDerWaalsContact O-CG 3.29Å; Q69-L73 WeakPolarHBondContact O-CG 3.39Å; Q69-L73 PolarHBondContact O-N 3.19Å; L73-T75 VanDerWaalsContact C-N 3.34Å; L73-E76 PolarHBondContact O-N 3.2Å; L73-Y77 HydrophobicContact CD2-CD2 3.98Å; L73-Y77 HydrophobicContact CD2-CE2 3.81Å; L73-Y77 WeakPolarHBondContact O-CB 3.28Å; L73-Y77 WeakPolarHBondContact O-CD2 3.47Å; L73-Y77 PolarHBondContact O-N 3.01Å |
| 74 | Q | 66.3 | Low | 61.9 | Low | 119 Ų | 119 | 125 Ų | 125 | 56% | 0.556 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.3 | -36.7 | 175.8 | -76.5 | 171.9 | 17.6 | 0 | 0 | 111.9 | Q70 E72 E76 G78 | Q70-Q74 VanDerWaalsContact O-CB 3.3Å; Q70-Q74 WeakPolarHBondContact O-CB 3.5Å; Q70-Q74 WeakPolarHBondContact O-CG 3.45Å; Q70-Q74 PolarHBondContact O-N 3.05Å; E72-Q74 PolarHBondContact O-N 2.81Å; Q74-E76 VanDerWaalsContact C-N 3.32Å; Q74-G78 PolarHBondContact O-N 3.35Å |
| 75 | T | 64.8 | Low | 59.4 | Low | 107 Ų | 107 | 128 Ų | 128 | 66% | 0.656 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.3 | -32.8 | 174.8 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | E71 E72 L73 | E71-T75 VanDerWaalsContact O-CB 3.31Å; E71-T75 WeakPolarHBondContact O-CB 3.39Å; E71-T75 PolarHBondContact O-N 2.94Å; E71-T75 PolarHBondContact O-OG1 3.09Å; E72-T75 PolarHBondContact O-N 3.37Å; L73-T75 VanDerWaalsContact C-N 3.34Å |
| 76 | E | 56.4 | Low | 57 | Low | 121 Ų | 121 | 129.3 Ų | 129.3 | 57% | 0.565 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -83.9 | -35.2 | -177.6 | -163.8 | 175.2 | -166.5 | 0 | 0 | 113.4 | E72 L73 Q74 | E72-E76 VanDerWaalsContact O-CB 3.3Å; E72-E76 WeakPolarHBondContact O-CB 3.47Å; E72-E76 PolarHBondContact O-N 2.98Å; L73-E76 PolarHBondContact O-N 3.2Å; Q74-E76 VanDerWaalsContact C-N 3.32Å |
| 77 | Y | 48.5 | Very low | 54.7 | Low | 155 Ų | 155 | 133.3 Ų | 133.3 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -114.8 | -2.8 | -170.6 | -67.6 | -85.6 | 0 | 0 | 0 | 116.5 | L73 L79 | L73-Y77 HydrophobicContact CD2-CD2 3.98Å; L73-Y77 HydrophobicContact CD2-CE2 3.81Å; L73-Y77 WeakPolarHBondContact O-CB 3.28Å; L73-Y77 WeakPolarHBondContact O-CD2 3.47Å; L73-Y77 PolarHBondContact O-N 3.01Å; Y77-L79 PolarHBondContact O-N 3.44Å |
| 78 | G | 51.1 | Low | 52.6 | Low | 62 Ų | 62 | 130.6 Ų | 130.6 | 64% | 0.639 | 68% | 0.684 | S | S | * | * | trans | 58.1 | 52.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q74 | Q74-G78 PolarHBondContact O-N 3.35Š| ||
| 79 | L | 42 | Very low | 50.2 | Low | 169 Ų | 169 | 134 Ų | 134 | 89% | 0.885 | 71% | 0.708 | S | S | * | * | trans | -98.6 | 103.1 | 164.8 | -69.3 | 164.9 | 0 | 0 | 0 | 109.1 | Y77 | Y77-L79 PolarHBondContact O-N 3.44Š| ||
| 80 | A | 41.2 | Very low | 48.2 | Very low | 96 Ų | 96 | 135 Ų | 135 | 79% | 0.793 | 72% | 0.722 | S | S | * | * | trans | -80 | 170.8 | -173 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 81 | P | 42.8 | Very low | 46.3 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | cis | -123.7 | 164.1 | 29.5 | 35.1 | -16.3 | 0 | 0 | 0 | 117.3 | ||||
| 82 | E | 40.6 | Very low | 44.2 | Very low | 183 Ų | 183 | 136 Ų | 136 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | trans | -55.6 | 147.6 | -173.4 | -64.3 | -163.9 | 146.7 | 0 | 0 | 117 | ||||
| 83 | K | 35 | Very low | 42.7 | Very low | 206 Ų | 206 | 136.3 Ų | 136.3 | 90% | 0.896 | 76% | 0.762 | S | S | * | * | trans | -130.7 | 126.9 | 152.7 | -81.7 | -174.9 | 178.5 | 176.7 | 0 | 111.7 | ||||
| 84 | K | 36.4 | Very low | 40.8 | Very low | 206 Ų | 206 | 139 Ų | 139 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | trans | -53.2 | 134.9 | 176.2 | -64.6 | 172.7 | 176.6 | 177.4 | 0 | 112 | ||||
| 85 | K | 33.7 | Very low | 39.5 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -112.3 | 134.3 | 163 | -71.7 | -176.1 | -177.3 | 172.6 | 0 | 110.1 | ||||
| 86 | T | 33.1 | Very low | 37.9 | Very low | 126 Ų | 126 | 141 Ų | 141 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -71.4 | 159.4 | 178.2 | 41.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 87 | P | 34.5 | Very low | 36.8 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -81.2 | 139.2 | -177.4 | 33.8 | -31.7 | 0 | 0 | 0 | 110.6 | ||||
| 88 | V | 33.4 | Very low | 36 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -127 | 135.6 | 165.3 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 89 | T | 31.3 | Very low | 35.2 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 84% | 0.84 | 82% | 0.82 | S | S | * | * | trans | -68.6 | 154.9 | -169.8 | 40.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 90 | V | 38.3 | Very low | 34.6 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -53.2 | 150.1 | 174.6 | 173.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 91 | L | 27.7 | Very low | 34.3 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | 173.6 | 103.8 | 132 | -89.8 | 157.1 | 0 | 0 | 0 | 108.6 | ||||
| 92 | G | 30.8 | Very low | 33.9 | Very low | 69 Ų | 69 | 142.8 Ų | 142.8 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | 135.6 | 160.2 | 90.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 93 | P | 40.5 | Very low | 33.7 | Very low | 125 Ų | 125 | 142 Ų | 142 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -98.4 | 132.5 | -151.9 | 35.4 | -28 | 0 | 0 | 0 | 113.2 | ||||
| 94 | D | 28 | Very low | 34 | Very low | 151 Ų | 151 | 140 Ų | 140 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | -118.7 | 90.4 | 156.7 | -102.6 | -31.9 | 0 | 0 | 0 | 108.2 | Q96 | D94-Q96 VanDerWaalsContact C-N 3.31Å; D94-Q96 PolarHBondContact O-N 3.33Å; D94-Q96 VanDerWaalsContact O-N 3.17Å | ||
| 95 | S | 40.5 | Very low | 33.8 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | -71.6 | 91.1 | 157.3 | 50.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 96 | Q | 29.7 | Very low | 33.7 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | trans | -99.5 | 110.2 | 154.6 | -78.2 | -176.7 | 11.6 | 0 | 0 | 107.5 | D94 A98 | D94-Q96 VanDerWaalsContact C-N 3.31Å; D94-Q96 PolarHBondContact O-N 3.33Å; D94-Q96 VanDerWaalsContact O-N 3.17Å; Q96-A98 PolarHBondContact O-N 3.46Å | ||
| 97 | D | 34.1 | Very low | 34.4 | Very low | 155 Ų | 155 | 132 Ų | 132 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -49 | 98.1 | 168.9 | -68.8 | -58.4 | 0 | 0 | 0 | 110.2 | D99 | D97-D99 PolarHBondContact O-N 3.49Å; D97-D99 VanDerWaalsContact O-N 3.08Å | ||
| 98 | A | 31.8 | Very low | 34.6 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | trans | -81.7 | 61.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q96 S100 | Q96-A98 PolarHBondContact O-N 3.46Å; A98-S100 PolarHBondContact O-N 2.93Å | ||
| 99 | D | 33.7 | Very low | 34.6 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | trans | -85.4 | 67.1 | 165.8 | -146.6 | 18.2 | 0 | 0 | 0 | 107.5 | D97 | D97-D99 PolarHBondContact O-N 3.49Å; D97-D99 VanDerWaalsContact O-N 3.08Å | ||
| 100 | S | 28.8 | Very low | 34.6 | Very low | 97 Ų | 97 | 129 Ų | 129 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | -99.9 | 81 | 161.2 | -169.9 | 0 | 0 | 0 | 0 | 106.5 | A98 E102 | A98-S100 PolarHBondContact O-N 2.93Å; S100-E102 PolarHBondContact O-N 3.46Å | ||
| 101 | D | 36.9 | Very low | 34.4 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 65% | 0.652 | 75% | 0.75 | S | S | * | * | trans | -61 | 74.2 | 160.3 | -116.2 | -7.3 | 0 | 0 | 0 | 107.1 | E103 | D101-E103 PolarHBondContact O-N 3.22Š| ||
| 102 | E | 33.1 | Very low | 34.7 | Very low | 151 Ų | 151 | 123.1 Ų | 123.1 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | -65.2 | 85.7 | 154 | -84.9 | -168.7 | 171.9 | 0 | 0 | 106 | S100 W104 | S100-E102 PolarHBondContact O-N 3.46Å; E102-W104 VanDerWaalsContact O-CD1 3.29Å; E102-W104 PolarHBondContact O-N 2.98Å | ||
| 103 | E | 36 | Very low | 34.5 | Very low | 166 Ų | 166 | 123.5 Ų | 123.5 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -54.2 | 91.6 | 164.8 | -165.7 | 173.5 | -156.7 | 0 | 0 | 107.2 | D101 | D101-E103 PolarHBondContact O-N 3.22Š| ||
| 104 | W | 42.3 | Very low | 33.9 | Very low | 165 Ų | 165 | 124.1 Ų | 124.1 | 63% | 0.625 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 128.6 | 163.2 | -74.7 | 74.1 | 0 | 0 | 0 | 106.6 | E102 A106 F281 | E102-W104 VanDerWaalsContact O-CD1 3.29Å; E102-W104 PolarHBondContact O-N 2.98Å; W104-A106 PolarHBondContact O-N 2.98Å; W104-A106 VanDerWaalsContact O-N 3.08Å; W104-F281 HydrophobicContact CH2-CZ 4.36Å |
| 105 | P | 30.8 | Very low | 34 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 124.4 | -167.2 | 17.9 | -30.3 | 0 | 0 | 0 | 109.2 | L107 | P105-L107 PolarHBondContact O-N 3.13Š|
| 106 | A | 33.6 | Very low | 33.5 | Very low | 78 Ų | 78 | 123.8 Ų | 123.8 | 65% | 0.645 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 118.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | W104 G108 | W104-A106 PolarHBondContact O-N 2.98Å; W104-A106 VanDerWaalsContact O-N 3.08Å; A106-G108 PolarHBondContact O-N 3.49Å |
| 107 | L | 46.3 | Very low | 33.5 | Very low | 160 Ų | 160 | 119.8 Ų | 119.8 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -67.3 | 80.3 | 170.3 | -90.3 | 164.5 | 0 | 0 | 0 | 108.2 | P105 | P105-L107 PolarHBondContact O-N 3.13Š|
| 108 | G | 38.8 | Very low | 33.7 | Very low | 48 Ų | 48 | 122 Ų | 122 | 50% | 0.495 | 75% | 0.753 | S | S | . | * | trans | -167.1 | 82.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | A106 | A106-G108 PolarHBondContact O-N 3.49Š| ||
| 109 | H | 33.1 | Very low | 33.5 | Very low | 196 Ų | 196 | 120.3 Ų | 120.3 | 91% | 0.907 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 159.1 | 1.7 | 159.3 | -87.3 | 85.3 | 0 | 0 | 0 | 112.2 | G111 | H109-G111 PolarHBondContact O-N 3.44Š|
| 110 | A | 32.9 | Very low | 33.4 | Very low | 91 Ų | 91 | 119.5 Ų | 119.5 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | -87.4 | 26 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 111 | G | 33.7 | Very low | 33.7 | Very low | 73 Ų | 73 | 117.4 Ų | 117.4 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -99.4 | 86.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | H109 | H109-G111 PolarHBondContact O-N 3.44Š|
| 112 | A | 33.3 | Very low | 34 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 92% | 0.917 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 163.7 | 2.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 113 | G | 26.2 | Very low | 35 | Very low | 76 Ų | 76 | 111.8 Ų | 111.8 | 78% | 0.784 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -129.4 | -2.4 | -166.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 114 | D | 28.7 | Very low | 35.8 | Very low | 139 Ų | 139 | 108.8 Ų | 108.8 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | trans | -116.6 | 39.9 | -171.8 | -151.8 | 24.5 | 0 | 0 | 0 | 112.5 | ||||
| 115 | A | 30.2 | Very low | 36.6 | Very low | 93 Ų | 93 | 102.4 Ų | 102.4 | 77% | 0.769 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -86.4 | -8.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 116 | D | 28.9 | Very low | 38.2 | Very low | 156 Ų | 156 | 101.6 Ų | 101.6 | 83% | 0.834 | 66% | 0.659 | S | S | * | * | trans | -132.5 | 44.2 | -170.5 | -71.5 | -36.6 | 0 | 0 | 0 | 113.4 | E118 | D116-E118 PolarHBondContact O-N 3.42Š| ||
| 117 | A | 30 | Very low | 39.4 | Very low | 80 Ų | 80 | 100.5 Ų | 100.5 | 66% | 0.661 | 65% | 0.65 | S | S | * | * | trans | -98.2 | 77.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | G119 | A117-G119 PolarHBondContact O-N 3.07Š| ||
| 118 | E | 38.5 | Very low | 40 | Very low | 201 Ų | 201 | 97.8 Ų | 97.8 | 94% | 0.939 | 64% | 0.637 | S | S | * | * | trans | -48 | 112 | 170.3 | -122 | 168.5 | 175.3 | 0 | 0 | 111.4 | D116 | D116-E118 PolarHBondContact O-N 3.42Š| ||
| 119 | G | 28 | Very low | 41.2 | Very low | 68 Ų | 68 | 96 Ų | 96 | 70% | 0.701 | 62% | 0.615 | S | S | * | * | trans | -169.8 | 50.7 | 179 | 0 | 0 | 0 | 0 | 0 | 108.1 | A117 S121 | A117-G119 PolarHBondContact O-N 3.07Å; G119-S121 PolarHBondContact O-N 3.26Å | ||
| 120 | D | 31.4 | Very low | 42.8 | Very low | 124 Ų | 124 | 90.4 Ų | 90.4 | 66% | 0.663 | 59% | 0.59 | S | S | * | * | trans | -67.3 | 100.4 | -174 | -170.1 | 24.7 | 0 | 0 | 0 | 110.3 | E122 | D120-E122 WeakPolarHBondContact OD1-CB 3.06Å; D120-E122 VanDerWaalsContact OD1-CG 3.23Å; D120-E122 WeakPolarHBondContact OD1-CG 3.11Å; D120-E122 PolarHBondContact OD1-N 3.11Å | ||
| 121 | S | 34.6 | Very low | 44.3 | Very low | 53 Ų | 53 | 91.6 Ų | 91.6 | 37% | 0.371 | 58% | 0.578 | S | S | . | * | trans | -110.1 | 45 | 155.9 | 72.8 | 0 | 0 | 0 | 0 | 108.4 | G119 V123 | G119-S121 PolarHBondContact O-N 3.26Å; S121-V123 PolarHBondContact O-N 2.95Å; S121-V123 VanDerWaalsContact O-N 3.1Å | ||
| 122 | E | 42.7 | Very low | 45.6 | Very low | 144 Ų | 144 | 88.8 Ų | 88.8 | 67% | 0.673 | 55% | 0.548 | S | S | * | . | trans | -57.5 | 115.2 | 158.7 | -82 | -172.4 | 165.4 | 0 | 0 | 107 | D120 V124 | D120-E122 WeakPolarHBondContact OD1-CB 3.06Å; D120-E122 VanDerWaalsContact OD1-CG 3.23Å; D120-E122 WeakPolarHBondContact OD1-CG 3.11Å; D120-E122 PolarHBondContact OD1-N 3.11Å; E122-V124 HydrophobicContact CB-CG2 4.39Å; E122-V124 PolarHBondContact O-N 3.27Å | ||
| 123 | V | 54.7 | Low | 47.3 | Very low | 11 Ų | 11 | 83.5 Ų | 83.5 | 7% | 0.067 | 50% | 0.504 | C | S | . | . | trans | -70.1 | 87.6 | 164.7 | -177.6 | 0 | 0 | 0 | 0 | 104.5 | S121 V125 I306 I340 L344 L377 | S121-V123 PolarHBondContact O-N 2.95Å; S121-V123 VanDerWaalsContact O-N 3.1Å; V123-V125 HydrophobicContact CG1-CG2 4.19Å; V123-V125 PolarHBondContact O-N 3.24Å; V123-I306 HydrophobicContact CB-CG1 4.46Å; V123-I340 HydrophobicContact CG1-CG1 4.38Å; V123-I340 HydrophobicContact CG2-CG2 4.21Å; V123-L344 HydrophobicContact CG2-CD2 4.06Å; V123-L377 HydrophobicContact CG1-CD1 4.29Å; V123-L377 HydrophobicContact CG1-CD2 3.38Å | ||
| 124 | V | 53.1 | Low | 49.1 | Very low | 102 Ų | 102 | 86.1 Ų | 86.1 | 62% | 0.618 | 50% | 0.496 | S | S | * | . | trans | -63.6 | 107.8 | 173.7 | -179 | 0 | 0 | 0 | 0 | 106.5 | E122 | E122-V124 HydrophobicContact CB-CG2 4.39Å; E122-V124 PolarHBondContact O-N 3.27Å | ||
| 125 | V | 59.1 | Low | 50.8 | Low | 32 Ų | 32 | 85.3 Ų | 85.3 | 19% | 0.194 | 49% | 0.489 | C | S | . | . | trans | -93.4 | 116.9 | 174.7 | -178.2 | 0 | 0 | 0 | 0 | 107.1 | V123 D129 E130 L302 I306 L377 | V123-V125 HydrophobicContact CG1-CG2 4.19Å; V123-V125 PolarHBondContact O-N 3.24Å; V125-D129 HydrophobicContact CG1-CB 3.98Å; V125-E130 HydrophobicContact CG1-CG 3.62Å; V125-L302 HydrophobicContact CG1-CD1 4.09Å; V125-I306 HydrophobicContact CG2-CD1 3.68Å; V125-I306 HydrophobicContact CG2-CG1 4.49Å; V125-L377 HydrophobicContact CG2-CD1 4.21Å | ||
| 126 | D | 63.9 | Low | 52.6 | Low | 98 Ų | 98 | 81.3 Ų | 81.3 | 52% | 0.524 | 46% | 0.455 | S | S | . | . | trans | -76.8 | 155.3 | 173.8 | -162.2 | -1.3 | 0 | 0 | 0 | 110.7 | D128 D129 E130 | D126-D128 PolarHBondContact O-N 3.33Å; D126-D128 VanDerWaalsContact O-N 3.16Å; D126-D129 WeakPolarHBondContact O-CA 3.23Å; D126-D129 WeakPolarHBondContact O-CB 3.24Å; D126-D129 PolarHBondContact O-N 3.27Å; D126-E130 PolarHBondContact O-N 3.25Å; D126-E130 VanDerWaalsContact O-N 3.07Å | ||
| 127 | A | 59.3 | Low | 54.3 | Low | 55 Ų | 55 | 75.8 Ų | 75.8 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.9 | -24.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K131 | A127-K131 PolarHBondContact O-N 2.96Å |
| 128 | D | 59 | Low | 55.6 | Low | 103 Ų | 103 | 75.9 Ų | 75.9 | 55% | 0.551 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -81.4 | -27.3 | 174.1 | -72.3 | -21 | 0 | 0 | 0 | 112.6 | D126 K131 A132 | D126-D128 PolarHBondContact O-N 3.33Å; D126-D128 VanDerWaalsContact O-N 3.16Å; D128-K131 PolarHBondContact O-N 3.33Å; D128-K131 IonicContact OD1-NZ 2.89Å; D128-K131 PolarHBondContact OD1-NZ 2.91Å; D128-K131 VanDerWaalsContact OD1-NZ 3.12Å; D128-A132 WeakPolarHBondContact O-CB 3.48Å; D128-A132 PolarHBondContact O-N 2.87Å |
| 129 | D | 64.5 | Low | 56.3 | Low | 9 Ų | 9 | 74.9 Ų | 74.9 | 5% | 0.048 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.4 | -38.4 | 169 | -78.1 | -34.9 | 0 | 0 | 0 | 111.1 | V125 D126 K131 A132 I133 V376 | V125-D129 HydrophobicContact CG1-CB 3.98Å; D126-D129 WeakPolarHBondContact O-CA 3.23Å; D126-D129 WeakPolarHBondContact O-CB 3.24Å; D126-D129 PolarHBondContact O-N 3.27Å; D129-K131 VanDerWaalsContact C-N 3.34Å; D129-K131 PolarHBondContact O-N 3.44Å; D129-A132 PolarHBondContact O-N 3.1Å; D129-I133 HydrophobicContact CB-CD1 4.29Å; D129-I133 VanDerWaalsContact O-CB 3.22Å; D129-I133 WeakPolarHBondContact O-CB 3.5Å; D129-I133 VanDerWaalsContact O-CD1 3.27Å; D129-I133 WeakPolarHBondContact O-CD1 3.36Å; D129-I133 WeakPolarHBondContact O-CG1 3.33Å; D129-I133 PolarHBondContact O-N 3.25Å; D129-V376 VanDerWaalsContact OD1-CB 3.27Å; D129-V376 WeakPolarHBondContact OD1-CB 3.16Å; D129-V376 WeakPolarHBondContact OD1-CG2 3.31Å; D129-V376 PolarHBondContact OD1-N 2.81Å |
| 130 | E | 65.9 | Low | 57.1 | Low | 80 Ų | 80 | 78.3 Ų | 78.3 | 37% | 0.374 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.9 | -47.1 | 175.2 | -65.1 | -166.9 | 153.4 | 0 | 0 | 111.2 | V125 D126 I133 E134 L302 | V125-E130 HydrophobicContact CG1-CG 3.62Å; D126-E130 PolarHBondContact O-N 3.25Å; D126-E130 VanDerWaalsContact O-N 3.07Å; E130-I133 PolarHBondContact O-N 2.83Å; E130-E134 WeakPolarHBondContact O-CB 3.34Å; E130-E134 WeakPolarHBondContact O-CG 3.45Å; E130-E134 PolarHBondContact O-N 3.43Å; E130-L302 HydrophobicContact CB-CD1 4.23Å; E130-L302 HydrophobicContact CG-CD1 3.9Å |
| 131 | K | 64.3 | Low | 58.2 | Low | 115 Ų | 115 | 75 Ų | 75 | 50% | 0.5 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 178.5 | -66.6 | 172.2 | -164.2 | 151.2 | 0 | 112.6 | A127 D128 D129 I133 E134 M135 | A127-K131 PolarHBondContact O-N 2.96Å; D128-K131 PolarHBondContact O-N 3.33Å; D128-K131 IonicContact OD1-NZ 2.89Å; D128-K131 PolarHBondContact OD1-NZ 2.91Å; D128-K131 VanDerWaalsContact OD1-NZ 3.12Å; D129-K131 VanDerWaalsContact C-N 3.34Å; D129-K131 PolarHBondContact O-N 3.44Å; K131-I133 VanDerWaalsContact C-N 3.27Å; K131-I133 PolarHBondContact O-N 3.13Å; K131-E134 PolarHBondContact O-N 3.07Å; K131-M135 WeakPolarHBondContact O-CG 3.23Å; K131-M135 PolarHBondContact O-N 2.71Å |
| 132 | A | 61.9 | Low | 59.1 | Low | 15 Ų | 15 | 76.9 Ų | 76.9 | 12% | 0.124 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | D128 D129 M135 F136 P375 | D128-A132 WeakPolarHBondContact O-CB 3.48Å; D128-A132 PolarHBondContact O-N 2.87Å; D129-A132 PolarHBondContact O-N 3.1Å; A132-M135 WeakPolarHBondContact O-CB 3.26Å; A132-M135 PolarHBondContact O-N 3.23Å; A132-M135 VanDerWaalsContact O-N 3.17Å; A132-F136 WeakPolarHBondContact O-CD2 3.34Å; A132-P375 HydrophobicContact CB-CB 4.18Å; A132-P375 HydrophobicContact CB-CG 3.96Å |
| 133 | I | 67.6 | Low | 59.6 | Low | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -70.6 | -36.3 | -179.8 | -66.6 | 164.9 | 0 | 0 | 0 | 111.8 | D129 E130 K131 M135 F136 M137 L302 P375 L377 | D129-I133 HydrophobicContact CB-CD1 4.29Å; D129-I133 VanDerWaalsContact O-CB 3.22Å; D129-I133 WeakPolarHBondContact O-CB 3.5Å; D129-I133 VanDerWaalsContact O-CD1 3.27Å; D129-I133 WeakPolarHBondContact O-CD1 3.36Å; D129-I133 WeakPolarHBondContact O-CG1 3.33Å; D129-I133 PolarHBondContact O-N 3.25Å; E130-I133 PolarHBondContact O-N 2.83Å; K131-I133 VanDerWaalsContact C-N 3.27Å; K131-I133 PolarHBondContact O-N 3.13Å; I133-M135 PolarHBondContact O-N 3.39Å; I133-F136 CarbonylContact O-C 3.57Å; I133-F136 WeakPolarHBondContact O-CA 3.47Å; I133-F136 PolarHBondContact O-N 3.32Å; I133-M137 HydrophobicContact CG2-CE 3.57Å; I133-M137 HydrophobicContact CG2-CG 4.43Å; I133-M137 WeakPolarHBondContact O-CG 3.49Å; I133-M137 PolarHBondContact O-N 3.04Å; I133-L302 HydrophobicContact CB-CD1 4.24Å; I133-L302 HydrophobicContact CB-CD2 4.38Å; I133-L302 HydrophobicContact CD1-CD1 4.12Å; I133-L302 HydrophobicContact CD1-CD2 3.65Å; I133-L302 HydrophobicContact CG2-CD1 4.18Å; I133-L302 HydrophobicContact CG2-CD2 3.76Å; I133-L302 HydrophobicContact CG2-CG 4.11Å; I133-P375 HydrophobicContact CD1-CB 4.09Å; I133-P375 HydrophobicContact CD1-CG 4.33Å; I133-P375 HydrophobicContact CG1-CB 3.73Å; I133-P375 HydrophobicContact CG1-CG 3.46Å; I133-P375 VanDerWaalsContact CG1-CG 3.46Å; I133-L377 HydrophobicContact CD1-CD1 3.63Å |
| 134 | E | 63.8 | Low | 59.6 | Low | 130 Ų | 130 | 81.6 Ų | 81.6 | 61% | 0.607 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -56.7 | -31.2 | 170.9 | -80.3 | 179 | -179.3 | 0 | 0 | 112.6 | E130 K131 F136 M137 | E130-E134 WeakPolarHBondContact O-CB 3.34Å; E130-E134 WeakPolarHBondContact O-CG 3.45Å; E130-E134 PolarHBondContact O-N 3.43Å; K131-E134 PolarHBondContact O-N 3.07Å; E134-F136 PolarHBondContact O-N 3.32Å; E134-M137 PolarHBondContact O-N 3.02Å |
| 135 | M | 65.4 | Low | 59.7 | Low | 122 Ų | 122 | 84.1 Ų | 84.1 | 60% | 0.601 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -16.3 | 173.8 | -59.4 | -176.6 | -169.8 | 0 | 0 | 113.7 | K131 A132 I133 R372 | K131-M135 WeakPolarHBondContact O-CG 3.23Å; K131-M135 PolarHBondContact O-N 2.71Å; A132-M135 WeakPolarHBondContact O-CB 3.26Å; A132-M135 PolarHBondContact O-N 3.23Å; A132-M135 VanDerWaalsContact O-N 3.17Å; I133-M135 PolarHBondContact O-N 3.39Å; M135-R372 PolarHBondContact O-NH1 3.42Å |
| 136 | F | 67 | Low | 59.9 | Low | 10 Ų | 10 | 84.5 Ų | 84.5 | 4% | 0.044 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -3.3 | 174.9 | -64.1 | -82.1 | 0 | 0 | 0 | 113.3 | A132 I133 E134 Y334 E370 R372 V373 L374 P375 | A132-F136 WeakPolarHBondContact O-CD2 3.34Å; I133-F136 CarbonylContact O-C 3.57Å; I133-F136 WeakPolarHBondContact O-CA 3.47Å; I133-F136 PolarHBondContact O-N 3.32Å; E134-F136 PolarHBondContact O-N 3.32Å; F136-Y334 HydrophobicContact CB-CD1 3.96Å; F136-Y334 HydrophobicContact CB-CE1 3.94Å; F136-Y334 AromaticContact CD1-CD1 3.36Å; F136-Y334 HydrophobicContact CD1-CD1 3.36Å; F136-Y334 AromaticContact CD1-CE1 3.56Å; F136-Y334 HydrophobicContact CD1-CE1 3.56Å; F136-Y334 AromaticContact CD2-CE1 3.91Å; F136-Y334 HydrophobicContact CD2-CE1 3.91Å; F136-Y334 AromaticContact CE1-CD1 3.89Å; F136-Y334 HydrophobicContact CE1-CD1 3.89Å; F136-Y334 AromaticContact CE1-CE1 3.94Å; F136-Y334 HydrophobicContact CE1-CE1 3.94Å; F136-Y334 HydrophobicContact CE2-CE1 4.31Å; F136-Y334 AromaticContact CG-CD1 3.71Å; F136-Y334 HydrophobicContact CG-CD1 3.71Å; F136-Y334 AromaticContact CG-CE1 3.54Å; F136-Y334 HydrophobicContact CG-CE1 3.54Å; F136-Y334 HydrophobicContact CZ-CE1 4.31Å; F136-E370 HydrophobicContact CE1-CG 4.33Å; F136-R372 HydrophobicContact CE1-CB 3.85Å; F136-R372 HydrophobicContact CE1-CG 4.45Å; F136-R372 VanDerWaalsContact CE1-NE 3.31Å; F136-R372 HydrophobicContact CE2-CB 4.26Å; F136-R372 HydrophobicContact CZ-CB 3.43Å; F136-R372 VanDerWaalsContact CZ-CB 3.43Å; F136-R372 HydrophobicContact CZ-CG 4.38Å; F136-V373 VanDerWaalsContact CE2-O 3.31Å; F136-V373 WeakPolarHBondContact CE2-O 3.42Å; F136-L374 HydrophobicContact CE1-CD2 4.42Å; F136-L374 HydrophobicContact CZ-CD2 3.97Å; F136-P375 HydrophobicContact CD2-CG 4.2Å; F136-P375 HydrophobicContact CE2-CG 4.2Å |
| 137 | M | 64.6 | Low | 59.3 | Low | 40 Ų | 40 | 80.7 Ų | 80.7 | 20% | 0.197 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -75.5 | 137.1 | 172.8 | -72.2 | -71.8 | 173.2 | 0 | 0 | 110.4 | I133 E134 K139 C300 N335 A337 | I133-M137 HydrophobicContact CG2-CE 3.57Å; I133-M137 HydrophobicContact CG2-CG 4.43Å; I133-M137 WeakPolarHBondContact O-CG 3.49Å; I133-M137 PolarHBondContact O-N 3.04Å; E134-M137 PolarHBondContact O-N 3.02Å; M137-K139 PolarHBondContact O-N 3.44Å; M137-C300 WeakPolarHBondContact CE-O 3.3Å; M137-N335 WeakPolarHBondContact CE-OD1 3.48Å; M137-N335 PolarHBondContact SD-ND2 3.11Å; M137-N335 PolarHBondContact SD-OD1 3.07Å; M137-A337 HydrophobicContact CE-CB 4.16Å |
| 138 | N | 59.2 | Low | 58.9 | Low | 81 Ų | 81 | 78.7 Ų | 78.7 | 43% | 0.433 | 39% | 0.393 | S | S | . | . | trans | -70.4 | 115.6 | 177.4 | -170.1 | -8.3 | 0 | 0 | 0 | 109.6 | N140 | N138-N140 VanDerWaalsContact C-N 3.25Å; N138-N140 PolarHBondContact O-N 2.84Å; N138-N140 PolarHBondContact OD1-N 3.39Å | ||
| 139 | K | 51.9 | Low | 59.1 | Low | 180 Ų | 180 | 77.2 Ų | 77.2 | 78% | 0.783 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -70.4 | -20 | -176.1 | -64.9 | -178.6 | 179.4 | -179.9 | 0 | 113.3 | M137 | M137-K139 PolarHBondContact O-N 3.44Š|
| 140 | N | 44.7 | Very low | 59.1 | Low | 141 Ų | 141 | 79.7 Ų | 79.7 | 75% | 0.754 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -128.1 | 80.9 | 178.5 | -75.1 | -14.9 | 0 | 0 | 0 | 110.9 | N138 | N138-N140 VanDerWaalsContact C-N 3.25Å; N138-N140 PolarHBondContact O-N 2.84Å; N138-N140 PolarHBondContact OD1-N 3.39Å |
| 141 | P | 55.1 | Low | 58.9 | Low | 55 Ų | 55 | 78.3 Ų | 78.3 | 36% | 0.357 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 148.9 | 175.9 | 30.9 | -37.3 | 0 | 0 | 0 | 112.6 | T299 | P141-T299 HydrophobicContact CB-CG2 3.03Å; P141-T299 HydrophobicContact CG-CG2 3.33Å |
| 142 | P | 53.3 | Low | 58.6 | Low | 91 Ų | 91 | 77.9 Ų | 77.9 | 59% | 0.591 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 138.3 | 169.1 | 25.9 | -32.1 | 0 | 0 | 0 | 110.6 | R144 | P142-R144 PolarHBondContact O-N 2.94Š|
| 143 | V | 52.3 | Low | 58.8 | Low | 134 Ų | 134 | 80.1 Ų | 80.1 | 81% | 0.812 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 130.3 | -178.7 | -178.2 | 0 | 0 | 0 | 0 | 110 | R145 | V143-R145 PolarHBondContact O-N 2.91Š|
| 144 | R | 56.3 | Low | 58.6 | Low | 120 Ų | 120 | 85.6 Ų | 85.6 | 45% | 0.453 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 131.5 | 177.7 | -62.3 | 179.6 | -178.2 | -178.9 | 1.9 | 109.1 | P142 R259 D260 | P142-R144 PolarHBondContact O-N 2.94Å; R144-R259 VanDerWaalsContact NH2-NH2 3.16Å; R144-D260 IonicContact NH1-OD1 3.87Å |
| 145 | R | 54.7 | Low | 58.2 | Low | 156 Ų | 156 | 82.9 Ų | 82.9 | 59% | 0.589 | 42% | 0.415 | S | S | * | . | trans | -108.1 | 115.2 | 171.2 | -60.1 | -171 | -174.8 | -155.1 | 0.8 | 108.6 | V143 I150 E153 | V143-R145 PolarHBondContact O-N 2.91Å; R145-I150 HydrophobicContact CB-CD1 4.26Å; R145-I150 HydrophobicContact CB-CG1 3.95Å; R145-E153 IonicContact CZ-OE1 2.73Å; R145-E153 IonicContact CZ-OE2 3.87Å; R145-E153 IonicContact NH1-OE1 3.63Å; R145-E153 PolarHBondContact NH1-OE1 3.39Å; R145-E153 IonicContact NH1-OE2 2.83Å; R145-E153 PolarHBondContact NH1-OE2 3.07Å; R145-E153 IonicContact NH2-OE1 3.57Å | ||
| 146 | T | 62.6 | Low | 57.7 | Low | 40 Ų | 40 | 80.5 Ų | 80.5 | 25% | 0.245 | 41% | 0.407 | C | S | . | . | trans | -78.2 | 167.7 | 172.2 | 66.4 | 0 | 0 | 0 | 0 | 110.5 | A148 D149 I150 | T146-A148 PolarHBondContact O-N 3.18Å; T146-A148 PolarHBondContact OG1-N 3.46Å; T146-D149 WeakPolarHBondContact CB-OD2 3.49Å; T146-D149 PolarHBondContact N-OD2 2.98Å; T146-D149 PolarHBondContact O-N 3.13Å; T146-D149 VanDerWaalsContact O-N 3.15Å; T146-D149 PolarHBondContact OG1-N 2.95Å; T146-D149 VanDerWaalsContact OG1-N 3.11Å; T146-D149 PolarHBondContact OG1-OD2 2.82Å; T146-I150 WeakPolarHBondContact O-CG1 3.49Å; T146-I150 PolarHBondContact O-N 2.93Å | ||
| 147 | L | 52.4 | Low | 57.2 | Low | 17 Ų | 17 | 83.8 Ų | 83.8 | 9% | 0.089 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -58.7 | -36.3 | 172 | -174.7 | 52.3 | 0 | 0 | 0 | 112 | I151 L252 | L147-I151 HydrophobicContact CD1-CD1 3.75Å; L147-I151 HydrophobicContact CD1-CG1 4.08Å; L147-I151 HydrophobicContact CG-CD1 3.8Å; L147-I151 HydrophobicContact CG-CG1 4.49Å; L147-I151 WeakPolarHBondContact O-CB 3.21Å; L147-I151 VanDerWaalsContact O-CG1 3.24Å; L147-I151 WeakPolarHBondContact O-CG1 3.25Å; L147-I151 PolarHBondContact O-N 2.98Å; L147-L252 HydrophobicContact CB-CB 4.12Å; L147-L252 HydrophobicContact CB-CD2 4.09Å; L147-L252 HydrophobicContact CB-CG 4.5Å; L147-L252 HydrophobicContact CD1-CD1 3.67Å; L147-L252 HydrophobicContact CD1-CD2 4.12Å; L147-L252 HydrophobicContact CD1-CG 4.34Å; L147-L252 HydrophobicContact CD2-CB 4.33Å; L147-L252 HydrophobicContact CD2-CD1 4.37Å; L147-L252 HydrophobicContact CG-CD1 4.43Å |
| 148 | A | 50.8 | Low | 56.8 | Low | 13 Ų | 13 | 87.2 Ų | 87.2 | 11% | 0.107 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T146 I151 M152 Y218 | T146-A148 PolarHBondContact O-N 3.18Å; T146-A148 PolarHBondContact OG1-N 3.46Å; A148-I151 PolarHBondContact O-N 3.46Å; A148-M152 WeakPolarHBondContact O-CB 3.09Å; A148-M152 VanDerWaalsContact O-CG 3.29Å; A148-M152 WeakPolarHBondContact O-CG 3.46Å; A148-M152 PolarHBondContact O-N 3.4Å; A148-Y218 HydrophobicContact CB-CE2 4.08Å |
| 149 | D | 63.3 | Low | 56.2 | Low | 72 Ų | 72 | 89.2 Ų | 89.2 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 178.3 | -56.9 | -41.7 | 0 | 0 | 0 | 111.9 | T146 I151 M152 E153 | T146-D149 WeakPolarHBondContact CB-OD2 3.49Å; T146-D149 PolarHBondContact N-OD2 2.98Å; T146-D149 PolarHBondContact O-N 3.13Å; T146-D149 VanDerWaalsContact O-N 3.15Å; T146-D149 PolarHBondContact OG1-N 2.95Å; T146-D149 VanDerWaalsContact OG1-N 3.11Å; T146-D149 PolarHBondContact OG1-OD2 2.82Å; D149-I151 VanDerWaalsContact C-N 3.35Å; D149-I151 PolarHBondContact O-N 3.42Å; D149-M152 PolarHBondContact O-N 2.84Å; D149-E153 WeakPolarHBondContact O-CB 3.45Å; D149-E153 PolarHBondContact O-N 2.93Å |
| 150 | I | 63.1 | Low | 56.2 | Low | 62 Ų | 62 | 85.4 Ų | 85.4 | 32% | 0.318 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 179.8 | -64.1 | 165.1 | 0 | 0 | 0 | 110.7 | R145 T146 K154 L252 | R145-I150 HydrophobicContact CB-CD1 4.26Å; R145-I150 HydrophobicContact CB-CG1 3.95Å; T146-I150 WeakPolarHBondContact O-CG1 3.49Å; T146-I150 PolarHBondContact O-N 2.93Å; I150-K154 VanDerWaalsContact O-CB 3.26Å; I150-K154 WeakPolarHBondContact O-CB 3.46Å; I150-K154 WeakPolarHBondContact O-CG 3.17Å; I150-K154 PolarHBondContact O-N 3.35Å; I150-L252 HydrophobicContact CD1-CD2 3.9Å |
| 151 | I | 62 | Low | 56.3 | Low | 50 Ų | 50 | 85.2 Ų | 85.2 | 26% | 0.256 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -71.6 | -44.7 | 178.5 | -68.3 | 170.9 | 0 | 0 | 0 | 110.4 | L147 A148 D149 K154 L155 Y218 | L147-I151 HydrophobicContact CD1-CD1 3.75Å; L147-I151 HydrophobicContact CD1-CG1 4.08Å; L147-I151 HydrophobicContact CG-CD1 3.8Å; L147-I151 HydrophobicContact CG-CG1 4.49Å; L147-I151 WeakPolarHBondContact O-CB 3.21Å; L147-I151 VanDerWaalsContact O-CG1 3.24Å; L147-I151 WeakPolarHBondContact O-CG1 3.25Å; L147-I151 PolarHBondContact O-N 2.98Å; A148-I151 PolarHBondContact O-N 3.46Å; D149-I151 VanDerWaalsContact C-N 3.35Å; D149-I151 PolarHBondContact O-N 3.42Å; I151-K154 PolarHBondContact O-N 3.05Å; I151-L155 HydrophobicContact CG2-CD1 4.28Å; I151-L155 WeakPolarHBondContact O-CB 3.42Å; I151-L155 PolarHBondContact O-N 2.96Å; I151-Y218 HydrophobicContact CD1-CD2 3.95Å; I151-Y218 HydrophobicContact CD1-CE2 4.4Å; I151-Y218 HydrophobicContact CD1-CG 4.17Å |
| 152 | M | 59.6 | Low | 55.9 | Low | 106 Ų | 106 | 86 Ų | 86 | 52% | 0.522 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 176.9 | -73 | -171 | -157.3 | 0 | 0 | 111.4 | A148 D149 K154 L155 T156 | A148-M152 WeakPolarHBondContact O-CB 3.09Å; A148-M152 VanDerWaalsContact O-CG 3.29Å; A148-M152 WeakPolarHBondContact O-CG 3.46Å; A148-M152 PolarHBondContact O-N 3.4Å; D149-M152 PolarHBondContact O-N 2.84Å; M152-K154 PolarHBondContact O-N 3.37Å; M152-L155 CarbonylContact O-C 3.44Å; M152-L155 WeakPolarHBondContact O-CB 3.42Å; M152-L155 PolarHBondContact O-N 2.81Å; M152-L155 VanDerWaalsContact O-N 3.1Å; M152-T156 WeakPolarHBondContact O-CG2 3.44Å; M152-T156 PolarHBondContact O-N 2.95Å; M152-T156 PolarHBondContact O-OG1 2.96Å; M152-T156 VanDerWaalsContact O-OG1 3.05Å |
| 153 | E | 64.9 | Low | 55.3 | Low | 63 Ų | 63 | 84.9 Ų | 84.9 | 29% | 0.294 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 174.4 | -172.9 | -179.8 | -169.3 | 0 | 0 | 110.7 | R145 D149 L155 T156 E157 | R145-E153 IonicContact CZ-OE1 2.73Å; R145-E153 IonicContact CZ-OE2 3.87Å; R145-E153 IonicContact NH1-OE1 3.63Å; R145-E153 PolarHBondContact NH1-OE1 3.39Å; R145-E153 IonicContact NH1-OE2 2.83Å; R145-E153 PolarHBondContact NH1-OE2 3.07Å; R145-E153 IonicContact NH2-OE1 3.57Å; D149-E153 WeakPolarHBondContact O-CB 3.45Å; D149-E153 PolarHBondContact O-N 2.93Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 3.01Å; E153-T156 WeakPolarHBondContact CA-OG1 3.32Å; E153-T156 PolarHBondContact O-N 3.34Å; E153-T156 PolarHBondContact O-OG1 3.06Å; E153-E157 HydrophobicContact CG-CG 4.47Å; E153-E157 WeakPolarHBondContact O-CB 3.47Å; E153-E157 VanDerWaalsContact O-CG 3.25Å; E153-E157 WeakPolarHBondContact O-CG 3.15Å; E153-E157 PolarHBondContact O-N 3.45Å |
| 154 | K | 62.6 | Low | 55.1 | Low | 114 Ų | 114 | 84.2 Ų | 84.2 | 50% | 0.496 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68 | -27.7 | 174.8 | -73.9 | -74.1 | 165.4 | -144.4 | 0 | 113.5 | I150 I151 M152 E157 K158 | I150-K154 VanDerWaalsContact O-CB 3.26Å; I150-K154 WeakPolarHBondContact O-CB 3.46Å; I150-K154 WeakPolarHBondContact O-CG 3.17Å; I150-K154 PolarHBondContact O-N 3.35Å; I151-K154 PolarHBondContact O-N 3.05Å; M152-K154 PolarHBondContact O-N 3.37Å; K154-E157 IonicContact NZ-OE2 2.76Å; K154-E157 PolarHBondContact NZ-OE2 2.81Å; K154-K158 WeakPolarHBondContact O-CB 3.23Å; K154-K158 VanDerWaalsContact O-CG 3.27Å; K154-K158 WeakPolarHBondContact O-CG 3.47Å; K154-K158 PolarHBondContact O-N 3.25Å |
| 155 | L | 55.8 | Low | 54.3 | Low | 73 Ų | 73 | 83.5 Ų | 83.5 | 38% | 0.382 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -75.2 | -43.1 | 174.4 | -128.5 | 131.9 | 0 | 0 | 0 | 110.6 | I151 M152 E153 Q159 | I151-L155 HydrophobicContact CG2-CD1 4.28Å; I151-L155 WeakPolarHBondContact O-CB 3.42Å; I151-L155 PolarHBondContact O-N 2.96Å; M152-L155 CarbonylContact O-C 3.44Å; M152-L155 WeakPolarHBondContact O-CB 3.42Å; M152-L155 PolarHBondContact O-N 2.81Å; M152-L155 VanDerWaalsContact O-N 3.1Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 3.01Å; L155-Q159 WeakPolarHBondContact O-CB 3.47Å; L155-Q159 VanDerWaalsContact O-CG 3.27Å; L155-Q159 WeakPolarHBondContact O-CG 3.43Å; L155-Q159 PolarHBondContact O-N 2.99Å |
| 156 | T | 55.8 | Low | 53.4 | Low | 73 Ų | 73 | 83 Ų | 83 | 45% | 0.448 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -71.3 | -42.6 | 177.9 | 53.8 | 0 | 0 | 0 | 0 | 111.6 | M152 E153 K158 Q159 T160 | M152-T156 WeakPolarHBondContact O-CG2 3.44Å; M152-T156 PolarHBondContact O-N 2.95Å; M152-T156 PolarHBondContact O-OG1 2.96Å; M152-T156 VanDerWaalsContact O-OG1 3.05Å; E153-T156 WeakPolarHBondContact CA-OG1 3.32Å; E153-T156 PolarHBondContact O-N 3.34Å; E153-T156 PolarHBondContact O-OG1 3.06Å; T156-K158 VanDerWaalsContact C-N 3.32Å; T156-K158 PolarHBondContact O-N 3.16Å; T156-Q159 CarbonylContact O-C 3.57Å; T156-Q159 PolarHBondContact O-N 3.19Å; T156-Q159 VanDerWaalsContact O-N 3.13Å; T156-T160 WeakPolarHBondContact O-CB 3.34Å; T156-T160 WeakPolarHBondContact O-CG2 3.49Å; T156-T160 PolarHBondContact O-N 2.87Å; T156-T160 PolarHBondContact O-OG1 3.28Å |
| 157 | E | 57.3 | Low | 52.2 | Low | 79 Ų | 79 | 85.5 Ų | 85.5 | 37% | 0.369 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -55.7 | -49.4 | 173.9 | -81.7 | 179 | 168.1 | 0 | 0 | 109.8 | E153 K154 Q159 T160 E161 | E153-E157 HydrophobicContact CG-CG 4.47Å; E153-E157 WeakPolarHBondContact O-CB 3.47Å; E153-E157 VanDerWaalsContact O-CG 3.25Å; E153-E157 WeakPolarHBondContact O-CG 3.15Å; E153-E157 PolarHBondContact O-N 3.45Å; K154-E157 IonicContact NZ-OE2 2.76Å; K154-E157 PolarHBondContact NZ-OE2 2.81Å; E157-Q159 PolarHBondContact O-N 3.43Å; E157-T160 WeakPolarHBondContact CA-OG1 3.48Å; E157-T160 PolarHBondContact O-N 3.36Å; E157-T160 PolarHBondContact O-OG1 3.18Å; E157-E161 VanDerWaalsContact O-CB 3.29Å; E157-E161 WeakPolarHBondContact O-CB 3.46Å; E157-E161 PolarHBondContact O-N 3.32Å |
| 158 | K | 55 | Low | 51.5 | Low | 111 Ų | 111 | 92.9 Ų | 92.9 | 48% | 0.483 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -38 | 176.1 | -75.8 | -174.7 | 176.6 | -165.5 | 0 | 112.9 | K154 T156 V162 M174 | K154-K158 WeakPolarHBondContact O-CB 3.23Å; K154-K158 VanDerWaalsContact O-CG 3.27Å; K154-K158 WeakPolarHBondContact O-CG 3.47Å; K154-K158 PolarHBondContact O-N 3.25Å; T156-K158 VanDerWaalsContact C-N 3.32Å; T156-K158 PolarHBondContact O-N 3.16Å; K158-V162 VanDerWaalsContact O-CB 3.23Å; K158-V162 WeakPolarHBondContact O-CB 3.28Å; K158-V162 WeakPolarHBondContact O-CG2 3.47Å; K158-V162 PolarHBondContact O-N 3.29Å; K158-M174 HydrophobicContact CD-CE 4.37Å |
| 159 | Q | 47.5 | Very low | 50.7 | Low | 123 Ų | 123 | 98.7 Ų | 98.7 | 58% | 0.575 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.7 | -35 | 175.4 | -77.5 | 179.1 | 3.5 | 0 | 0 | 112.9 | L155 T156 E157 V162 G163 | L155-Q159 WeakPolarHBondContact O-CB 3.47Å; L155-Q159 VanDerWaalsContact O-CG 3.27Å; L155-Q159 WeakPolarHBondContact O-CG 3.43Å; L155-Q159 PolarHBondContact O-N 2.99Å; T156-Q159 CarbonylContact O-C 3.57Å; T156-Q159 PolarHBondContact O-N 3.19Å; T156-Q159 VanDerWaalsContact O-N 3.13Å; E157-Q159 PolarHBondContact O-N 3.43Å; Q159-V162 WeakPolarHBondContact O-CB 3.21Å; Q159-V162 PolarHBondContact O-N 3.02Å; Q159-G163 PolarHBondContact O-N 3.06Å |
| 160 | T | 51.4 | Low | 49.2 | Very low | 100 Ų | 100 | 100.3 Ų | 100.3 | 61% | 0.613 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -76 | -31 | 176.3 | 48 | 0 | 0 | 0 | 0 | 112.8 | T156 E157 G163 | T156-T160 WeakPolarHBondContact O-CB 3.34Å; T156-T160 WeakPolarHBondContact O-CG2 3.49Å; T156-T160 PolarHBondContact O-N 2.87Å; T156-T160 PolarHBondContact O-OG1 3.28Å; E157-T160 WeakPolarHBondContact CA-OG1 3.48Å; E157-T160 PolarHBondContact O-N 3.36Å; E157-T160 PolarHBondContact O-OG1 3.18Å; T160-G163 PolarHBondContact O-N 3.24Å |
| 161 | E | 47.3 | Very low | 47.9 | Very low | 137 Ų | 137 | 100.5 Ų | 100.5 | 64% | 0.64 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -73.9 | -30.3 | 172.3 | -156.9 | 171.2 | -150.3 | 0 | 0 | 111.4 | E157 G163 T164 V165 | E157-E161 VanDerWaalsContact O-CB 3.29Å; E157-E161 WeakPolarHBondContact O-CB 3.46Å; E157-E161 PolarHBondContact O-N 3.32Å; E161-G163 PolarHBondContact O-N 2.97Å; E161-T164 PolarHBondContact O-N 2.96Å; E161-V165 PolarHBondContact O-N 3.13Å |
| 162 | V | 46.8 | Very low | 46.4 | Very low | 73 Ų | 73 | 106.7 Ų | 106.7 | 44% | 0.442 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.8 | -21.9 | 169.2 | 163.3 | 0 | 0 | 0 | 0 | 112.2 | K158 Q159 M166 | K158-V162 VanDerWaalsContact O-CB 3.23Å; K158-V162 WeakPolarHBondContact O-CB 3.28Å; K158-V162 WeakPolarHBondContact O-CG2 3.47Å; K158-V162 PolarHBondContact O-N 3.29Å; Q159-V162 WeakPolarHBondContact O-CB 3.21Å; Q159-V162 PolarHBondContact O-N 3.02Å; V162-M166 HydrophobicContact CB-CG 4.16Å; V162-M166 HydrophobicContact CG1-CG 3.64Å; V162-M166 HydrophobicContact CG1-SD 3.92Å; V162-M166 HydrophobicContact CG2-CE 4.18Å; V162-M166 HydrophobicContact CG2-CG 4.49Å; V162-M166 HydrophobicContact CG2-SD 4.37Å; V162-M166 WeakPolarHBondContact O-CG 3.32Å |
| 163 | G | 40.1 | Very low | 45.5 | Very low | 66 Ų | 66 | 107.2 Ų | 107.2 | 68% | 0.68 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -21.9 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | Q159 T160 E161 | Q159-G163 PolarHBondContact O-N 3.06Å; T160-G163 PolarHBondContact O-N 3.24Å; E161-G163 PolarHBondContact O-N 2.97Å |
| 164 | T | 47.3 | Very low | 44.5 | Very low | 120 Ų | 120 | 109 Ų | 109 | 74% | 0.736 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.4 | -13.9 | -172.4 | 35.9 | 0 | 0 | 0 | 0 | 114.7 | E161 | E161-T164 PolarHBondContact O-N 2.96Š|
| 165 | V | 39.9 | Very low | 44 | Very low | 106 Ų | 106 | 108.1 Ų | 108.1 | 64% | 0.642 | 63% | 0.625 | S | S | * | * | trans | -143.6 | 50.1 | -179 | -158.2 | 0 | 0 | 0 | 0 | 112.8 | E161 | E161-V165 PolarHBondContact O-N 3.13Š| ||
| 166 | M | 35.7 | Very low | 44.4 | Very low | 144 Ų | 144 | 113.8 Ų | 113.8 | 71% | 0.709 | 65% | 0.65 | S | S | * | * | trans | -97.9 | 73.3 | 168.5 | -77.9 | -91.9 | 103 | 0 | 0 | 111.2 | V162 | V162-M166 HydrophobicContact CB-CG 4.16Å; V162-M166 HydrophobicContact CG1-CG 3.64Å; V162-M166 HydrophobicContact CG1-SD 3.92Å; V162-M166 HydrophobicContact CG2-CE 4.18Å; V162-M166 HydrophobicContact CG2-CG 4.49Å; V162-M166 HydrophobicContact CG2-SD 4.37Å; V162-M166 WeakPolarHBondContact O-CG 3.32Å | ||
| 167 | S | 38.1 | Very low | 45 | Very low | 94 Ų | 94 | 111.9 Ų | 111.9 | 66% | 0.657 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -162.2 | 117.4 | 138.6 | -164.4 | 0 | 0 | 0 | 0 | 108.2 | ||
| 168 | E | 38 | Very low | 46.1 | Very low | 172 Ų | 172 | 112 Ų | 112 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 86.4 | 117 | 166.5 | -55.3 | -179.5 | -179.2 | 0 | 0 | 118 | ||
| 169 | V | 32.7 | Very low | 47.4 | Very low | 134 Ų | 134 | 111.5 Ų | 111.5 | 81% | 0.812 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 102.2 | 111.3 | 158 | -167.6 | 0 | 0 | 0 | 0 | 116.3 | ||
| 170 | S | 32.8 | Very low | 49.1 | Very low | 107 Ų | 107 | 114.8 Ų | 114.8 | 75% | 0.748 | 66% | 0.655 | S | S | * | * | trans | 84.7 | 55.2 | 162 | 56.5 | 0 | 0 | 0 | 0 | 120.4 | H172 | S170-H172 PolarHBondContact O-N 2.96Å; S170-H172 VanDerWaalsContact O-N 3.12Å | ||
| 171 | G | 35.6 | Very low | 50.6 | Low | 66 Ų | 66 | 113.1 Ų | 113.1 | 68% | 0.68 | 64% | 0.642 | S | S | * | * | 55.1 | 35.1 | 93.5 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 172 | H | 31.2 | Very low | 52.5 | Low | 180 Ų | 180 | 108.8 Ų | 108.8 | 83% | 0.833 | 62% | 0.622 | S | S | * | * | trans | -131.5 | 88.3 | 157 | -73.5 | -53.4 | 0 | 0 | 0 | 111.8 | S170 | S170-H172 PolarHBondContact O-N 2.96Å; S170-H172 VanDerWaalsContact O-N 3.12Å | ||
| 173 | P | 39.1 | Very low | 54.5 | Low | 117 Ų | 117 | 112.5 Ų | 112.5 | 76% | 0.76 | 64% | 0.635 | S | S | * | * | trans | -60.6 | 139 | 164.5 | 26.7 | -31.6 | 0 | 0 | 0 | 108.7 | ||||
| 174 | M | 45.1 | Very low | 56.9 | Low | 100 Ų | 100 | 113.2 Ų | 113.2 | 49% | 0.493 | 63% | 0.626 | S | S | . | * | trans | -51.6 | 132.3 | 168.5 | -158 | 174 | -68.2 | 0 | 0 | 107.8 | K158 E176 | K158-M174 HydrophobicContact CD-CE 4.37Å; M174-E176 PolarHBondContact O-N 2.95Å | ||
| 175 | P | 52.1 | Low | 58.9 | Low | 95 Ų | 95 | 108.3 Ų | 108.3 | 62% | 0.617 | 59% | 0.594 | S | S | * | * | trans | -63.8 | 104.8 | 178.5 | -16.2 | 28.2 | 0 | 0 | 0 | 108.1 | L177 | P175-L177 PolarHBondContact O-N 2.87Š| ||
| 176 | E | 63 | Low | 61.3 | Low | 192 Ų | 192 | 109 Ų | 109 | 90% | 0.897 | 59% | 0.588 | S | S | * | * | trans | -58.6 | 114.7 | 169.5 | -72.9 | -177.4 | 162.5 | 0 | 0 | 107 | M174 D178 | M174-E176 PolarHBondContact O-N 2.95Å; E176-D178 PolarHBondContact O-N 3.05Å | ||
| 177 | L | 69.9 | Low | 63.9 | Low | 34 Ų | 34 | 103.8 Ų | 103.8 | 18% | 0.178 | 57% | 0.572 | C | S | . | * | trans | -60.4 | 137.1 | 173.9 | -79.8 | 169.7 | 0 | 0 | 0 | 108.6 | P175 I181 I182 N212 Q215 L219 | P175-L177 PolarHBondContact O-N 2.87Å; L177-I181 HydrophobicContact CD2-CG2 4.49Å; L177-I182 HydrophobicContact CB-CD1 4.17Å; L177-I182 HydrophobicContact CB-CG1 4Å; L177-N212 WeakPolarHBondContact CD2-ND2 3.41Å; L177-Q215 HydrophobicContact CD1-CB 4.09Å; L177-L219 HydrophobicContact CD1-CD1 3.7Å | ||
| 178 | D | 79.9 | Confident | 66.5 | Low | 81 Ų | 81 | 99.8 Ų | 99.8 | 43% | 0.433 | 54% | 0.544 | S | S | . | . | trans | -50.1 | 127.2 | 175.5 | -178.4 | -25.7 | 0 | 0 | 0 | 109.3 | E176 R180 I181 I182 | E176-D178 PolarHBondContact O-N 3.05Å; D178-R180 PolarHBondContact O-N 3.45Å; D178-R180 WeakPolarHBondContact OD1-CB 3.41Å; D178-R180 PolarHBondContact OD1-N 3.05Å; D178-I181 HydrophobicContact CB-CB 4.49Å; D178-I181 HydrophobicContact CB-CD1 3.91Å; D178-I181 HydrophobicContact CB-CG1 4.03Å; D178-I181 WeakPolarHBondContact O-CA 3.3Å; D178-I181 VanDerWaalsContact O-CB 3.31Å; D178-I181 WeakPolarHBondContact O-CB 3.41Å; D178-I181 PolarHBondContact O-N 3.44Å; D178-I182 PolarHBondContact O-N 3.22Å | ||
| 179 | P | 82.4 | Confident | 69.1 | Low | 100 Ų | 100 | 92.4 Ų | 92.4 | 65% | 0.649 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -48.9 | -31.6 | 179.4 | -29.7 | 34.8 | 0 | 0 | 0 | 114.2 | I182 E183 | P179-I182 WeakPolarHBondContact O-CB 2.85Å; P179-I182 PolarHBondContact O-N 3.35Å; P179-E183 PolarHBondContact O-N 3.12Å; P179-E183 VanDerWaalsContact O-N 3.07Å |
| 180 | R | 82.3 | Confident | 71.9 | Confident | 192 Ų | 192 | 93.5 Ų | 93.5 | 73% | 0.725 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67 | -38.9 | 176.7 | -65.3 | 177.8 | 174.5 | -179.8 | 0.2 | 112.5 | D178 I182 E183 V184 | D178-R180 PolarHBondContact O-N 3.45Å; D178-R180 WeakPolarHBondContact OD1-CB 3.41Å; D178-R180 PolarHBondContact OD1-N 3.05Å; R180-I182 VanDerWaalsContact C-N 3.3Å; R180-E183 PolarHBondContact O-N 3.36Å; R180-V184 VanDerWaalsContact O-CG2 3.28Å; R180-V184 WeakPolarHBondContact O-CG2 3.31Å; R180-V184 PolarHBondContact O-N 2.94Å |
| 181 | I | 83.9 | Confident | 74.8 | Confident | 66 Ų | 66 | 91.9 Ų | 91.9 | 34% | 0.338 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 176.5 | -66 | 176.4 | 0 | 0 | 0 | 109.1 | L177 D178 E183 V184 Y185 | L177-I181 HydrophobicContact CD2-CG2 4.49Å; D178-I181 HydrophobicContact CB-CB 4.49Å; D178-I181 HydrophobicContact CB-CD1 3.91Å; D178-I181 HydrophobicContact CB-CG1 4.03Å; D178-I181 WeakPolarHBondContact O-CA 3.3Å; D178-I181 VanDerWaalsContact O-CB 3.31Å; D178-I181 WeakPolarHBondContact O-CB 3.41Å; D178-I181 PolarHBondContact O-N 3.44Å; I181-E183 PolarHBondContact O-N 2.9Å; I181-V184 PolarHBondContact O-N 3.1Å; I181-Y185 HydrophobicContact CG2-CD2 3.58Å; I181-Y185 HydrophobicContact CG2-CE2 3.67Å; I181-Y185 VanDerWaalsContact O-CD2 3.25Å; I181-Y185 WeakPolarHBondContact O-CD2 3.19Å; I181-Y185 PolarHBondContact O-N 3.48Å |
| 182 | I | 86.5 | Confident | 77.5 | Confident | 46 Ų | 46 | 88.8 Ų | 88.8 | 24% | 0.236 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 178.3 | -60.7 | 175.2 | 0 | 0 | 0 | 111 | L177 D178 P179 R180 K186 L219 | L177-I182 HydrophobicContact CB-CD1 4.17Å; L177-I182 HydrophobicContact CB-CG1 4Å; D178-I182 PolarHBondContact O-N 3.22Å; P179-I182 WeakPolarHBondContact O-CB 2.85Å; P179-I182 PolarHBondContact O-N 3.35Å; R180-I182 VanDerWaalsContact C-N 3.3Å; I182-K186 HydrophobicContact CG2-CD 3.93Å; I182-K186 HydrophobicContact CG2-CG 4.4Å; I182-K186 WeakPolarHBondContact O-CB 3.46Å; I182-K186 VanDerWaalsContact O-CG 3.26Å; I182-K186 WeakPolarHBondContact O-CG 3.31Å; I182-K186 PolarHBondContact O-N 3.36Å; I182-L219 HydrophobicContact CG1-CD1 4.09Å; I182-L219 HydrophobicContact CG2-CD2 4.25Å |
| 183 | E | 88.1 | Confident | 80.5 | Confident | 151 Ų | 151 | 82.2 Ų | 82.2 | 71% | 0.706 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.7 | -42.5 | 179.7 | -167.7 | 173.5 | -169.5 | 0 | 0 | 112.2 | P179 R180 I181 K186 G187 | P179-E183 PolarHBondContact O-N 3.12Å; P179-E183 VanDerWaalsContact O-N 3.07Å; R180-E183 PolarHBondContact O-N 3.36Å; I181-E183 PolarHBondContact O-N 2.9Å; E183-K186 PolarHBondContact O-N 3.18Å; E183-G187 PolarHBondContact O-N 2.86Å |
| 184 | V | 90.8 | Very high | 83.1 | Confident | 81 Ų | 81 | 86.8 Ų | 86.8 | 49% | 0.491 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.1 | -49.3 | 177.7 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | R180 I181 G187 V188 A203 | R180-V184 VanDerWaalsContact O-CG2 3.28Å; R180-V184 WeakPolarHBondContact O-CG2 3.31Å; R180-V184 PolarHBondContact O-N 2.94Å; I181-V184 PolarHBondContact O-N 3.1Å; V184-G187 WeakPolarHBondContact O-CA 3.48Å; V184-G187 PolarHBondContact O-N 3.02Å; V184-G187 VanDerWaalsContact O-N 3.13Å; V184-V188 WeakPolarHBondContact O-CG2 3.39Å; V184-V188 PolarHBondContact O-N 3.3Å; V184-A203 HydrophobicContact CG1-CB 4.29Å |
| 185 | Y | 90.5 | Very high | 85.4 | Confident | 16 Ų | 16 | 82.8 Ų | 82.8 | 6% | 0.063 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -72.6 | -29.6 | -177.8 | -76.2 | -72.7 | 0 | 0 | 0 | 113.2 | I181 G187 V188 S189 A203 I207 V216 T220 | I181-Y185 HydrophobicContact CG2-CD2 3.58Å; I181-Y185 HydrophobicContact CG2-CE2 3.67Å; I181-Y185 VanDerWaalsContact O-CD2 3.25Å; I181-Y185 WeakPolarHBondContact O-CD2 3.19Å; I181-Y185 PolarHBondContact O-N 3.48Å; Y185-G187 VanDerWaalsContact C-N 3.31Å; Y185-V188 PolarHBondContact O-N 3.27Å; Y185-S189 PolarHBondContact O-N 3.05Å; Y185-A203 HydrophobicContact CE1-CB 4.3Å; Y185-A203 WeakPolarHBondContact CE1-O 3.47Å; Y185-A203 PolarHBondContact OH-O 2.79Å; Y185-I207 HydrophobicContact CD1-CD1 4.36Å; Y185-I207 HydrophobicContact CE1-CD1 3.85Å; Y185-I207 HydrophobicContact CE1-CG1 3.78Å; Y185-V216 HydrophobicContact CD1-CG1 3.65Å; Y185-V216 HydrophobicContact CD2-CG1 3.68Å; Y185-V216 HydrophobicContact CE1-CG1 3.39Å; Y185-V216 HydrophobicContact CE2-CG1 3.42Å; Y185-V216 VanDerWaalsContact CE2-CG1 3.42Å; Y185-V216 HydrophobicContact CE2-CG2 4.49Å; Y185-V216 HydrophobicContact CG-CG1 3.8Å; Y185-T220 HydrophobicContact CD1-CG2 3.74Å; Y185-T220 HydrophobicContact CG-CG2 4.37Å |
| 186 | K | 89.7 | Confident | 87.2 | Confident | 120 Ų | 120 | 88.2 Ų | 88.2 | 52% | 0.522 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 166.8 | -76.5 | 179.9 | 177.9 | -179.7 | 0 | 112 | I182 E183 S189 K190 | I182-K186 HydrophobicContact CG2-CD 3.93Å; I182-K186 HydrophobicContact CG2-CG 4.4Å; I182-K186 WeakPolarHBondContact O-CB 3.46Å; I182-K186 VanDerWaalsContact O-CG 3.26Å; I182-K186 WeakPolarHBondContact O-CG 3.31Å; I182-K186 PolarHBondContact O-N 3.36Å; E183-K186 PolarHBondContact O-N 3.18Å; K186-S189 WeakPolarHBondContact O-CB 3.5Å; K186-S189 PolarHBondContact O-N 3.36Å; K186-K190 PolarHBondContact O-N 3.42Å |
| 187 | G | 90.4 | Very high | 88.5 | Confident | 36 Ų | 36 | 83.9 Ų | 83.9 | 37% | 0.371 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E183 V184 Y185 S189 K190 V191 | E183-G187 PolarHBondContact O-N 2.86Å; V184-G187 WeakPolarHBondContact O-CA 3.48Å; V184-G187 PolarHBondContact O-N 3.02Å; V184-G187 VanDerWaalsContact O-N 3.13Å; Y185-G187 VanDerWaalsContact C-N 3.31Å; G187-S189 PolarHBondContact O-N 3.5Å; G187-K190 PolarHBondContact O-N 2.94Å; G187-V191 PolarHBondContact O-N 3.11Å |
| 188 | V | 92.3 | Very high | 89.5 | Confident | 10 Ų | 10 | 84.8 Ų | 84.8 | 6% | 0.061 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -63 | -40.1 | 176.9 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | V184 Y185 K190 V191 L192 P201 A203 F204 T220 | V184-V188 WeakPolarHBondContact O-CG2 3.39Å; V184-V188 PolarHBondContact O-N 3.3Å; Y185-V188 PolarHBondContact O-N 3.27Å; V188-K190 VanDerWaalsContact C-N 3.32Å; V188-K190 PolarHBondContact O-N 3.21Å; V188-V191 WeakPolarHBondContact O-CA 3.29Å; V188-V191 WeakPolarHBondContact O-CB 3.31Å; V188-V191 PolarHBondContact O-N 2.67Å; V188-L192 HydrophobicContact CG1-CD1 3.86Å; V188-L192 HydrophobicContact CG1-CG 4.14Å; V188-L192 WeakPolarHBondContact O-CG 3.25Å; V188-L192 PolarHBondContact O-N 3.44Å; V188-P201 HydrophobicContact CG2-CB 4.34Å; V188-A203 HydrophobicContact CG2-CB 4.28Å; V188-F204 HydrophobicContact CG1-CB 4.17Å; V188-F204 HydrophobicContact CG1-CD2 4.16Å; V188-T220 HydrophobicContact CG1-CG2 4.28Å |
| 189 | S | 92.3 | Very high | 90 | Very high | 16 Ų | 16 | 89.1 Ų | 89.1 | 11% | 0.112 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -53.3 | -47.4 | 175.2 | 178.1 | 0 | 0 | 0 | 0 | 112.2 | Y185 K186 G187 V191 L192 S193 T220 | Y185-S189 PolarHBondContact O-N 3.05Å; K186-S189 WeakPolarHBondContact O-CB 3.5Å; K186-S189 PolarHBondContact O-N 3.36Å; G187-S189 PolarHBondContact O-N 3.5Å; S189-V191 PolarHBondContact O-N 3.23Å; S189-L192 PolarHBondContact O-N 3.34Å; S189-L192 VanDerWaalsContact O-N 3.09Å; S189-S193 PolarHBondContact O-N 3.03Å; S189-S193 PolarHBondContact O-OG 3.26Å; S189-T220 VanDerWaalsContact CB-O 3.23Å; S189-T220 WeakPolarHBondContact CB-O 3.21Å; S189-T220 PolarHBondContact OG-O 2.96Å |
| 190 | K | 92.4 | Very high | 90.4 | Very high | 158 Ų | 158 | 84.8 Ų | 84.8 | 69% | 0.687 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.2 | -28.5 | 177.6 | -66 | 178.3 | -179 | 176.8 | 0 | 113.3 | K186 G187 V188 S193 | K186-K190 PolarHBondContact O-N 3.42Å; G187-K190 PolarHBondContact O-N 2.94Å; V188-K190 VanDerWaalsContact C-N 3.32Å; V188-K190 PolarHBondContact O-N 3.21Å; K190-S193 PolarHBondContact O-OG 3.43Å; K190-S193 VanDerWaalsContact O-OG 3.11Å |
| 191 | V | 93.3 | Very high | 90.9 | Very high | 72 Ų | 72 | 77.5 Ų | 77.5 | 44% | 0.436 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -76.1 | -44.3 | 175 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | G187 V188 S189 S193 R194 Y195 P201 | G187-V191 PolarHBondContact O-N 3.11Å; V188-V191 WeakPolarHBondContact O-CA 3.29Å; V188-V191 WeakPolarHBondContact O-CB 3.31Å; V188-V191 PolarHBondContact O-N 2.67Å; S189-V191 PolarHBondContact O-N 3.23Å; V191-S193 VanDerWaalsContact C-N 3.32Å; V191-S193 PolarHBondContact O-N 3.08Å; V191-R194 PolarHBondContact O-N 3.33Å; V191-Y195 WeakPolarHBondContact O-CB 3.44Å; V191-Y195 PolarHBondContact O-N 3.19Å; V191-Y195 VanDerWaalsContact O-N 3.08Å; V191-P201 HydrophobicContact CG1-CG 4.34Å |
| 192 | L | 93 | Very high | 91.2 | Very high | 1 Ų | 1 | 83 Ų | 83 | 1% | 0.005 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.7 | -32.2 | -178.5 | -66.5 | 173.9 | 0 | 0 | 0 | 113.1 | V188 S189 R194 Y195 L200 F204 W225 T226 A229 | V188-L192 HydrophobicContact CG1-CD1 3.86Å; V188-L192 HydrophobicContact CG1-CG 4.14Å; V188-L192 WeakPolarHBondContact O-CG 3.25Å; V188-L192 PolarHBondContact O-N 3.44Å; S189-L192 PolarHBondContact O-N 3.34Å; S189-L192 VanDerWaalsContact O-N 3.09Å; L192-R194 VanDerWaalsContact C-N 3.25Å; L192-R194 PolarHBondContact O-N 3.04Å; L192-Y195 WeakPolarHBondContact O-CB 3.19Å; L192-Y195 PolarHBondContact O-N 3.05Å; L192-L200 HydrophobicContact CD2-CD2 3.67Å; L192-F204 HydrophobicContact CD1-CD2 3.7Å; L192-F204 HydrophobicContact CD1-CE2 3.57Å; L192-F204 HydrophobicContact CD1-CZ 4.34Å; L192-W225 HydrophobicContact CB-CG 4.17Å; L192-W225 HydrophobicContact CD1-CD2 4.29Å; L192-W225 HydrophobicContact CD1-CZ2 3.81Å; L192-T226 PolarHBondContact O-N 3.32Å; L192-T226 PolarHBondContact O-OG1 2.78Å; L192-T226 VanDerWaalsContact O-OG1 3.12Å; L192-A229 HydrophobicContact CB-CB 4.35Å; L192-A229 HydrophobicContact CD2-CB 4.06Å |
| 193 | S | 93.8 | Very high | 91.4 | Very high | 43 Ų | 43 | 82 Ų | 82 | 30% | 0.301 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -15.8 | 176.5 | 65.3 | 0 | 0 | 0 | 0 | 114.4 | S189 K190 V191 S224 T226 | S189-S193 PolarHBondContact O-N 3.03Å; S189-S193 PolarHBondContact O-OG 3.26Å; K190-S193 PolarHBondContact O-OG 3.43Å; K190-S193 VanDerWaalsContact O-OG 3.11Å; V191-S193 VanDerWaalsContact C-N 3.32Å; V191-S193 PolarHBondContact O-N 3.08Å; S193-S224 VanDerWaalsContact CA-O 3.32Å; S193-S224 WeakPolarHBondContact CA-O 3.43Å; S193-S224 VanDerWaalsContact CB-O 3.29Å; S193-S224 WeakPolarHBondContact CB-O 3.1Å; S193-T226 WeakPolarHBondContact O-CG2 3.45Å |
| 194 | R | 93.5 | Very high | 91.7 | Very high | 213 Ų | 213 | 74.8 Ų | 74.8 | 80% | 0.804 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | 5.2 | 175.4 | -62.7 | -178.5 | -178.8 | 178.5 | -0.2 | 113.2 | V191 L192 | V191-R194 PolarHBondContact O-N 3.33Å; L192-R194 VanDerWaalsContact C-N 3.25Å; L192-R194 PolarHBondContact O-N 3.04Å |
| 195 | Y | 93.9 | Very high | 91.7 | Very high | 16 Ų | 16 | 75.3 Ų | 75.3 | 6% | 0.063 | 38% | 0.376 | C | S | . | . | trans | -68 | 138.5 | -172.5 | -173.2 | -105.4 | 0 | 0 | 0 | 112.3 | V191 L192 S197 G198 L200 T226 A228 A229 Q232 | V191-Y195 WeakPolarHBondContact O-CB 3.44Å; V191-Y195 PolarHBondContact O-N 3.19Å; V191-Y195 VanDerWaalsContact O-N 3.08Å; L192-Y195 WeakPolarHBondContact O-CB 3.19Å; L192-Y195 PolarHBondContact O-N 3.05Å; Y195-S197 WeakPolarHBondContact CE2-O 3.34Å; Y195-G198 PolarHBondContact OH-N 3.38Å; Y195-G198 PolarHBondContact OH-O 3.3Å; Y195-L200 HydrophobicContact CD2-CD2 4.36Å; Y195-L200 HydrophobicContact CE1-CD2 4.17Å; Y195-L200 HydrophobicContact CE2-CD2 4.06Å; Y195-T226 WeakPolarHBondContact O-CB 2.79Å; Y195-T226 WeakPolarHBondContact O-CG2 3.26Å; Y195-T226 PolarHBondContact O-OG1 3.45Å; Y195-A228 HydrophobicContact CD1-CB 4.31Å; Y195-A229 HydrophobicContact CD1-CB 3.93Å; Y195-A229 HydrophobicContact CG-CB 4.38Å; Y195-Q232 VanDerWaalsContact CE1-CD 3.44Å; Y195-Q232 HydrophobicContact CE1-CG 4.25Å; Y195-Q232 VanDerWaalsContact CE1-NE2 3.31Å; Y195-Q232 PolarHBondContact OH-NE2 2.85Å; Y195-Q232 PolarHBondContact OH-OE1 3.49Å | ||
| 196 | R | 89.9 | Confident | 91.8 | Very high | 209 Ų | 209 | 78.9 Ų | 78.9 | 79% | 0.789 | 40% | 0.395 | S | S | * | . | trans | -130.2 | -51.5 | 177.8 | -74.3 | -80.6 | -174.5 | 177.9 | -1.5 | 110.5 | ||||
| 197 | S | 89.1 | Confident | 91.9 | Very high | 100 Ų | 100 | 73.1 Ų | 73.1 | 70% | 0.699 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -156.4 | 163.8 | -175.6 | 53.4 | 0 | 0 | 0 | 0 | 110.6 | Y195 | Y195-S197 WeakPolarHBondContact CE2-O 3.34Š|
| 198 | G | 90.9 | Very high | 91.9 | Very high | 54 Ų | 54 | 72 Ų | 72 | 56% | 0.557 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 118.5 | -162.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y195 | Y195-G198 PolarHBondContact OH-N 3.38Å; Y195-G198 PolarHBondContact OH-O 3.3Å |
| 199 | K | 90.3 | Very high | 91.8 | Very high | 172 Ų | 172 | 75.8 Ų | 75.8 | 75% | 0.748 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -89.9 | 131.4 | 174.9 | -67.5 | -170.6 | 176.9 | -169.3 | 0 | 109.2 | ||
| 200 | L | 90.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 77.4 Ų | 77.4 | 4% | 0.042 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 147.7 | 172.6 | -76.2 | 170.8 | 0 | 0 | 0 | 111.7 | L192 Y195 K202 F204 K205 Q232 I236 | L192-L200 HydrophobicContact CD2-CD2 3.67Å; Y195-L200 HydrophobicContact CD2-CD2 4.36Å; Y195-L200 HydrophobicContact CE1-CD2 4.17Å; Y195-L200 HydrophobicContact CE2-CD2 4.06Å; L200-K202 PolarHBondContact O-N 3.2Å; L200-F204 HydrophobicContact CB-CD1 4.49Å; L200-F204 HydrophobicContact CD1-CD1 3.88Å; L200-F204 HydrophobicContact CD1-CE1 4Å; L200-K205 HydrophobicContact CB-CG 4.44Å; L200-K205 WeakPolarHBondContact O-CE 3.24Å; L200-Q232 HydrophobicContact CD1-CB 3.54Å; L200-Q232 HydrophobicContact CG-CB 4.38Å; L200-I236 HydrophobicContact CD1-CD1 3.48Å; L200-I236 VanDerWaalsContact CD1-CD1 3.48Å |
| 201 | P | 93.1 | Very high | 91.2 | Very high | 39 Ų | 39 | 75.5 Ų | 75.5 | 25% | 0.253 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 138.6 | 175.3 | -26.6 | 34.8 | 0 | 0 | 0 | 112.2 | V188 V191 A203 F204 K205 | V188-P201 HydrophobicContact CG2-CB 4.34Å; V191-P201 HydrophobicContact CG1-CG 4.34Å; P201-A203 PolarHBondContact O-N 2.6Å; P201-F204 WeakPolarHBondContact O-CB 3.48Å; P201-F204 PolarHBondContact O-N 2.69Å; P201-K205 PolarHBondContact O-N 3.49Å |
| 202 | K | 90.8 | Very high | 90.9 | Very high | 182 Ų | 182 | 74.4 Ų | 74.4 | 79% | 0.791 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -56.3 | -38.8 | 178.8 | -69.8 | -173.2 | 178.2 | -175 | 0 | 112 | L200 F204 K205 I206 | L200-K202 PolarHBondContact O-N 3.2Å; K202-F204 PolarHBondContact O-N 3.03Å; K202-K205 PolarHBondContact O-N 3.32Å; K202-K205 VanDerWaalsContact O-N 3.11Å; K202-I206 PolarHBondContact O-N 2.7Å |
| 203 | A | 91.3 | Very high | 90.7 | Very high | 24 Ų | 24 | 74.8 Ų | 74.8 | 20% | 0.198 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -56.1 | -36.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | V184 Y185 V188 P201 I206 | V184-A203 HydrophobicContact CG1-CB 4.29Å; Y185-A203 HydrophobicContact CE1-CB 4.3Å; Y185-A203 WeakPolarHBondContact CE1-O 3.47Å; Y185-A203 PolarHBondContact OH-O 2.79Å; V188-A203 HydrophobicContact CG2-CB 4.28Å; P201-A203 PolarHBondContact O-N 2.6Å; A203-I206 WeakPolarHBondContact O-CG1 3.36Å |
| 204 | F | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -73 | -39.1 | 176.8 | -172.8 | -97.5 | 0 | 0 | 0 | 112.3 | V188 L192 L200 P201 K202 I206 I207 W225 A233 I236 F237 | V188-F204 HydrophobicContact CG1-CB 4.17Å; V188-F204 HydrophobicContact CG1-CD2 4.16Å; L192-F204 HydrophobicContact CD1-CD2 3.7Å; L192-F204 HydrophobicContact CD1-CE2 3.57Å; L192-F204 HydrophobicContact CD1-CZ 4.34Å; L200-F204 HydrophobicContact CB-CD1 4.49Å; L200-F204 HydrophobicContact CD1-CD1 3.88Å; L200-F204 HydrophobicContact CD1-CE1 4Å; P201-F204 WeakPolarHBondContact O-CB 3.48Å; P201-F204 PolarHBondContact O-N 2.69Å; K202-F204 PolarHBondContact O-N 3.03Å; F204-I206 PolarHBondContact O-N 3.39Å; F204-I207 HydrophobicContact CD2-CD1 3.5Å; F204-I207 VanDerWaalsContact CD2-CD1 3.5Å; F204-I207 HydrophobicContact CE2-CD1 3.91Å; F204-I207 HydrophobicContact CG-CD1 4.15Å; F204-I207 WeakPolarHBondContact O-CB 3.26Å; F204-I207 WeakPolarHBondContact O-CG1 3.37Å; F204-I207 PolarHBondContact O-N 3.27Å; F204-W225 AromaticContact CE2-CH2 3.62Å; F204-W225 HydrophobicContact CE2-CH2 3.62Å; F204-W225 AromaticContact CE2-CZ2 3.62Å; F204-W225 HydrophobicContact CE2-CZ2 3.62Å; F204-W225 AromaticContact CZ-CH2 3.6Å; F204-W225 HydrophobicContact CZ-CH2 3.6Å; F204-W225 HydrophobicContact CZ-CZ2 4.05Å; F204-W225 HydrophobicContact CZ-CZ3 4.17Å; F204-A233 HydrophobicContact CE1-CB 3.96Å; F204-A233 HydrophobicContact CZ-CB 3.67Å; F204-I236 HydrophobicContact CD1-CD1 4.22Å; F204-I236 HydrophobicContact CE1-CD1 4.28Å; F204-F237 HydrophobicContact CE1-CE2 4.12Å; F204-F237 HydrophobicContact CE2-CE2 4.45Å; F204-F237 AromaticContact CZ-CE2 3.77Å; F204-F237 HydrophobicContact CZ-CE2 3.77Å |
| 205 | K | 91.9 | Very high | 90.1 | Very high | 93 Ų | 93 | 67.8 Ų | 67.8 | 40% | 0.404 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.8 | -26.6 | -178.4 | -65.6 | -175.5 | 178.6 | -173.8 | 0 | 113.6 | L200 P201 K202 P208 I236 | L200-K205 HydrophobicContact CB-CG 4.44Å; L200-K205 WeakPolarHBondContact O-CE 3.24Å; P201-K205 PolarHBondContact O-N 3.49Å; K202-K205 PolarHBondContact O-N 3.32Å; K202-K205 VanDerWaalsContact O-N 3.11Å; K205-P208 WeakPolarHBondContact O-CD 3.49Å; K205-I236 HydrophobicContact CG-CD1 4.05Å |
| 206 | I | 92 | Very high | 89.8 | Confident | 90 Ų | 90 | 67.1 Ų | 67.1 | 46% | 0.462 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -9.4 | -179.8 | 62.4 | 168.2 | 0 | 0 | 0 | 113.7 | K202 A203 F204 P208 A209 | K202-I206 PolarHBondContact O-N 2.7Å; A203-I206 WeakPolarHBondContact O-CG1 3.36Å; F204-I206 PolarHBondContact O-N 3.39Å; I206-P208 VanDerWaalsContact C-CD 3.46Å; I206-P208 VanDerWaalsContact C-N 3.34Å; I206-A209 WeakPolarHBondContact O-CB 3.43Å; I206-A209 PolarHBondContact O-N 3.36Å |
| 207 | I | 90.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -50.8 | -46.1 | -179.3 | -64.4 | 173.6 | 0 | 0 | 0 | 112.6 | Y185 F204 A209 L210 W213 V216 T220 F237 | Y185-I207 HydrophobicContact CD1-CD1 4.36Å; Y185-I207 HydrophobicContact CE1-CD1 3.85Å; Y185-I207 HydrophobicContact CE1-CG1 3.78Å; F204-I207 HydrophobicContact CD2-CD1 3.5Å; F204-I207 VanDerWaalsContact CD2-CD1 3.5Å; F204-I207 HydrophobicContact CE2-CD1 3.91Å; F204-I207 HydrophobicContact CG-CD1 4.15Å; F204-I207 WeakPolarHBondContact O-CB 3.26Å; F204-I207 WeakPolarHBondContact O-CG1 3.37Å; F204-I207 PolarHBondContact O-N 3.27Å; I207-A209 PolarHBondContact O-N 2.95Å; I207-A209 VanDerWaalsContact O-N 3.11Å; I207-L210 WeakPolarHBondContact O-CB 3.41Å; I207-L210 PolarHBondContact O-N 3.48Å; I207-L210 VanDerWaalsContact O-N 3.07Å; I207-W213 HydrophobicContact CG2-CB 3.97Å; I207-W213 VanDerWaalsContact O-CB 3.25Å; I207-W213 WeakPolarHBondContact O-CB 3.31Å; I207-V216 HydrophobicContact CD1-CG1 4.22Å; I207-V216 HydrophobicContact CG1-CG1 3.95Å; I207-T220 HydrophobicContact CD1-CG2 4.45Å; I207-F237 HydrophobicContact CB-CZ 4.15Å; I207-F237 HydrophobicContact CG2-CE1 4.02Å; I207-F237 HydrophobicContact CG2-CZ 3.76Å |
| 208 | P | 91 | Very high | 89.8 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 8% | 0.084 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -53.8 | -28.2 | 175.7 | -32.4 | 38.9 | 0 | 0 | 0 | 116.6 | K205 I206 I236 F237 N240 L241 | K205-P208 WeakPolarHBondContact O-CD 3.49Å; I206-P208 VanDerWaalsContact C-CD 3.46Å; I206-P208 VanDerWaalsContact C-N 3.34Å; P208-I236 HydrophobicContact CG-CG2 3.83Å; P208-F237 HydrophobicContact CG-CD1 4.47Å; P208-F237 HydrophobicContact CG-CE1 4.42Å; P208-N240 HydrophobicContact CB-CB 3.57Å; P208-N240 HydrophobicContact CG-CB 3.91Å; P208-L241 HydrophobicContact CB-CD1 3.44Å; P208-L241 VanDerWaalsContact CB-CD1 3.44Å; P208-L241 HydrophobicContact CB-CG 4.35Å; P208-L241 HydrophobicContact CG-CD1 3.57Å |
| 209 | A | 90 | Very high | 89.7 | Confident | 89 Ų | 89 | 55.9 Ų | 55.9 | 74% | 0.736 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -87.2 | -10.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I206 I207 | I206-A209 WeakPolarHBondContact O-CB 3.43Å; I206-A209 PolarHBondContact O-N 3.36Å; I207-A209 PolarHBondContact O-N 2.95Å; I207-A209 VanDerWaalsContact O-N 3.11Å |
| 210 | L | 87.9 | Confident | 89.7 | Confident | 50 Ų | 50 | 47.7 Ų | 47.7 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | trans | -79 | 142.9 | -179.5 | -57 | 177.5 | 0 | 0 | 0 | 110.8 | I207 N212 W213 V216 | I207-L210 WeakPolarHBondContact O-CB 3.41Å; I207-L210 PolarHBondContact O-N 3.48Å; I207-L210 VanDerWaalsContact O-N 3.07Å; L210-N212 VanDerWaalsContact C-N 3.3Å; L210-N212 PolarHBondContact O-N 3.4Å; L210-W213 HydrophobicContact CB-CB 4.48Å; L210-V216 HydrophobicContact CD1-CB 4.34Å; L210-V216 HydrophobicContact CD1-CG1 4.1Å; L210-V216 HydrophobicContact CD1-CG2 4Å | ||
| 211 | S | 84.8 | Confident | 89.6 | Confident | 118 Ų | 118 | 50.5 Ų | 50.5 | 83% | 0.825 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -33.7 | 174.6 | 53.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 212 | N | 86.8 | Confident | 89.5 | Confident | 49 Ų | 49 | 49.4 Ų | 49.4 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 37.1 | -179.2 | 62.9 | -27 | 0 | 0 | 0 | 112.9 | L177 L210 E214 Q215 V216 | L177-N212 WeakPolarHBondContact CD2-ND2 3.41Å; L210-N212 VanDerWaalsContact C-N 3.3Å; L210-N212 PolarHBondContact O-N 3.4Å; N212-E214 PolarHBondContact O-N 2.83Å; N212-E214 VanDerWaalsContact O-N 3.17Å; N212-Q215 PolarHBondContact O-N 3.44Å; N212-V216 PolarHBondContact O-N 2.86Å |
| 213 | W | 89.1 | Confident | 89.4 | Confident | 8 Ų | 8 | 47 Ų | 47 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.4 | -34.3 | -175.3 | 72.6 | -87.5 | 0 | 0 | 0 | 114 | I207 L210 V216 L217 F237 L241 M245 R248 F249 | I207-W213 HydrophobicContact CG2-CB 3.97Å; I207-W213 VanDerWaalsContact O-CB 3.25Å; I207-W213 WeakPolarHBondContact O-CB 3.31Å; L210-W213 HydrophobicContact CB-CB 4.48Å; W213-V216 PolarHBondContact O-N 3.4Å; W213-L217 HydrophobicContact CE3-CD2 4.09Å; W213-L217 HydrophobicContact CZ3-CD2 3.71Å; W213-L217 WeakPolarHBondContact O-CB 3.32Å; W213-L217 PolarHBondContact O-N 3.2Å; W213-F237 HydrophobicContact CE3-CE1 4.03Å; W213-F237 HydrophobicContact CZ3-CE1 4.3Å; W213-L241 HydrophobicContact CD2-CD2 4.45Å; W213-L241 HydrophobicContact CE3-CD2 4.4Å; W213-L241 HydrophobicContact CH2-CD2 4.19Å; W213-L241 HydrophobicContact CZ2-CD2 4.23Å; W213-L241 HydrophobicContact CZ3-CD2 4.27Å; W213-M245 HydrophobicContact CZ2-CB 3.91Å; W213-R248 HydrophobicContact CH2-CB 4.26Å; W213-R248 HydrophobicContact CZ2-CB 4.28Å; W213-F249 HydrophobicContact CH2-CB 4Å; W213-F249 HydrophobicContact CZ3-CB 4.14Å |
| 214 | E | 87.8 | Confident | 89.4 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.3 | -42.5 | -179.7 | -69.3 | 176.3 | -157.4 | 0 | 0 | 112.6 | N212 L217 Y218 R248 | N212-E214 PolarHBondContact O-N 2.83Å; N212-E214 VanDerWaalsContact O-N 3.17Å; E214-L217 PolarHBondContact O-N 3.24Å; E214-Y218 PolarHBondContact O-N 3.4Å; E214-R248 VanDerWaalsContact CD-NH1 3.28Å; E214-R248 WeakPolarHBondContact OE1-CD 3.29Å; E214-R248 IonicContact OE1-CZ 3.32Å; E214-R248 IonicContact OE1-NE 3.69Å; E214-R248 PolarHBondContact OE1-NE 2.98Å; E214-R248 IonicContact OE1-NH1 3.52Å; E214-R248 PolarHBondContact OE1-NH1 3.17Å; E214-R248 IonicContact OE1-NH2 3.67Å; E214-R248 PolarHBondContact OE1-NH2 2.86Å; E214-R248 IonicContact OE2-CZ 2.72Å; E214-R248 IonicContact OE2-NE 3.83Å; E214-R248 IonicContact OE2-NH1 3.19Å; E214-R248 PolarHBondContact OE2-NH1 3.27Å; E214-R248 VanDerWaalsContact OE2-NH1 3.16Å; E214-R248 IonicContact OE2-NH2 2.94Å; E214-R248 PolarHBondContact OE2-NH2 3.31Å |
| 215 | Q | 85.9 | Confident | 89.4 | Confident | 72 Ų | 72 | 48.3 Ų | 48.3 | 34% | 0.336 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.1 | -43.1 | 178.3 | -65.2 | 175.8 | -9.1 | 0 | 0 | 110.7 | L177 N212 L217 Y218 L219 | L177-Q215 HydrophobicContact CD1-CB 4.09Å; N212-Q215 PolarHBondContact O-N 3.44Å; Q215-L217 VanDerWaalsContact C-N 3.31Å; Q215-L217 PolarHBondContact O-N 3.2Å; Q215-Y218 WeakPolarHBondContact O-CB 3.49Å; Q215-Y218 PolarHBondContact O-N 3.1Å; Q215-L219 WeakPolarHBondContact O-CG 3.41Å; Q215-L219 PolarHBondContact O-N 3.11Å |
| 216 | V | 88.9 | Confident | 89.5 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 177.3 | 173.9 | 0 | 0 | 0 | 0 | 111 | Y185 I207 L210 N212 W213 Y218 L219 T220 | Y185-V216 HydrophobicContact CD1-CG1 3.65Å; Y185-V216 HydrophobicContact CD2-CG1 3.68Å; Y185-V216 HydrophobicContact CE1-CG1 3.39Å; Y185-V216 HydrophobicContact CE2-CG1 3.42Å; Y185-V216 VanDerWaalsContact CE2-CG1 3.42Å; Y185-V216 HydrophobicContact CE2-CG2 4.49Å; Y185-V216 HydrophobicContact CG-CG1 3.8Å; I207-V216 HydrophobicContact CD1-CG1 4.22Å; I207-V216 HydrophobicContact CG1-CG1 3.95Å; L210-V216 HydrophobicContact CD1-CB 4.34Å; L210-V216 HydrophobicContact CD1-CG1 4.1Å; L210-V216 HydrophobicContact CD1-CG2 4Å; N212-V216 PolarHBondContact O-N 2.86Å; W213-V216 PolarHBondContact O-N 3.4Å; V216-Y218 VanDerWaalsContact C-N 3.34Å; V216-L219 WeakPolarHBondContact O-CB 3.46Å; V216-L219 PolarHBondContact O-N 3.07Å; V216-T220 PolarHBondContact O-N 3.27Å |
| 217 | L | 89.9 | Confident | 89.6 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -39.8 | 175.9 | -170 | 65.6 | 0 | 0 | 0 | 111.5 | W213 E214 Q215 L219 T220 P222 W225 F237 F249 V253 | W213-L217 HydrophobicContact CE3-CD2 4.09Å; W213-L217 HydrophobicContact CZ3-CD2 3.71Å; W213-L217 WeakPolarHBondContact O-CB 3.32Å; W213-L217 PolarHBondContact O-N 3.2Å; E214-L217 PolarHBondContact O-N 3.24Å; Q215-L217 VanDerWaalsContact C-N 3.31Å; Q215-L217 PolarHBondContact O-N 3.2Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 3.49Å; L217-T220 PolarHBondContact O-N 3.34Å; L217-T220 PolarHBondContact O-OG1 3.03Å; L217-P222 HydrophobicContact CG-CG 4.14Å; L217-W225 HydrophobicContact CD1-CH2 3.54Å; L217-W225 HydrophobicContact CD1-CZ2 3.85Å; L217-F237 HydrophobicContact CD1-CE1 4.42Å; L217-F237 HydrophobicContact CD1-CE2 4.32Å; L217-F237 HydrophobicContact CD1-CZ 3.73Å; L217-F237 HydrophobicContact CD2-CE1 4.46Å; L217-F249 HydrophobicContact CD2-CD2 3.85Å; L217-F249 HydrophobicContact CD2-CE2 4.23Å; L217-V253 HydrophobicContact CD2-CG2 4.14Å |
| 218 | Y | 89 | Confident | 89.8 | Confident | 88 Ų | 88 | 42 Ų | 42 | 35% | 0.345 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.1 | -39.7 | 175.9 | -174.6 | -102.1 | 0 | 0 | 0 | 112.1 | A148 I151 E214 Q215 V216 T220 D221 | A148-Y218 HydrophobicContact CB-CE2 4.08Å; I151-Y218 HydrophobicContact CD1-CD2 3.95Å; I151-Y218 HydrophobicContact CD1-CE2 4.4Å; I151-Y218 HydrophobicContact CD1-CG 4.17Å; E214-Y218 PolarHBondContact O-N 3.4Å; Q215-Y218 WeakPolarHBondContact O-CB 3.49Å; Q215-Y218 PolarHBondContact O-N 3.1Å; V216-Y218 VanDerWaalsContact C-N 3.34Å; Y218-T220 PolarHBondContact O-N 3.07Å; Y218-D221 PolarHBondContact O-N 3.33Å |
| 219 | L | 88.6 | Confident | 90 | Very high | 37 Ų | 37 | 41.5 Ų | 41.5 | 19% | 0.194 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -23.3 | 175.7 | -66.4 | 174.1 | 0 | 0 | 0 | 113.9 | L177 I182 Q215 V216 L217 | L177-L219 HydrophobicContact CD1-CD1 3.7Å; I182-L219 HydrophobicContact CG1-CD1 4.09Å; I182-L219 HydrophobicContact CG2-CD2 4.25Å; Q215-L219 WeakPolarHBondContact O-CG 3.41Å; Q215-L219 PolarHBondContact O-N 3.11Å; V216-L219 WeakPolarHBondContact O-CB 3.46Å; V216-L219 PolarHBondContact O-N 3.07Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 3.49Å |
| 220 | T | 89.4 | Confident | 90.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -1.8 | 177.1 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | Y185 V188 S189 I207 V216 L217 Y218 W225 | Y185-T220 HydrophobicContact CD1-CG2 3.74Å; Y185-T220 HydrophobicContact CG-CG2 4.37Å; V188-T220 HydrophobicContact CG1-CG2 4.28Å; S189-T220 VanDerWaalsContact CB-O 3.23Å; S189-T220 WeakPolarHBondContact CB-O 3.21Å; S189-T220 PolarHBondContact OG-O 2.96Å; I207-T220 HydrophobicContact CD1-CG2 4.45Å; V216-T220 PolarHBondContact O-N 3.27Å; L217-T220 PolarHBondContact O-N 3.34Å; L217-T220 PolarHBondContact O-OG1 3.03Å; Y218-T220 PolarHBondContact O-N 3.07Å; T220-W225 PolarHBondContact O-NE1 2.89Å; T220-W225 WeakPolarHBondContact OG1-CZ2 3.21Å |
| 221 | D | 89.6 | Confident | 90.6 | Very high | 67 Ų | 67 | 37.8 Ų | 37.8 | 36% | 0.358 | 20% | 0.201 | S | C | . | . | trans | 49.6 | 76.2 | 178.8 | -176.7 | 27.1 | 0 | 0 | 0 | 113.3 | Y218 E223 S224 W225 | Y218-D221 PolarHBondContact O-N 3.33Å; D221-E223 PolarHBondContact O-N 2.9Å; D221-E223 VanDerWaalsContact O-N 3.13Å; D221-S224 PolarHBondContact O-N 3.22Å; D221-S224 PolarHBondContact O-OG 3.41Å; D221-S224 VanDerWaalsContact O-OG 3.07Å; D221-S224 VanDerWaalsContact OD2-CB 3.24Å; D221-S224 WeakPolarHBondContact OD2-CB 3.21Å; D221-S224 PolarHBondContact OD2-OG 2.97Å; D221-W225 PolarHBondContact O-NE1 3.24Å | ||
| 222 | P | 90.9 | Very high | 91 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 10% | 0.104 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -61.5 | -21.3 | -173.9 | -23.7 | 35.3 | 0 | 0 | 0 | 115.3 | L217 W225 V253 | L217-P222 HydrophobicContact CG-CG 4.14Å; P222-W225 HydrophobicContact CB-CD2 4.37Å; P222-W225 HydrophobicContact CB-CZ2 4.3Å; P222-W225 HydrophobicContact CG-CZ2 4.27Å; P222-W225 WeakPolarHBondContact O-CB 3.34Å; P222-W225 PolarHBondContact O-N 2.94Å; P222-V253 HydrophobicContact CB-CG1 3.57Å; P222-V253 HydrophobicContact CB-CG2 4.32Å; P222-V253 HydrophobicContact CG-CG1 4.43Å; P222-V253 HydrophobicContact CG-CG2 4.4Å |
| 223 | E | 88.6 | Confident | 91.4 | Very high | 133 Ų | 133 | 31.2 Ų | 31.2 | 62% | 0.621 | 16% | 0.156 | S | C | * | . | G | 310 helix | trans | -67.7 | -38.8 | 179.4 | -64.3 | 177.9 | -167.7 | 0 | 0 | 111.2 | D221 W225 R257 | D221-E223 PolarHBondContact O-N 2.9Å; D221-E223 VanDerWaalsContact O-N 3.13Å; E223-W225 VanDerWaalsContact C-N 3.26Å; E223-W225 PolarHBondContact O-N 3.3Å; E223-R257 PolarHBondContact O-NH1 3.1Å |
| 224 | S | 91 | Very high | 91.7 | Very high | 48 Ų | 48 | 30.8 Ų | 30.8 | 34% | 0.336 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -82 | 1.8 | -179.4 | 64.9 | 0 | 0 | 0 | 0 | 114.4 | S193 D221 | S193-S224 VanDerWaalsContact CA-O 3.32Å; S193-S224 WeakPolarHBondContact CA-O 3.43Å; S193-S224 VanDerWaalsContact CB-O 3.29Å; S193-S224 WeakPolarHBondContact CB-O 3.1Å; D221-S224 PolarHBondContact O-N 3.22Å; D221-S224 PolarHBondContact O-OG 3.41Å; D221-S224 VanDerWaalsContact O-OG 3.07Å; D221-S224 VanDerWaalsContact OD2-CB 3.24Å; D221-S224 WeakPolarHBondContact OD2-CB 3.21Å; D221-S224 PolarHBondContact OD2-OG 2.97Å |
| 225 | W | 94.1 | Very high | 92 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 1% | 0.011 | 16% | 0.164 | C | C | . | . | trans | -67.3 | 145.6 | 179.3 | -70.3 | 7.1 | 0 | 0 | 0 | 112.4 | L192 F204 L217 T220 D221 P222 E223 A229 M230 A233 R257 | L192-W225 HydrophobicContact CB-CG 4.17Å; L192-W225 HydrophobicContact CD1-CD2 4.29Å; L192-W225 HydrophobicContact CD1-CZ2 3.81Å; F204-W225 AromaticContact CE2-CH2 3.62Å; F204-W225 HydrophobicContact CE2-CH2 3.62Å; F204-W225 AromaticContact CE2-CZ2 3.62Å; F204-W225 HydrophobicContact CE2-CZ2 3.62Å; F204-W225 AromaticContact CZ-CH2 3.6Å; F204-W225 HydrophobicContact CZ-CH2 3.6Å; F204-W225 HydrophobicContact CZ-CZ2 4.05Å; F204-W225 HydrophobicContact CZ-CZ3 4.17Å; L217-W225 HydrophobicContact CD1-CH2 3.54Å; L217-W225 HydrophobicContact CD1-CZ2 3.85Å; T220-W225 PolarHBondContact O-NE1 2.89Å; T220-W225 WeakPolarHBondContact OG1-CZ2 3.21Å; D221-W225 PolarHBondContact O-NE1 3.24Å; P222-W225 HydrophobicContact CB-CD2 4.37Å; P222-W225 HydrophobicContact CB-CZ2 4.3Å; P222-W225 HydrophobicContact CG-CZ2 4.27Å; P222-W225 WeakPolarHBondContact O-CB 3.34Å; P222-W225 PolarHBondContact O-N 2.94Å; E223-W225 VanDerWaalsContact C-N 3.26Å; E223-W225 PolarHBondContact O-N 3.3Å; W225-A229 HydrophobicContact CB-CB 4.25Å; W225-M230 HydrophobicContact CB-CG 4.2Å; W225-M230 HydrophobicContact CB-SD 4.41Å; W225-M230 HydrophobicContact CD2-SD 4.38Å; W225-M230 HydrophobicContact CE3-CG 4.24Å; W225-M230 HydrophobicContact CE3-SD 3.42Å; W225-M230 HydrophobicContact CZ3-SD 3.99Å; W225-A233 HydrophobicContact CE3-CB 4.13Å; W225-A233 HydrophobicContact CH2-CB 4.09Å; W225-A233 HydrophobicContact CZ3-CB 3.41Å; W225-A233 VanDerWaalsContact CZ3-CB 3.41Å; W225-R257 VanDerWaalsContact O-CZ 3.28Å; W225-R257 PolarHBondContact O-NH1 2.94Å; W225-R257 PolarHBondContact O-NH2 3.33Å | ||
| 226 | T | 94.4 | Very high | 92.3 | Very high | 29 Ų | 29 | 31.2 Ų | 31.2 | 18% | 0.178 | 15% | 0.153 | C | C | . | . | trans | -69.1 | 154.9 | 167.9 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | L192 S193 Y195 A228 A229 M230 | L192-T226 PolarHBondContact O-N 3.32Å; L192-T226 PolarHBondContact O-OG1 2.78Å; L192-T226 VanDerWaalsContact O-OG1 3.12Å; S193-T226 WeakPolarHBondContact O-CG2 3.45Å; Y195-T226 WeakPolarHBondContact O-CB 2.79Å; Y195-T226 WeakPolarHBondContact O-CG2 3.26Å; Y195-T226 PolarHBondContact O-OG1 3.45Å; T226-A228 PolarHBondContact O-N 2.98Å; T226-A229 WeakPolarHBondContact O-CB 3.35Å; T226-A229 PolarHBondContact O-N 3.01Å; T226-A229 VanDerWaalsContact OG1-CB 3.26Å; T226-A229 WeakPolarHBondContact OG1-CB 3.22Å; T226-A229 PolarHBondContact OG1-N 3.03Å; T226-M230 PolarHBondContact O-N 2.83Å | ||
| 227 | A | 93.8 | Very high | 92.5 | Very high | 15 Ų | 15 | 31.1 Ų | 31.1 | 12% | 0.124 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.2 | -34.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M230 Y231 N269 H271 L272 | A227-M230 WeakPolarHBondContact O-CB 3.35Å; A227-M230 PolarHBondContact O-N 3.16Å; A227-Y231 PolarHBondContact O-N 3.44Å; A227-Y231 VanDerWaalsContact O-N 3.11Å; A227-N269 HydrophobicContact CB-CB 4.41Å; A227-H271 HydrophobicContact CB-CB 4.03Å; A227-H271 VanDerWaalsContact O-CB 3.25Å; A227-H271 WeakPolarHBondContact O-CB 3.28Å; A227-L272 HydrophobicContact CB-CG 4.34Å |
| 228 | A | 94.2 | Very high | 92.6 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 6% | 0.058 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.9 | -38.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y195 T226 Y231 Q232 | Y195-A228 HydrophobicContact CD1-CB 4.31Å; T226-A228 PolarHBondContact O-N 2.98Å; A228-Y231 PolarHBondContact O-N 3.47Å; A228-Q232 PolarHBondContact O-N 2.82Å |
| 229 | A | 95.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.7 | -44 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | L192 Y195 W225 T226 Y231 Q232 A233 | L192-A229 HydrophobicContact CB-CB 4.35Å; L192-A229 HydrophobicContact CD2-CB 4.06Å; Y195-A229 HydrophobicContact CD1-CB 3.93Å; Y195-A229 HydrophobicContact CG-CB 4.38Å; W225-A229 HydrophobicContact CB-CB 4.25Å; T226-A229 WeakPolarHBondContact O-CB 3.35Å; T226-A229 PolarHBondContact O-N 3.01Å; T226-A229 VanDerWaalsContact OG1-CB 3.26Å; T226-A229 WeakPolarHBondContact OG1-CB 3.22Å; T226-A229 PolarHBondContact OG1-N 3.03Å; A229-Y231 VanDerWaalsContact C-N 3.32Å; A229-Y231 PolarHBondContact O-N 2.96Å; A229-Q232 PolarHBondContact O-N 3.1Å; A229-A233 VanDerWaalsContact O-CB 3.3Å; A229-A233 WeakPolarHBondContact O-CB 3.28Å; A229-A233 PolarHBondContact O-N 3.35Å |
| 230 | M | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54.3 | -47 | 175.2 | -79.1 | -64.5 | -60.5 | 0 | 0 | 111.8 | W225 T226 A227 Q232 A233 T234 V253 L254 R257 L272 | W225-M230 HydrophobicContact CB-CG 4.2Å; W225-M230 HydrophobicContact CB-SD 4.41Å; W225-M230 HydrophobicContact CD2-SD 4.38Å; W225-M230 HydrophobicContact CE3-CG 4.24Å; W225-M230 HydrophobicContact CE3-SD 3.42Å; W225-M230 HydrophobicContact CZ3-SD 3.99Å; T226-M230 PolarHBondContact O-N 2.83Å; A227-M230 WeakPolarHBondContact O-CB 3.35Å; A227-M230 PolarHBondContact O-N 3.16Å; M230-Q232 PolarHBondContact O-N 3.05Å; M230-A233 PolarHBondContact O-N 3.3Å; M230-T234 WeakPolarHBondContact O-CB 3.49Å; M230-T234 PolarHBondContact O-N 3.28Å; M230-T234 PolarHBondContact O-OG1 3.01Å; M230-V253 HydrophobicContact CE-CG1 4.1Å; M230-V253 HydrophobicContact SD-CG1 4.18Å; M230-L254 HydrophobicContact CE-CB 4.44Å; M230-L254 HydrophobicContact CE-CD1 3.68Å; M230-R257 HydrophobicContact CE-CB 4.26Å; M230-R257 HydrophobicContact CE-CG 4.24Å; M230-R257 HydrophobicContact CG-CG 4.43Å; M230-L272 HydrophobicContact CB-CD2 3.8Å; M230-L272 HydrophobicContact CG-CD2 4.17Å |
| 231 | Y | 95.4 | Very high | 92.6 | Very high | 61 Ų | 61 | 33.7 Ų | 33.7 | 24% | 0.239 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.5 | -49.2 | 176.7 | 171.9 | -111 | 0 | 0 | 0 | 112.9 | A227 A228 A229 T234 R235 A275 K278 | A227-Y231 PolarHBondContact O-N 3.44Å; A227-Y231 VanDerWaalsContact O-N 3.11Å; A228-Y231 PolarHBondContact O-N 3.47Å; A229-Y231 VanDerWaalsContact C-N 3.32Å; A229-Y231 PolarHBondContact O-N 2.96Å; Y231-T234 PolarHBondContact O-N 2.89Å; Y231-R235 WeakPolarHBondContact O-CB 3.44Å; Y231-R235 PolarHBondContact O-N 3.25Å; Y231-A275 HydrophobicContact CD2-CB 4.26Å; Y231-K278 HydrophobicContact CE2-CB 4.41Å |
| 232 | Q | 94.3 | Very high | 92.7 | Very high | 29 Ų | 29 | 38 Ų | 38 | 14% | 0.136 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.8 | -33.3 | -177.7 | -65.5 | -168.1 | 20.3 | 0 | 0 | 112.7 | Y195 L200 A228 A229 M230 R235 I236 | Y195-Q232 VanDerWaalsContact CE1-CD 3.44Å; Y195-Q232 HydrophobicContact CE1-CG 4.25Å; Y195-Q232 VanDerWaalsContact CE1-NE2 3.31Å; Y195-Q232 PolarHBondContact OH-NE2 2.85Å; Y195-Q232 PolarHBondContact OH-OE1 3.49Å; L200-Q232 HydrophobicContact CD1-CB 3.54Å; L200-Q232 HydrophobicContact CG-CB 4.38Å; A228-Q232 PolarHBondContact O-N 2.82Å; A229-Q232 PolarHBondContact O-N 3.1Å; M230-Q232 PolarHBondContact O-N 3.05Å; Q232-R235 WeakPolarHBondContact O-CB 3.41Å; Q232-R235 PolarHBondContact O-N 3.34Å; Q232-I236 WeakPolarHBondContact O-CG1 3.41Å; Q232-I236 PolarHBondContact O-N 3.39Å; Q232-I236 VanDerWaalsContact O-N 3.07Å |
| 233 | A | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.1 | -60.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | F204 W225 A229 M230 R235 I236 F237 F249 | F204-A233 HydrophobicContact CE1-CB 3.96Å; F204-A233 HydrophobicContact CZ-CB 3.67Å; W225-A233 HydrophobicContact CE3-CB 4.13Å; W225-A233 HydrophobicContact CH2-CB 4.09Å; W225-A233 HydrophobicContact CZ3-CB 3.41Å; W225-A233 VanDerWaalsContact CZ3-CB 3.41Å; A229-A233 VanDerWaalsContact O-CB 3.3Å; A229-A233 WeakPolarHBondContact O-CB 3.28Å; A229-A233 PolarHBondContact O-N 3.35Å; M230-A233 PolarHBondContact O-N 3.3Å; A233-R235 PolarHBondContact O-N 3.21Å; A233-I236 PolarHBondContact O-N 2.94Å; A233-F237 HydrophobicContact CB-CD2 4.16Å; A233-F237 HydrophobicContact CB-CE2 4.32Å; A233-F237 WeakPolarHBondContact O-CD2 3.49Å; A233-F237 PolarHBondContact O-N 3.34Å; A233-F249 HydrophobicContact CB-CZ 4.49Å |
| 234 | T | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -52.6 | -37.9 | 179.3 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | M230 Y231 S238 Y250 L254 A275 A279 | M230-T234 WeakPolarHBondContact O-CB 3.49Å; M230-T234 PolarHBondContact O-N 3.28Å; M230-T234 PolarHBondContact O-OG1 3.01Å; Y231-T234 PolarHBondContact O-N 2.89Å; T234-S238 WeakPolarHBondContact O-CB 3.2Å; T234-S238 PolarHBondContact O-N 3.42Å; T234-S238 PolarHBondContact O-OG 2.97Å; T234-Y250 HydrophobicContact CG2-CE1 4.19Å; T234-L254 HydrophobicContact CG2-CD2 3.96Å; T234-A275 HydrophobicContact CG2-CB 4.3Å; T234-A275 VanDerWaalsContact CG2-O 3.3Å; T234-A275 WeakPolarHBondContact CG2-O 3.32Å; T234-A279 HydrophobicContact CG2-CB 3.81Å |
| 235 | R | 94.3 | Very high | 92.7 | Very high | 99 Ų | 99 | 44.4 Ų | 44.4 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.9 | -52 | 173.7 | -171.7 | 174.5 | 73.1 | 166.4 | 4.3 | 112.7 | Y231 Q232 A233 S238 S239 K278 | Y231-R235 WeakPolarHBondContact O-CB 3.44Å; Y231-R235 PolarHBondContact O-N 3.25Å; Q232-R235 WeakPolarHBondContact O-CB 3.41Å; Q232-R235 PolarHBondContact O-N 3.34Å; A233-R235 PolarHBondContact O-N 3.21Å; R235-S238 PolarHBondContact O-OG 3.31Å; R235-S239 PolarHBondContact O-N 3.06Å; R235-S239 PolarHBondContact O-OG 3.29Å; R235-K278 HydrophobicContact CB-CG 4.21Å; R235-K278 HydrophobicContact CG-CG 4.19Å |
| 236 | I | 92.7 | Very high | 92.6 | Very high | 20 Ų | 20 | 44.3 Ų | 44.3 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65 | -45 | 178.7 | -67.8 | 165.4 | 0 | 0 | 0 | 111 | L200 F204 K205 P208 Q232 A233 S239 N240 | L200-I236 HydrophobicContact CD1-CD1 3.48Å; L200-I236 VanDerWaalsContact CD1-CD1 3.48Å; F204-I236 HydrophobicContact CD1-CD1 4.22Å; F204-I236 HydrophobicContact CE1-CD1 4.28Å; K205-I236 HydrophobicContact CG-CD1 4.05Å; P208-I236 HydrophobicContact CG-CG2 3.83Å; Q232-I236 WeakPolarHBondContact O-CG1 3.41Å; Q232-I236 PolarHBondContact O-N 3.39Å; Q232-I236 VanDerWaalsContact O-N 3.07Å; A233-I236 PolarHBondContact O-N 2.94Å; I236-S239 PolarHBondContact O-N 2.88Å; I236-S239 PolarHBondContact O-OG 3.04Å; I236-S239 VanDerWaalsContact O-OG 3.06Å; I236-N240 WeakPolarHBondContact O-CB 3.11Å; I236-N240 PolarHBondContact O-N 2.88Å |
| 237 | F | 92.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.3 | -38.2 | -176.6 | -78.9 | -94.2 | 0 | 0 | 0 | 110.9 | F204 I207 P208 W213 L217 A233 S239 L241 F249 | F204-F237 HydrophobicContact CE1-CE2 4.12Å; F204-F237 HydrophobicContact CE2-CE2 4.45Å; F204-F237 AromaticContact CZ-CE2 3.77Å; F204-F237 HydrophobicContact CZ-CE2 3.77Å; I207-F237 HydrophobicContact CB-CZ 4.15Å; I207-F237 HydrophobicContact CG2-CE1 4.02Å; I207-F237 HydrophobicContact CG2-CZ 3.76Å; P208-F237 HydrophobicContact CG-CD1 4.47Å; P208-F237 HydrophobicContact CG-CE1 4.42Å; W213-F237 HydrophobicContact CE3-CE1 4.03Å; W213-F237 HydrophobicContact CZ3-CE1 4.3Å; L217-F237 HydrophobicContact CD1-CE1 4.42Å; L217-F237 HydrophobicContact CD1-CE2 4.32Å; L217-F237 HydrophobicContact CD1-CZ 3.73Å; L217-F237 HydrophobicContact CD2-CE1 4.46Å; A233-F237 HydrophobicContact CB-CD2 4.16Å; A233-F237 HydrophobicContact CB-CE2 4.32Å; A233-F237 WeakPolarHBondContact O-CD2 3.49Å; A233-F237 PolarHBondContact O-N 3.34Å; F237-S239 VanDerWaalsContact C-N 3.32Å; F237-S239 PolarHBondContact O-N 3.16Å; F237-L241 VanDerWaalsContact CA-CD1 3.46Å; F237-L241 HydrophobicContact CB-CD1 3.77Å; F237-L241 HydrophobicContact CD1-CD1 3.2Å; F237-L241 HydrophobicContact CD1-CD2 3.67Å; F237-L241 HydrophobicContact CD1-CG 4.13Å; F237-L241 HydrophobicContact CE1-CD1 3.98Å; F237-L241 HydrophobicContact CE1-CD2 4.4Å; F237-L241 HydrophobicContact CG-CD1 3.77Å; F237-L241 VanDerWaalsContact O-CB 3.29Å; F237-L241 WeakPolarHBondContact O-CB 3.49Å; F237-L241 VanDerWaalsContact O-CD1 3.31Å; F237-L241 WeakPolarHBondContact O-CD1 3.45Å; F237-L241 PolarHBondContact O-N 3.47Å; F237-L241 VanDerWaalsContact O-N 3.1Å; F237-F249 HydrophobicContact CB-CD1 3.93Å; F237-F249 HydrophobicContact CB-CE1 4Å; F237-F249 HydrophobicContact CB-CG 4.31Å; F237-F249 HydrophobicContact CB-CZ 4.41Å; F237-F249 HydrophobicContact CD1-CD2 4.07Å; F237-F249 HydrophobicContact CD1-CE2 4.43Å; F237-F249 HydrophobicContact CD1-CG 4.18Å; F237-F249 HydrophobicContact CD2-CE2 4.21Å; F237-F249 HydrophobicContact CD2-CZ 4.23Å; F237-F249 HydrophobicContact CE1-CD2 4.46Å; F237-F249 HydrophobicContact CG-CD1 4.33Å; F237-F249 HydrophobicContact CG-CD2 4.23Å; F237-F249 HydrophobicContact CG-CE1 4.34Å; F237-F249 HydrophobicContact CG-CE2 4.22Å; F237-F249 HydrophobicContact CG-CG 4.29Å; F237-F249 HydrophobicContact CG-CZ 4.29Å |
| 238 | S | 91.5 | Very high | 92.5 | Very high | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.028 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.1 | -29.5 | 176.8 | 69.7 | 0 | 0 | 0 | 0 | 113.7 | T234 R235 Y250 K282 | T234-S238 WeakPolarHBondContact O-CB 3.2Å; T234-S238 PolarHBondContact O-N 3.42Å; T234-S238 PolarHBondContact O-OG 2.97Å; R235-S238 PolarHBondContact O-OG 3.31Å; S238-Y250 WeakPolarHBondContact CB-OH 3.28Å; S238-K282 VanDerWaalsContact O-CD 3.26Å; S238-K282 WeakPolarHBondContact O-CD 3.26Å; S238-K282 WeakPolarHBondContact O-CE 3.47Å |
| 239 | S | 89.3 | Confident | 92.5 | Very high | 74 Ų | 74 | 50.8 Ų | 50.8 | 52% | 0.517 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -86.2 | -42.2 | 179 | 62.2 | 0 | 0 | 0 | 0 | 112.2 | R235 I236 F237 | R235-S239 PolarHBondContact O-N 3.06Å; R235-S239 PolarHBondContact O-OG 3.29Å; I236-S239 PolarHBondContact O-N 2.88Å; I236-S239 PolarHBondContact O-OG 3.04Å; I236-S239 VanDerWaalsContact O-OG 3.06Å; F237-S239 VanDerWaalsContact C-N 3.32Å; F237-S239 PolarHBondContact O-N 3.16Å |
| 240 | N | 89.9 | Confident | 92.4 | Very high | 98 Ų | 98 | 50.7 Ų | 50.7 | 52% | 0.524 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -97.4 | -20.8 | -165.6 | -64.3 | -1.9 | 0 | 0 | 0 | 113.5 | P208 I236 | P208-N240 HydrophobicContact CB-CB 3.57Å; P208-N240 HydrophobicContact CG-CB 3.91Å; I236-N240 WeakPolarHBondContact O-CB 3.11Å; I236-N240 PolarHBondContact O-N 2.88Å |
| 241 | L | 89.3 | Confident | 92.3 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -83 | 149.2 | 179.5 | -82.6 | 75.5 | 0 | 0 | 0 | 111.8 | P208 W213 F237 M245 A246 K282 | P208-L241 HydrophobicContact CB-CD1 3.44Å; P208-L241 VanDerWaalsContact CB-CD1 3.44Å; P208-L241 HydrophobicContact CB-CG 4.35Å; P208-L241 HydrophobicContact CG-CD1 3.57Å; W213-L241 HydrophobicContact CD2-CD2 4.45Å; W213-L241 HydrophobicContact CE3-CD2 4.4Å; W213-L241 HydrophobicContact CH2-CD2 4.19Å; W213-L241 HydrophobicContact CZ2-CD2 4.23Å; W213-L241 HydrophobicContact CZ3-CD2 4.27Å; F237-L241 VanDerWaalsContact CA-CD1 3.46Å; F237-L241 HydrophobicContact CB-CD1 3.77Å; F237-L241 HydrophobicContact CD1-CD1 3.2Å; F237-L241 HydrophobicContact CD1-CD2 3.67Å; F237-L241 HydrophobicContact CD1-CG 4.13Å; F237-L241 HydrophobicContact CE1-CD1 3.98Å; F237-L241 HydrophobicContact CE1-CD2 4.4Å; F237-L241 HydrophobicContact CG-CD1 3.77Å; F237-L241 VanDerWaalsContact O-CB 3.29Å; F237-L241 WeakPolarHBondContact O-CB 3.49Å; F237-L241 VanDerWaalsContact O-CD1 3.31Å; F237-L241 WeakPolarHBondContact O-CD1 3.45Å; F237-L241 PolarHBondContact O-N 3.47Å; F237-L241 VanDerWaalsContact O-N 3.1Å; L241-M245 HydrophobicContact CB-CB 4.15Å; L241-M245 HydrophobicContact CD2-CB 3.64Å; L241-M245 HydrophobicContact CG-CB 4.09Å; L241-A246 HydrophobicContact CB-CB 4.09Å; L241-K282 WeakPolarHBondContact O-CE 3.46Å; L241-K282 PolarHBondContact O-NZ 3.37Å |
| 242 | K | 91.3 | Very high | 92 | Very high | 156 Ų | 156 | 51.8 Ų | 51.8 | 68% | 0.678 | 24% | 0.237 | S | C | * | . | trans | -64.1 | 152.3 | 162.9 | -62.5 | -178.2 | -179.1 | 179.9 | 0 | 109.8 | R244 M245 A246 | K242-R244 VanDerWaalsContact C-N 3.33Å; K242-R244 PolarHBondContact O-N 3.4Å; K242-M245 HydrophobicContact CB-CG 4.46Å; K242-M245 HydrophobicContact CB-SD 4.39Å; K242-M245 PolarHBondContact O-N 2.89Å; K242-A246 PolarHBondContact O-N 3.43Å | ||
| 243 | E | 89.4 | Confident | 91.9 | Very high | 74 Ų | 74 | 50.9 Ų | 50.9 | 35% | 0.346 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -54 | -45.7 | -174.1 | -167.8 | -174.3 | 157 | 0 | 0 | 113.2 | M245 A246 Q247 G284 A285 | E243-M245 VanDerWaalsContact C-N 3.32Å; E243-M245 PolarHBondContact O-N 3.36Å; E243-A246 PolarHBondContact O-N 3.35Å; E243-Q247 WeakPolarHBondContact O-CB 3.47Å; E243-Q247 PolarHBondContact O-N 3.38Å; E243-G284 VanDerWaalsContact OE1-C 3.26Å; E243-G284 WeakPolarHBondContact OE1-CA 3.45Å; E243-A285 HydrophobicContact CG-CB 3.79Å; E243-A285 PolarHBondContact OE1-N 3.37Å |
| 244 | R | 90.7 | Very high | 91.9 | Very high | 198 Ų | 198 | 50.9 Ų | 50.9 | 75% | 0.747 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -61.6 | -37.9 | 177 | -67.2 | -170.1 | -178.1 | -177.9 | 1.7 | 113.1 | K242 R248 | K242-R244 VanDerWaalsContact C-N 3.33Å; K242-R244 PolarHBondContact O-N 3.4Å; R244-R248 WeakPolarHBondContact O-CG 3.48Å; R244-R248 PolarHBondContact O-N 3.19Å |
| 245 | M | 90.4 | Very high | 91.8 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 30% | 0.3 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -74.4 | -40.1 | 179.2 | -60.3 | 175.8 | 164.8 | 0 | 0 | 110.6 | W213 L241 K242 E243 Q247 R248 F249 | W213-M245 HydrophobicContact CZ2-CB 3.91Å; L241-M245 HydrophobicContact CB-CB 4.15Å; L241-M245 HydrophobicContact CD2-CB 3.64Å; L241-M245 HydrophobicContact CG-CB 4.09Å; K242-M245 HydrophobicContact CB-CG 4.46Å; K242-M245 HydrophobicContact CB-SD 4.39Å; K242-M245 PolarHBondContact O-N 2.89Å; E243-M245 VanDerWaalsContact C-N 3.32Å; E243-M245 PolarHBondContact O-N 3.36Å; M245-Q247 VanDerWaalsContact C-N 3.32Å; M245-Q247 PolarHBondContact O-N 2.89Å; M245-R248 PolarHBondContact O-N 3.45Å; M245-F249 PolarHBondContact O-N 3.36Å |
| 246 | A | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L241 K242 E243 R248 F249 Y250 K282 A285 | L241-A246 HydrophobicContact CB-CB 4.09Å; K242-A246 PolarHBondContact O-N 3.43Å; E243-A246 PolarHBondContact O-N 3.35Å; A246-R248 VanDerWaalsContact C-N 3.33Å; A246-R248 PolarHBondContact O-N 3.31Å; A246-F249 PolarHBondContact O-N 3.24Å; A246-Y250 HydrophobicContact CB-CE2 4.36Å; A246-Y250 WeakPolarHBondContact O-CD2 3.25Å; A246-Y250 PolarHBondContact O-N 3.48Å; A246-K282 HydrophobicContact CB-CD 4.35Å; A246-A285 HydrophobicContact CB-CB 4.02Å |
| 247 | Q | 93.2 | Very high | 91.7 | Very high | 61 Ų | 61 | 49.7 Ų | 49.7 | 29% | 0.285 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.5 | -46.5 | 173.2 | -176.7 | -166.1 | -24.8 | 0 | 0 | 111.4 | E243 M245 Y250 N251 A285 K288 | E243-Q247 WeakPolarHBondContact O-CB 3.47Å; E243-Q247 PolarHBondContact O-N 3.38Å; M245-Q247 VanDerWaalsContact C-N 3.32Å; M245-Q247 PolarHBondContact O-N 2.89Å; Q247-Y250 PolarHBondContact O-N 3.25Å; Q247-N251 WeakPolarHBondContact O-CB 3.28Å; Q247-N251 PolarHBondContact O-N 2.82Å; Q247-A285 HydrophobicContact CB-CB 4.25Å; Q247-K288 HydrophobicContact CG-CB 3.95Å |
| 248 | R | 91.7 | Very high | 91.6 | Very high | 125 Ų | 125 | 49.8 Ų | 49.8 | 47% | 0.472 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.1 | -44.7 | 177.4 | -68.8 | -173.4 | 81 | -173.5 | -1.4 | 111.5 | W213 E214 R244 M245 A246 Y250 N251 L252 | W213-R248 HydrophobicContact CH2-CB 4.26Å; W213-R248 HydrophobicContact CZ2-CB 4.28Å; E214-R248 VanDerWaalsContact CD-NH1 3.28Å; E214-R248 WeakPolarHBondContact OE1-CD 3.29Å; E214-R248 IonicContact OE1-CZ 3.32Å; E214-R248 IonicContact OE1-NE 3.69Å; E214-R248 PolarHBondContact OE1-NE 2.98Å; E214-R248 IonicContact OE1-NH1 3.52Å; E214-R248 PolarHBondContact OE1-NH1 3.17Å; E214-R248 IonicContact OE1-NH2 3.67Å; E214-R248 PolarHBondContact OE1-NH2 2.86Å; E214-R248 IonicContact OE2-CZ 2.72Å; E214-R248 IonicContact OE2-NE 3.83Å; E214-R248 IonicContact OE2-NH1 3.19Å; E214-R248 PolarHBondContact OE2-NH1 3.27Å; E214-R248 VanDerWaalsContact OE2-NH1 3.16Å; E214-R248 IonicContact OE2-NH2 2.94Å; E214-R248 PolarHBondContact OE2-NH2 3.31Å; R244-R248 WeakPolarHBondContact O-CG 3.48Å; R244-R248 PolarHBondContact O-N 3.19Å; M245-R248 PolarHBondContact O-N 3.45Å; A246-R248 VanDerWaalsContact C-N 3.33Å; A246-R248 PolarHBondContact O-N 3.31Å; R248-Y250 VanDerWaalsContact C-N 3.33Å; R248-Y250 PolarHBondContact O-N 2.93Å; R248-N251 PolarHBondContact O-N 3.26Å; R248-L252 HydrophobicContact CB-CD1 4.28Å; R248-L252 WeakPolarHBondContact O-CB 3.45Å; R248-L252 WeakPolarHBondContact O-CD1 3.47Å; R248-L252 VanDerWaalsContact O-CG 3.3Å; R248-L252 WeakPolarHBondContact O-CG 3.43Å; R248-L252 PolarHBondContact O-N 3.39Å |
| 249 | F | 93.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.9 | -43.3 | 175 | 172.1 | -102.5 | 0 | 0 | 0 | 112.2 | W213 L217 A233 F237 M245 A246 V253 L254 | W213-F249 HydrophobicContact CH2-CB 4Å; W213-F249 HydrophobicContact CZ3-CB 4.14Å; L217-F249 HydrophobicContact CD2-CD2 3.85Å; L217-F249 HydrophobicContact CD2-CE2 4.23Å; A233-F249 HydrophobicContact CB-CZ 4.49Å; F237-F249 HydrophobicContact CB-CD1 3.93Å; F237-F249 HydrophobicContact CB-CE1 4Å; F237-F249 HydrophobicContact CB-CG 4.31Å; F237-F249 HydrophobicContact CB-CZ 4.41Å; F237-F249 HydrophobicContact CD1-CD2 4.07Å; F237-F249 HydrophobicContact CD1-CE2 4.43Å; F237-F249 HydrophobicContact CD1-CG 4.18Å; F237-F249 HydrophobicContact CD2-CE2 4.21Å; F237-F249 HydrophobicContact CD2-CZ 4.23Å; F237-F249 HydrophobicContact CE1-CD2 4.46Å; F237-F249 HydrophobicContact CG-CD1 4.33Å; F237-F249 HydrophobicContact CG-CD2 4.23Å; F237-F249 HydrophobicContact CG-CE1 4.34Å; F237-F249 HydrophobicContact CG-CE2 4.22Å; F237-F249 HydrophobicContact CG-CG 4.29Å; F237-F249 HydrophobicContact CG-CZ 4.29Å; M245-F249 PolarHBondContact O-N 3.36Å; A246-F249 PolarHBondContact O-N 3.24Å; F249-V253 HydrophobicContact CD2-CB 4.07Å; F249-V253 HydrophobicContact CD2-CG2 4.1Å; F249-V253 HydrophobicContact CE2-CB 3.93Å; F249-V253 HydrophobicContact CE2-CG1 3.95Å; F249-V253 HydrophobicContact CE2-CG2 4.26Å; F249-V253 HydrophobicContact CZ-CG1 4.46Å; F249-V253 WeakPolarHBondContact O-CB 3.22Å; F249-V253 PolarHBondContact O-N 2.93Å; F249-L254 PolarHBondContact O-N 2.83Å |
| 250 | Y | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -64.9 | -44.1 | 178.2 | -62.4 | -22.8 | 0 | 0 | 0 | 112.4 | T234 S238 A246 Q247 R248 L254 L255 A279 A285 I290 | T234-Y250 HydrophobicContact CG2-CE1 4.19Å; S238-Y250 WeakPolarHBondContact CB-OH 3.28Å; A246-Y250 HydrophobicContact CB-CE2 4.36Å; A246-Y250 WeakPolarHBondContact O-CD2 3.25Å; A246-Y250 PolarHBondContact O-N 3.48Å; Q247-Y250 PolarHBondContact O-N 3.25Å; R248-Y250 VanDerWaalsContact C-N 3.33Å; R248-Y250 PolarHBondContact O-N 2.93Å; Y250-L254 HydrophobicContact CD1-CB 4.45Å; Y250-L254 HydrophobicContact CD1-CD2 3.87Å; Y250-L254 HydrophobicContact CE1-CD2 4.34Å; Y250-L254 PolarHBondContact O-N 3.12Å; Y250-L255 WeakPolarHBondContact O-CB 3.27Å; Y250-L255 PolarHBondContact O-N 2.9Å; Y250-A279 HydrophobicContact CD1-CB 4.29Å; Y250-A279 HydrophobicContact CE1-CB 3.66Å; Y250-A279 HydrophobicContact CE2-CB 4.11Å; Y250-A279 VanDerWaalsContact OH-CA 3.31Å; Y250-A279 WeakPolarHBondContact OH-CA 3.35Å; Y250-A279 PolarHBondContact OH-O 3.21Å; Y250-A285 HydrophobicContact CD2-CB 4.1Å; Y250-A285 HydrophobicContact CE2-CB 3.77Å; Y250-I290 HydrophobicContact CD2-CD1 4.42Å; Y250-I290 HydrophobicContact CD2-CG1 4.39Å; Y250-I290 HydrophobicContact CG-CD1 4.2Å; Y250-I290 HydrophobicContact CG-CG1 4.23Å |
| 251 | N | 92 | Very high | 91.7 | Very high | 61 Ų | 61 | 46.7 Ų | 46.7 | 33% | 0.326 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -68.9 | -39 | -178.2 | -173.4 | -94.8 | 0 | 0 | 0 | 112.7 | Q247 R248 P256 G289 P293 | Q247-N251 WeakPolarHBondContact O-CB 3.28Å; Q247-N251 PolarHBondContact O-N 2.82Å; R248-N251 PolarHBondContact O-N 3.26Å; N251-P256 WeakPolarHBondContact O-CD 3.07Å; N251-G289 WeakPolarHBondContact CA-O 3.49Å; N251-P293 WeakPolarHBondContact ND2-CB 3.34Å; N251-P293 WeakPolarHBondContact ND2-CG 3.4Å |
| 252 | L | 89.7 | Confident | 91.7 | Very high | 22 Ų | 22 | 46.8 Ų | 46.8 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -93 | -25.5 | -170.2 | -69.1 | 169.5 | 0 | 0 | 0 | 114.4 | L147 I150 R248 | L147-L252 HydrophobicContact CB-CB 4.12Å; L147-L252 HydrophobicContact CB-CD2 4.09Å; L147-L252 HydrophobicContact CB-CG 4.5Å; L147-L252 HydrophobicContact CD1-CD1 3.67Å; L147-L252 HydrophobicContact CD1-CD2 4.12Å; L147-L252 HydrophobicContact CD1-CG 4.34Å; L147-L252 HydrophobicContact CD2-CB 4.33Å; L147-L252 HydrophobicContact CD2-CD1 4.37Å; L147-L252 HydrophobicContact CG-CD1 4.43Å; I150-L252 HydrophobicContact CD1-CD2 3.9Å; R248-L252 HydrophobicContact CB-CD1 4.28Å; R248-L252 WeakPolarHBondContact O-CB 3.45Å; R248-L252 WeakPolarHBondContact O-CD1 3.47Å; R248-L252 VanDerWaalsContact O-CG 3.3Å; R248-L252 WeakPolarHBondContact O-CG 3.43Å; R248-L252 PolarHBondContact O-N 3.39Å |
| 253 | V | 92.8 | Very high | 91.6 | Very high | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.067 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -122.6 | -56.4 | -173 | -176.6 | 0 | 0 | 0 | 0 | 111.5 | L217 P222 M230 F249 R257 | L217-V253 HydrophobicContact CD2-CG2 4.14Å; P222-V253 HydrophobicContact CB-CG1 3.57Å; P222-V253 HydrophobicContact CB-CG2 4.32Å; P222-V253 HydrophobicContact CG-CG1 4.43Å; P222-V253 HydrophobicContact CG-CG2 4.4Å; M230-V253 HydrophobicContact CE-CG1 4.1Å; M230-V253 HydrophobicContact SD-CG1 4.18Å; F249-V253 HydrophobicContact CD2-CB 4.07Å; F249-V253 HydrophobicContact CD2-CG2 4.1Å; F249-V253 HydrophobicContact CE2-CB 3.93Å; F249-V253 HydrophobicContact CE2-CG1 3.95Å; F249-V253 HydrophobicContact CE2-CG2 4.26Å; F249-V253 HydrophobicContact CZ-CG1 4.46Å; F249-V253 WeakPolarHBondContact O-CB 3.22Å; F249-V253 PolarHBondContact O-N 2.93Å; V253-R257 WeakPolarHBondContact O-CB 3.4Å; V253-R257 PolarHBondContact O-N 3.26Å |
| 254 | L | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -71.2 | -45.8 | -173 | -175.4 | 61.5 | 0 | 0 | 0 | 112.5 | M230 T234 F249 Y250 R257 V258 A275 L276 A279 I290 | M230-L254 HydrophobicContact CE-CB 4.44Å; M230-L254 HydrophobicContact CE-CD1 3.68Å; T234-L254 HydrophobicContact CG2-CD2 3.96Å; F249-L254 PolarHBondContact O-N 2.83Å; Y250-L254 HydrophobicContact CD1-CB 4.45Å; Y250-L254 HydrophobicContact CD1-CD2 3.87Å; Y250-L254 HydrophobicContact CE1-CD2 4.34Å; Y250-L254 PolarHBondContact O-N 3.12Å; L254-R257 PolarHBondContact O-N 3.34Å; L254-V258 HydrophobicContact CD1-CG2 4.26Å; L254-V258 VanDerWaalsContact O-CG2 3.3Å; L254-V258 WeakPolarHBondContact O-CG2 3.33Å; L254-V258 PolarHBondContact O-N 3.12Å; L254-A275 HydrophobicContact CD1-CB 4.14Å; L254-L276 HydrophobicContact CD2-CD2 4.11Å; L254-L276 HydrophobicContact CG-CD2 4.3Å; L254-A279 HydrophobicContact CD2-CB 4Å; L254-I290 HydrophobicContact CD2-CD1 3.95Å |
| 255 | L | 92.8 | Very high | 91.5 | Very high | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.068 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.8 | -51.8 | -176.6 | 175.2 | 66.3 | 0 | 0 | 0 | 111.8 | Y250 R257 V258 R259 I290 P293 L294 | Y250-L255 WeakPolarHBondContact O-CB 3.27Å; Y250-L255 PolarHBondContact O-N 2.9Å; L255-R257 VanDerWaalsContact C-N 3.32Å; L255-R257 PolarHBondContact O-N 3.34Å; L255-V258 PolarHBondContact O-N 3.16Å; L255-R259 HydrophobicContact CD1-CG 4.27Å; L255-R259 WeakPolarHBondContact O-CG 3.35Å; L255-R259 PolarHBondContact O-N 3.44Å; L255-R259 VanDerWaalsContact O-N 3.16Å; L255-I290 HydrophobicContact CD1-CG2 4.08Å; L255-P293 HydrophobicContact CD2-CB 4.12Å; L255-L294 HydrophobicContact CD1-CB 4.37Å; L255-L294 HydrophobicContact CD1-CD1 4.19Å |
| 256 | P | 92.1 | Very high | 91.3 | Very high | 35 Ų | 35 | 46 Ų | 46 | 23% | 0.227 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.7 | -46.4 | 177.4 | -25.2 | 35.6 | 0 | 0 | 0 | 111.8 | N251 V258 R259 D260 | N251-P256 WeakPolarHBondContact O-CD 3.07Å; P256-V258 VanDerWaalsContact C-N 3.33Å; P256-V258 PolarHBondContact O-N 3.5Å; P256-R259 WeakPolarHBondContact O-CB 3.49Å; P256-R259 PolarHBondContact O-N 3.47Å; P256-D260 VanDerWaalsContact O-CG 3.26Å; P256-D260 PolarHBondContact O-N 3.39Å |
| 257 | R | 92.1 | Very high | 91 | Very high | 46 Ų | 46 | 55 Ų | 55 | 17% | 0.174 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.9 | -40.2 | -179.4 | -178 | 54.6 | 178 | -84.7 | 4 | 113.6 | E223 W225 M230 V253 L254 L255 R259 D261 L272 | E223-R257 PolarHBondContact O-NH1 3.1Å; W225-R257 VanDerWaalsContact O-CZ 3.28Å; W225-R257 PolarHBondContact O-NH1 2.94Å; W225-R257 PolarHBondContact O-NH2 3.33Å; M230-R257 HydrophobicContact CE-CB 4.26Å; M230-R257 HydrophobicContact CE-CG 4.24Å; M230-R257 HydrophobicContact CG-CG 4.43Å; V253-R257 WeakPolarHBondContact O-CB 3.4Å; V253-R257 PolarHBondContact O-N 3.26Å; L254-R257 PolarHBondContact O-N 3.34Å; L255-R257 VanDerWaalsContact C-N 3.32Å; L255-R257 PolarHBondContact O-N 3.34Å; R257-R259 VanDerWaalsContact C-N 3.33Å; R257-D261 IonicContact NE-OD1 3.32Å; R257-D261 PolarHBondContact NE-OD1 2.89Å; R257-D261 PolarHBondContact O-N 2.98Å; R257-L272 HydrophobicContact CG-CD1 4.38Å; R257-L272 HydrophobicContact CG-CD2 4.18Å |
| 258 | V | 91.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 176.2 | 165.2 | 0 | 0 | 0 | 0 | 111 | L254 L255 P256 I262 L268 L276 | L254-V258 HydrophobicContact CD1-CG2 4.26Å; L254-V258 VanDerWaalsContact O-CG2 3.3Å; L254-V258 WeakPolarHBondContact O-CG2 3.33Å; L254-V258 PolarHBondContact O-N 3.12Å; L255-V258 PolarHBondContact O-N 3.16Å; P256-V258 VanDerWaalsContact C-N 3.33Å; P256-V258 PolarHBondContact O-N 3.5Å; V258-I262 HydrophobicContact CG1-CD1 3.74Å; V258-I262 WeakPolarHBondContact O-CD1 3.05Å; V258-I262 WeakPolarHBondContact O-CG1 3.04Å; V258-I262 PolarHBondContact O-N 3.39Å; V258-I262 VanDerWaalsContact O-N 3.12Å; V258-L268 HydrophobicContact CG1-CD1 4.07Å; V258-L268 HydrophobicContact CG1-CD2 4.44Å; V258-L276 HydrophobicContact CG1-CD1 3.98Å; V258-L276 HydrophobicContact CG2-CD1 3.94Å; V258-L276 HydrophobicContact CG2-CD2 4.12Å; V258-L276 HydrophobicContact CG2-CG 4.04Å |
| 259 | R | 90.6 | Very high | 90.9 | Very high | 11 Ų | 11 | 50.5 Ų | 50.5 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.2 | -40 | -179.4 | -63.8 | -171.7 | 76.2 | 162.9 | 7.2 | 112 | R144 L255 P256 R257 I262 A263 L294 S297 T299 E304 | R144-R259 VanDerWaalsContact NH2-NH2 3.16Å; L255-R259 HydrophobicContact CD1-CG 4.27Å; L255-R259 WeakPolarHBondContact O-CG 3.35Å; L255-R259 PolarHBondContact O-N 3.44Å; L255-R259 VanDerWaalsContact O-N 3.16Å; P256-R259 WeakPolarHBondContact O-CB 3.49Å; P256-R259 PolarHBondContact O-N 3.47Å; R257-R259 VanDerWaalsContact C-N 3.33Å; R259-I262 PolarHBondContact O-N 3.35Å; R259-A263 WeakPolarHBondContact O-CB 3.48Å; R259-A263 PolarHBondContact O-N 2.78Å; R259-L294 HydrophobicContact CG-CD1 4.35Å; R259-S297 PolarHBondContact NH1-OG 2.87Å; R259-S297 VanDerWaalsContact NH1-OG 3.12Å; R259-T299 VanDerWaalsContact CZ-OG1 3.27Å; R259-T299 PolarHBondContact NH1-OG1 2.83Å; R259-T299 VanDerWaalsContact NH2-C 3.29Å; R259-T299 PolarHBondContact NH2-O 3.37Å; R259-T299 PolarHBondContact NH2-OG1 3.16Å; R259-E304 WeakPolarHBondContact CB-OE1 3.3Å; R259-E304 WeakPolarHBondContact CG-OE1 3.39Å; R259-E304 IonicContact CZ-OE1 3.07Å; R259-E304 IonicContact CZ-OE2 2.74Å; R259-E304 IonicContact NE-OE1 3.16Å; R259-E304 PolarHBondContact NE-OE1 3.28Å; R259-E304 IonicContact NE-OE2 2.76Å; R259-E304 IonicContact NH2-OE1 3.49Å; R259-E304 PolarHBondContact NH2-OE1 2.63Å; R259-E304 IonicContact NH2-OE2 3.12Å; R259-E304 PolarHBondContact NH2-OE2 3.31Å |
| 260 | D | 90.7 | Very high | 90.9 | Very high | 82 Ų | 82 | 57 Ų | 57 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 178.4 | -61.7 | -22.7 | 0 | 0 | 0 | 111.1 | R144 P256 I262 A263 E264 | R144-D260 IonicContact NH1-OD1 3.87Å; P256-D260 VanDerWaalsContact O-CG 3.26Å; P256-D260 PolarHBondContact O-N 3.39Å; D260-I262 VanDerWaalsContact C-N 3.32Å; D260-I262 PolarHBondContact O-N 3.25Å; D260-A263 PolarHBondContact O-N 3.17Å; D260-E264 WeakPolarHBondContact O-CB 3.42Å; D260-E264 PolarHBondContact O-N 2.85Å |
| 261 | D | 90.8 | Very high | 90.9 | Very high | 18 Ų | 18 | 60.1 Ų | 60.1 | 10% | 0.096 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60 | -39.9 | 175.5 | -98.5 | 52.3 | 0 | 0 | 0 | 111.8 | R257 Y265 L268 L272 | R257-D261 IonicContact NE-OD1 3.32Å; R257-D261 PolarHBondContact NE-OD1 2.89Å; R257-D261 PolarHBondContact O-N 2.98Å; D261-Y265 WeakPolarHBondContact O-CB 3.43Å; D261-Y265 PolarHBondContact O-N 2.93Å; D261-L268 HydrophobicContact CB-CD1 4.34Å; D261-L272 HydrophobicContact CB-CD1 3.78Å; D261-L272 WeakPolarHBondContact OD2-CD1 3.27Å |
| 262 | I | 89.4 | Confident | 91 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.4 | -40.4 | 177.9 | -68.1 | 166.8 | 0 | 0 | 0 | 111.1 | V258 R259 D260 K266 L268 E304 I307 | V258-I262 HydrophobicContact CG1-CD1 3.74Å; V258-I262 WeakPolarHBondContact O-CD1 3.05Å; V258-I262 WeakPolarHBondContact O-CG1 3.04Å; V258-I262 PolarHBondContact O-N 3.39Å; V258-I262 VanDerWaalsContact O-N 3.12Å; R259-I262 PolarHBondContact O-N 3.35Å; D260-I262 VanDerWaalsContact C-N 3.32Å; D260-I262 PolarHBondContact O-N 3.25Å; I262-K266 WeakPolarHBondContact O-CA 3.49Å; I262-K266 PolarHBondContact O-N 2.89Å; I262-L268 HydrophobicContact CD1-CD1 4.33Å; I262-L268 HydrophobicContact CG1-CB 4.35Å; I262-L268 HydrophobicContact CG1-CD1 4.01Å; I262-E304 HydrophobicContact CB-CG 4.39Å; I262-E304 HydrophobicContact CD1-CG 4.04Å; I262-E304 HydrophobicContact CG2-CG 3.85Å; I262-I307 HydrophobicContact CD1-CD1 4.01Å; I262-I307 HydrophobicContact CG1-CD1 4.02Å; I262-I307 HydrophobicContact CG2-CD1 4.36Å |
| 263 | A | 88.9 | Confident | 91.2 | Very high | 76 Ų | 76 | 58.4 Ų | 58.4 | 63% | 0.628 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65.1 | -41 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R259 D260 | R259-A263 WeakPolarHBondContact O-CB 3.48Å; R259-A263 PolarHBondContact O-N 2.78Å; D260-A263 PolarHBondContact O-N 3.17Å |
| 264 | E | 90.4 | Very high | 91.2 | Very high | 127 Ų | 127 | 59 Ų | 59 | 59% | 0.593 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -76.5 | -52.5 | -178.1 | -170.5 | -178.1 | 162.3 | 0 | 0 | 112.4 | D260 | D260-E264 WeakPolarHBondContact O-CB 3.42Å; D260-E264 PolarHBondContact O-N 2.85Å |
| 265 | Y | 88.3 | Confident | 91.3 | Very high | 125 Ų | 125 | 59 Ų | 59 | 49% | 0.49 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -97.1 | -9.4 | -170.6 | -63.8 | -77.5 | 0 | 0 | 0 | 114.1 | D261 R267 | D261-Y265 WeakPolarHBondContact O-CB 3.43Å; D261-Y265 PolarHBondContact O-N 2.93Å; Y265-R267 PolarHBondContact O-N 2.96Å |
| 266 | K | 85.4 | Confident | 91.4 | Very high | 143 Ų | 143 | 58.4 Ų | 58.4 | 62% | 0.622 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 58.5 | 4.7 | -173 | -56.7 | 174.8 | -179.9 | 175.2 | 0 | 114.7 | I262 | I262-K266 WeakPolarHBondContact O-CA 3.49Å; I262-K266 PolarHBondContact O-N 2.89Å |
| 267 | R | 86.4 | Confident | 91.5 | Very high | 190 Ų | 190 | 62 Ų | 62 | 72% | 0.717 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -142.8 | 147.6 | 177.1 | 65.9 | -175.9 | 178.4 | 174.2 | -1.4 | 108.6 | Y265 | Y265-R267 PolarHBondContact O-N 2.96Š|
| 268 | L | 90.3 | Very high | 91.6 | Very high | 27 Ų | 27 | 61.4 Ų | 61.4 | 14% | 0.141 | 29% | 0.287 | C | S | . | . | trans | -88.3 | 136.6 | -178.9 | -171.2 | 63.1 | 0 | 0 | 0 | 111.5 | V258 D261 I262 L272 Y273 L276 I307 | V258-L268 HydrophobicContact CG1-CD1 4.07Å; V258-L268 HydrophobicContact CG1-CD2 4.44Å; D261-L268 HydrophobicContact CB-CD1 4.34Å; I262-L268 HydrophobicContact CD1-CD1 4.33Å; I262-L268 HydrophobicContact CG1-CB 4.35Å; I262-L268 HydrophobicContact CG1-CD1 4.01Å; L268-L272 HydrophobicContact CD1-CB 3.8Å; L268-L272 HydrophobicContact CD1-CD1 3.98Å; L268-L272 HydrophobicContact CG-CB 4.12Å; L268-Y273 HydrophobicContact CD2-CD2 4.19Å; L268-L276 HydrophobicContact CD2-CD1 3.76Å; L268-I307 HydrophobicContact CB-CD1 4.33Å; L268-I307 HydrophobicContact CB-CG2 3.94Å; L268-I307 HydrophobicContact CD2-CG2 3.61Å; L268-I307 HydrophobicContact CG-CG2 4.41Å | ||
| 269 | N | 93.4 | Very high | 91.7 | Very high | 64 Ų | 64 | 61.4 Ų | 61.4 | 34% | 0.342 | 29% | 0.287 | S | S | . | . | trans | -60 | 140.4 | 173.1 | -170.9 | -71.2 | 0 | 0 | 0 | 111.4 | A227 H271 L272 Y273 | A227-N269 HydrophobicContact CB-CB 4.41Å; N269-H271 VanDerWaalsContact C-N 3.29Å; N269-H271 PolarHBondContact O-N 3.41Å; N269-H271 PolarHBondContact OD1-N 3.04Å; N269-L272 HydrophobicContact CB-CB 4.37Å; N269-L272 HydrophobicContact CB-CD1 4.26Å; N269-L272 HydrophobicContact CB-CG 4.25Å; N269-L272 PolarHBondContact O-N 2.87Å; N269-L272 VanDerWaalsContact O-N 3.1Å; N269-Y273 PolarHBondContact O-N 2.99Å | ||
| 270 | F | 93.4 | Very high | 91.8 | Very high | 137 Ų | 137 | 61.5 Ų | 61.5 | 60% | 0.601 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -55.1 | -40.2 | 179.7 | 174.3 | -100.2 | 0 | 0 | 0 | 113.7 | Y273 S274 | F270-Y273 PolarHBondContact O-N 3.21Å; F270-S274 WeakPolarHBondContact O-CB 3.38Å; F270-S274 PolarHBondContact O-N 3.35Å; F270-S274 PolarHBondContact O-OG 2.85Å |
| 271 | H | 94 | Very high | 91.8 | Very high | 67 Ų | 67 | 64 Ų | 64 | 31% | 0.31 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.2 | -37.5 | 179.2 | -64.6 | -64.5 | 0 | 0 | 0 | 112 | A227 N269 S274 A275 | A227-H271 HydrophobicContact CB-CB 4.03Å; A227-H271 VanDerWaalsContact O-CB 3.25Å; A227-H271 WeakPolarHBondContact O-CB 3.28Å; N269-H271 VanDerWaalsContact C-N 3.29Å; N269-H271 PolarHBondContact O-N 3.41Å; N269-H271 PolarHBondContact OD1-N 3.04Å; H271-S274 PolarHBondContact O-N 2.73Å; H271-A275 WeakPolarHBondContact O-CB 3.33Å; H271-A275 PolarHBondContact O-N 2.97Å |
| 272 | L | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.5 | -39.8 | 175.4 | -68.8 | -179.1 | 0 | 0 | 0 | 111.7 | A227 M230 R257 D261 L268 N269 S274 A275 L276 | A227-L272 HydrophobicContact CB-CG 4.34Å; M230-L272 HydrophobicContact CB-CD2 3.8Å; M230-L272 HydrophobicContact CG-CD2 4.17Å; R257-L272 HydrophobicContact CG-CD1 4.38Å; R257-L272 HydrophobicContact CG-CD2 4.18Å; D261-L272 HydrophobicContact CB-CD1 3.78Å; D261-L272 WeakPolarHBondContact OD2-CD1 3.27Å; L268-L272 HydrophobicContact CD1-CB 3.8Å; L268-L272 HydrophobicContact CD1-CD1 3.98Å; L268-L272 HydrophobicContact CG-CB 4.12Å; N269-L272 HydrophobicContact CB-CB 4.37Å; N269-L272 HydrophobicContact CB-CD1 4.26Å; N269-L272 HydrophobicContact CB-CG 4.25Å; N269-L272 PolarHBondContact O-N 2.87Å; N269-L272 VanDerWaalsContact O-N 3.1Å; L272-S274 VanDerWaalsContact C-N 3.3Å; L272-S274 PolarHBondContact O-N 3.12Å; L272-A275 WeakPolarHBondContact O-CB 3.29Å; L272-A275 PolarHBondContact O-N 2.66Å; L272-A275 VanDerWaalsContact O-N 3.11Å; L272-L276 PolarHBondContact O-N 3.33Å |
| 273 | Y | 94 | Very high | 92.1 | Very high | 47 Ų | 47 | 66.5 Ų | 66.5 | 18% | 0.184 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59 | -45 | 172.6 | -174.3 | -84.6 | 0 | 0 | 0 | 111 | L268 N269 F270 A275 L276 K277 I307 S310 I311 K314 | L268-Y273 HydrophobicContact CD2-CD2 4.19Å; N269-Y273 PolarHBondContact O-N 2.99Å; F270-Y273 PolarHBondContact O-N 3.21Å; Y273-A275 VanDerWaalsContact C-N 3.29Å; Y273-A275 PolarHBondContact O-N 3.44Å; Y273-L276 PolarHBondContact O-N 3.49Å; Y273-K277 PolarHBondContact O-N 3.14Å; Y273-I307 HydrophobicContact CD2-CG2 4.45Å; Y273-S310 WeakPolarHBondContact CE2-OG 3.48Å; Y273-S310 PolarHBondContact OH-OG 3.43Å; Y273-I311 HydrophobicContact CD2-CD1 4Å; Y273-I311 HydrophobicContact CD2-CG1 4.1Å; Y273-I311 HydrophobicContact CE1-CG1 4.3Å; Y273-I311 HydrophobicContact CE2-CD1 3.91Å; Y273-I311 HydrophobicContact CE2-CG1 3.49Å; Y273-I311 VanDerWaalsContact CE2-CG1 3.49Å; Y273-I311 HydrophobicContact CG-CD1 4.49Å; Y273-K314 WeakPolarHBondContact OH-CD 3.4Å |
| 274 | S | 93.6 | Very high | 92.2 | Very high | 22 Ų | 22 | 63.2 Ų | 63.2 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.3 | -32.7 | 175.2 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | F270 H271 L272 K277 K278 | F270-S274 WeakPolarHBondContact O-CB 3.38Å; F270-S274 PolarHBondContact O-N 3.35Å; F270-S274 PolarHBondContact O-OG 2.85Å; H271-S274 PolarHBondContact O-N 2.73Å; L272-S274 VanDerWaalsContact C-N 3.3Å; L272-S274 PolarHBondContact O-N 3.12Å; S274-K277 PolarHBondContact O-N 3.47Å; S274-K278 WeakPolarHBondContact O-CB 3.31Å; S274-K278 PolarHBondContact O-N 2.83Å |
| 275 | A | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.6 | -46.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y231 T234 L254 H271 L272 Y273 K277 K278 A279 | Y231-A275 HydrophobicContact CD2-CB 4.26Å; T234-A275 HydrophobicContact CG2-CB 4.3Å; T234-A275 VanDerWaalsContact CG2-O 3.3Å; T234-A275 WeakPolarHBondContact CG2-O 3.32Å; L254-A275 HydrophobicContact CD1-CB 4.14Å; H271-A275 WeakPolarHBondContact O-CB 3.33Å; H271-A275 PolarHBondContact O-N 2.97Å; L272-A275 WeakPolarHBondContact O-CB 3.29Å; L272-A275 PolarHBondContact O-N 2.66Å; L272-A275 VanDerWaalsContact O-N 3.11Å; Y273-A275 VanDerWaalsContact C-N 3.29Å; Y273-A275 PolarHBondContact O-N 3.44Å; A275-K277 VanDerWaalsContact C-N 3.34Å; A275-K277 PolarHBondContact O-N 3.35Å; A275-K278 PolarHBondContact O-N 3.45Å; A275-K278 VanDerWaalsContact O-N 3.13Å; A275-A279 WeakPolarHBondContact O-CB 3.49Å; A275-A279 PolarHBondContact O-N 3.11Å |
| 276 | L | 94.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 174.1 | -73.1 | 171.6 | 0 | 0 | 0 | 111.9 | L254 V258 L268 L272 Y273 K278 A279 L280 I290 I311 | L254-L276 HydrophobicContact CD2-CD2 4.11Å; L254-L276 HydrophobicContact CG-CD2 4.3Å; V258-L276 HydrophobicContact CG1-CD1 3.98Å; V258-L276 HydrophobicContact CG2-CD1 3.94Å; V258-L276 HydrophobicContact CG2-CD2 4.12Å; V258-L276 HydrophobicContact CG2-CG 4.04Å; L268-L276 HydrophobicContact CD2-CD1 3.76Å; L272-L276 PolarHBondContact O-N 3.33Å; Y273-L276 PolarHBondContact O-N 3.49Å; L276-K278 VanDerWaalsContact C-N 3.3Å; L276-K278 PolarHBondContact O-N 3.39Å; L276-A279 PolarHBondContact O-N 2.93Å; L276-L280 PolarHBondContact O-N 3.15Å; L276-I290 HydrophobicContact CD2-CD1 3.72Å; L276-I290 HydrophobicContact CD2-CG2 4.32Å; L276-I311 HydrophobicContact CB-CD1 3.39Å; L276-I311 HydrophobicContact CD1-CD1 3.57Å; L276-I311 HydrophobicContact CG-CD1 4.14Å |
| 277 | K | 93.9 | Very high | 93.1 | Very high | 111 Ų | 111 | 44.8 Ų | 44.8 | 48% | 0.483 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.6 | -40.9 | 173.9 | -175.8 | 173.2 | -178.9 | -178.4 | 0 | 111.6 | Y273 S274 A275 L280 I311 | Y273-K277 PolarHBondContact O-N 3.14Å; S274-K277 PolarHBondContact O-N 3.47Å; A275-K277 VanDerWaalsContact C-N 3.34Å; A275-K277 PolarHBondContact O-N 3.35Å; K277-L280 WeakPolarHBondContact O-CB 3.45Å; K277-I311 HydrophobicContact CB-CG2 4.38Å |
| 278 | K | 93.4 | Very high | 93.4 | Very high | 34 Ų | 34 | 40.8 Ų | 40.8 | 15% | 0.148 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -73.7 | -34.7 | 178.6 | -164.5 | 62.3 | 179.1 | 173.1 | 0 | 112.6 | Y231 R235 S274 A275 L276 L280 F281 | Y231-K278 HydrophobicContact CE2-CB 4.41Å; R235-K278 HydrophobicContact CB-CG 4.21Å; R235-K278 HydrophobicContact CG-CG 4.19Å; S274-K278 WeakPolarHBondContact O-CB 3.31Å; S274-K278 PolarHBondContact O-N 2.83Å; A275-K278 PolarHBondContact O-N 3.45Å; A275-K278 VanDerWaalsContact O-N 3.13Å; L276-K278 VanDerWaalsContact C-N 3.3Å; L276-K278 PolarHBondContact O-N 3.39Å; K278-L280 PolarHBondContact O-N 3.48Å; K278-F281 HydrophobicContact CD-CD2 3.84Å; K278-F281 HydrophobicContact CD-CE2 3.91Å; K278-F281 WeakPolarHBondContact O-CB 3.48Å; K278-F281 PolarHBondContact O-N 3.21Å; K278-F281 VanDerWaalsContact O-N 3.16Å |
| 279 | A | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.3 | -30 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T234 Y250 L254 A275 L276 F281 K282 I290 | T234-A279 HydrophobicContact CG2-CB 3.81Å; Y250-A279 HydrophobicContact CD1-CB 4.29Å; Y250-A279 HydrophobicContact CE1-CB 3.66Å; Y250-A279 HydrophobicContact CE2-CB 4.11Å; Y250-A279 VanDerWaalsContact OH-CA 3.31Å; Y250-A279 WeakPolarHBondContact OH-CA 3.35Å; Y250-A279 PolarHBondContact OH-O 3.21Å; L254-A279 HydrophobicContact CD2-CB 4Å; A275-A279 WeakPolarHBondContact O-CB 3.49Å; A275-A279 PolarHBondContact O-N 3.11Å; L276-A279 PolarHBondContact O-N 2.93Å; A279-F281 PolarHBondContact O-N 3.47Å; A279-K282 PolarHBondContact O-N 2.78Å; A279-I290 HydrophobicContact CB-CD1 4.4Å |
| 280 | L | 92.8 | Very high | 93.4 | Very high | 13 Ų | 13 | 36.4 Ų | 36.4 | 7% | 0.068 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -7.3 | -178.9 | -154.1 | 132.9 | 0 | 0 | 0 | 114.1 | L276 K277 K278 K282 W286 I311 L312 C315 I317 | L276-L280 PolarHBondContact O-N 3.15Å; K277-L280 WeakPolarHBondContact O-CB 3.45Å; K278-L280 PolarHBondContact O-N 3.48Å; L280-K282 PolarHBondContact O-N 2.82Å; L280-W286 HydrophobicContact CB-CG 4.36Å; L280-W286 HydrophobicContact CD1-CD2 3.77Å; L280-W286 HydrophobicContact CD1-CE3 4.23Å; L280-W286 HydrophobicContact CD1-CG 4.15Å; L280-W286 HydrophobicContact CD1-CH2 4.44Å; L280-W286 HydrophobicContact CD1-CZ2 3.94Å; L280-W286 HydrophobicContact CG-CD2 4.3Å; L280-W286 HydrophobicContact CG-CG 4.24Å; L280-I311 HydrophobicContact CD1-CG2 4.27Å; L280-L312 HydrophobicContact CD1-CD2 4.45Å; L280-C315 HydrophobicContact CD1-CB 4.38Å; L280-C315 HydrophobicContact CD2-CB 3.37Å; L280-C315 HydrophobicContact CG-CB 4.43Å; L280-I317 HydrophobicContact CD1-CD1 4.47Å; L280-I317 HydrophobicContact CD2-CD1 4.32Å; L280-I317 HydrophobicContact CD2-CG1 3.85Å |
| 281 | F | 90.8 | Very high | 93.3 | Very high | 136 Ų | 136 | 29.9 Ų | 29.9 | 60% | 0.596 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24 | 167.3 | -96.8 | -104.6 | 0 | 0 | 0 | 112.9 | W104 K278 A279 P283 | W104-F281 HydrophobicContact CH2-CZ 4.36Å; K278-F281 HydrophobicContact CD-CD2 3.84Å; K278-F281 HydrophobicContact CD-CE2 3.91Å; K278-F281 WeakPolarHBondContact O-CB 3.48Å; K278-F281 PolarHBondContact O-N 3.21Å; K278-F281 VanDerWaalsContact O-N 3.16Å; A279-F281 PolarHBondContact O-N 3.47Å; F281-P283 WeakPolarHBondContact O-CD 3.43Å |
| 282 | K | 92.8 | Very high | 93.2 | Very high | 60 Ų | 60 | 27.8 Ų | 27.8 | 26% | 0.261 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -114.6 | 84.7 | 170.5 | -73 | -175.5 | -178.5 | -86.8 | 0 | 109 | S238 L241 A246 A279 L280 G284 A285 W286 | S238-K282 VanDerWaalsContact O-CD 3.26Å; S238-K282 WeakPolarHBondContact O-CD 3.26Å; S238-K282 WeakPolarHBondContact O-CE 3.47Å; L241-K282 WeakPolarHBondContact O-CE 3.46Å; L241-K282 PolarHBondContact O-NZ 3.37Å; A246-K282 HydrophobicContact CB-CD 4.35Å; A279-K282 PolarHBondContact O-N 2.78Å; L280-K282 PolarHBondContact O-N 2.82Å; K282-G284 PolarHBondContact O-N 3.32Å; K282-A285 HydrophobicContact CB-CB 4.16Å; K282-A285 PolarHBondContact O-N 3.45Å; K282-W286 WeakPolarHBondContact O-CB 3.47Å; K282-W286 PolarHBondContact O-N 2.92Å |
| 283 | P | 92.9 | Very high | 93 | Very high | 17 Ų | 17 | 28.9 Ų | 28.9 | 11% | 0.11 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.5 | -40 | -170.9 | 22.3 | -33.2 | 0 | 0 | 0 | 113 | F281 A285 W286 F287 I317 P318 H321 | F281-P283 WeakPolarHBondContact O-CD 3.43Å; P283-A285 PolarHBondContact O-N 2.87Å; P283-W286 WeakPolarHBondContact O-CB 3.16Å; P283-W286 PolarHBondContact O-N 3.15Å; P283-W286 VanDerWaalsContact O-N 3.16Å; P283-F287 HydrophobicContact CB-CD2 4.39Å; P283-F287 HydrophobicContact CB-CE2 4.26Å; P283-F287 WeakPolarHBondContact O-CD2 3.15Å; P283-F287 PolarHBondContact O-N 3.35Å; P283-I317 HydrophobicContact CB-CG2 4.21Å; P283-P318 HydrophobicContact CG-CG 4.04Å; P283-H321 HydrophobicContact CB-CB 4.04Å; P283-H321 HydrophobicContact CG-CB 4.41Å |
| 284 | G | 91.7 | Very high | 92.8 | Very high | 6 Ų | 6 | 26.7 Ų | 26.7 | 6% | 0.062 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.4 | -43.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E243 K282 K288 H321 | E243-G284 VanDerWaalsContact OE1-C 3.26Å; E243-G284 WeakPolarHBondContact OE1-CA 3.45Å; K282-G284 PolarHBondContact O-N 3.32Å; G284-K288 WeakPolarHBondContact O-CB 3.24Å; G284-K288 WeakPolarHBondContact O-CG 3.4Å; G284-K288 PolarHBondContact O-N 3.06Å; G284-K288 VanDerWaalsContact O-N 3.16Å; G284-H321 PolarHBondContact N-CD2 2.92Å |
| 285 | A | 93.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.6 | -38.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E243 A246 Q247 Y250 K282 P283 G289 | E243-A285 HydrophobicContact CG-CB 3.79Å; E243-A285 PolarHBondContact OE1-N 3.37Å; A246-A285 HydrophobicContact CB-CB 4.02Å; Q247-A285 HydrophobicContact CB-CB 4.25Å; Y250-A285 HydrophobicContact CD2-CB 4.1Å; Y250-A285 HydrophobicContact CE2-CB 3.77Å; K282-A285 HydrophobicContact CB-CB 4.16Å; K282-A285 PolarHBondContact O-N 3.45Å; P283-A285 PolarHBondContact O-N 2.87Å; A285-G289 VanDerWaalsContact O-CA 3.3Å; A285-G289 WeakPolarHBondContact O-CA 3.36Å; A285-G289 PolarHBondContact O-N 3.16Å |
| 286 | W | 95.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.7 | -48.1 | 179.2 | -175.9 | 94.8 | 0 | 0 | 0 | 111.8 | L280 K282 P283 G289 I290 L291 I308 L312 | L280-W286 HydrophobicContact CB-CG 4.36Å; L280-W286 HydrophobicContact CD1-CD2 3.77Å; L280-W286 HydrophobicContact CD1-CE3 4.23Å; L280-W286 HydrophobicContact CD1-CG 4.15Å; L280-W286 HydrophobicContact CD1-CH2 4.44Å; L280-W286 HydrophobicContact CD1-CZ2 3.94Å; L280-W286 HydrophobicContact CG-CD2 4.3Å; L280-W286 HydrophobicContact CG-CG 4.24Å; K282-W286 WeakPolarHBondContact O-CB 3.47Å; K282-W286 PolarHBondContact O-N 2.92Å; P283-W286 WeakPolarHBondContact O-CB 3.16Å; P283-W286 PolarHBondContact O-N 3.15Å; P283-W286 VanDerWaalsContact O-N 3.16Å; W286-G289 PolarHBondContact O-N 2.99Å; W286-I290 HydrophobicContact CG-CD1 4.33Å; W286-I290 WeakPolarHBondContact O-CA 3.26Å; W286-I290 VanDerWaalsContact O-CB 3.28Å; W286-I290 WeakPolarHBondContact O-CB 3.42Å; W286-I290 PolarHBondContact O-N 3.23Å; W286-L291 HydrophobicContact CE3-CB 4.39Å; W286-L291 HydrophobicContact CH2-CB 3.97Å; W286-L291 HydrophobicContact CH2-CD1 4.32Å; W286-L291 HydrophobicContact CH2-CD2 4.34Å; W286-L291 HydrophobicContact CH2-CG 4.44Å; W286-L291 HydrophobicContact CZ3-CB 3.69Å; W286-L291 HydrophobicContact CZ3-CD2 3.97Å; W286-L291 HydrophobicContact CZ3-CG 4.31Å; W286-L291 PolarHBondContact O-N 3.3Å; W286-I308 HydrophobicContact CH2-CG2 4.12Å; W286-I308 HydrophobicContact CZ2-CG2 3.87Å; W286-L312 HydrophobicContact CE3-CD2 4.41Å; W286-L312 HydrophobicContact CH2-CD1 3.97Å; W286-L312 HydrophobicContact CH2-CD2 3.28Å; W286-L312 HydrophobicContact CH2-CG 3.59Å; W286-L312 HydrophobicContact CZ2-CD2 4.15Å; W286-L312 HydrophobicContact CZ2-CG 4.34Å; W286-L312 HydrophobicContact CZ3-CD2 3.43Å; W286-L312 VanDerWaalsContact CZ3-CD2 3.43Å; W286-L312 HydrophobicContact CZ3-CG 4.22Å |
| 287 | F | 94.4 | Very high | 91.4 | Very high | 7 Ų | 7 | 32.1 Ų | 32.1 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -64.3 | -47.6 | 178.8 | -76.1 | -65.3 | 0 | 0 | 0 | 112 | P283 L291 I292 L312 I317 H321 A325 L345 | P283-F287 HydrophobicContact CB-CD2 4.39Å; P283-F287 HydrophobicContact CB-CE2 4.26Å; P283-F287 WeakPolarHBondContact O-CD2 3.15Å; P283-F287 PolarHBondContact O-N 3.35Å; F287-L291 HydrophobicContact CD1-CB 4.18Å; F287-L291 HydrophobicContact CD1-CD2 3.63Å; F287-L291 HydrophobicContact CE1-CD2 3.76Å; F287-L291 PolarHBondContact O-N 3.27Å; F287-I292 HydrophobicContact CB-CD1 4.47Å; F287-I292 WeakPolarHBondContact O-CB 3.39Å; F287-I292 WeakPolarHBondContact O-CG1 3.3Å; F287-I292 PolarHBondContact O-N 3.27Å; F287-L312 HydrophobicContact CE1-CD2 4.21Å; F287-L312 HydrophobicContact CZ-CD2 4.4Å; F287-I317 HydrophobicContact CE2-CG2 3.68Å; F287-I317 HydrophobicContact CZ-CD1 4.15Å; F287-I317 HydrophobicContact CZ-CG2 3.89Å; F287-H321 HydrophobicContact CD2-CB 4.09Å; F287-H321 HydrophobicContact CE2-CB 3.86Å; F287-A325 HydrophobicContact CB-CB 4.45Å; F287-A325 HydrophobicContact CD1-CB 3.33Å; F287-A325 HydrophobicContact CD2-CB 4.28Å; F287-A325 HydrophobicContact CE1-CB 3.43Å; F287-A325 VanDerWaalsContact CE1-CB 3.43Å; F287-A325 HydrophobicContact CE2-CB 4.39Å; F287-A325 HydrophobicContact CG-CB 3.79Å; F287-A325 HydrophobicContact CZ-CB 3.99Å; F287-L345 HydrophobicContact CE1-CD2 4.48Å; F287-L345 HydrophobicContact CZ-CD2 4.48Å |
| 288 | K | 92.3 | Very high | 90.5 | Very high | 106 Ų | 106 | 27.4 Ų | 27.4 | 46% | 0.461 | 14% | 0.135 | S | C | . | . | I | π-helix | trans | -75 | -22.6 | -178.8 | -64.4 | 172.8 | -176 | 165.4 | 0 | 113.7 | Q247 G284 I292 P293 | Q247-K288 HydrophobicContact CG-CB 3.95Å; G284-K288 WeakPolarHBondContact O-CB 3.24Å; G284-K288 WeakPolarHBondContact O-CG 3.4Å; G284-K288 PolarHBondContact O-N 3.06Å; G284-K288 VanDerWaalsContact O-N 3.16Å; K288-I292 HydrophobicContact CG-CD1 4.47Å; K288-P293 WeakPolarHBondContact O-CD 3.3Å; K288-P293 WeakPolarHBondContact O-CG 3.38Å |
| 289 | G | 90 | Very high | 89.9 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -99.6 | -29.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | N251 A285 W286 | N251-G289 WeakPolarHBondContact CA-O 3.49Å; A285-G289 VanDerWaalsContact O-CA 3.3Å; A285-G289 WeakPolarHBondContact O-CA 3.36Å; A285-G289 PolarHBondContact O-N 3.16Å; W286-G289 PolarHBondContact O-N 2.99Å |
| 290 | I | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -117.1 | -66.2 | -174.4 | -51.2 | -170.9 | 0 | 0 | 0 | 110.5 | Y250 L254 L255 L276 A279 W286 L294 | Y250-I290 HydrophobicContact CD2-CD1 4.42Å; Y250-I290 HydrophobicContact CD2-CG1 4.39Å; Y250-I290 HydrophobicContact CG-CD1 4.2Å; Y250-I290 HydrophobicContact CG-CG1 4.23Å; L254-I290 HydrophobicContact CD2-CD1 3.95Å; L255-I290 HydrophobicContact CD1-CG2 4.08Å; L276-I290 HydrophobicContact CD2-CD1 3.72Å; L276-I290 HydrophobicContact CD2-CG2 4.32Å; A279-I290 HydrophobicContact CB-CD1 4.4Å; W286-I290 HydrophobicContact CG-CD1 4.33Å; W286-I290 WeakPolarHBondContact O-CA 3.26Å; W286-I290 VanDerWaalsContact O-CB 3.28Å; W286-I290 WeakPolarHBondContact O-CB 3.42Å; W286-I290 PolarHBondContact O-N 3.23Å; I290-L294 WeakPolarHBondContact O-CB 3.33Å; I290-L294 PolarHBondContact O-N 2.99Å; I290-L294 VanDerWaalsContact O-N 3.11Å |
| 291 | L | 92 | Very high | 89.1 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -67.8 | -54.3 | -168.4 | -172.8 | 66.6 | 0 | 0 | 0 | 113.1 | W286 F287 L294 C295 L312 L329 F341 | W286-L291 HydrophobicContact CE3-CB 4.39Å; W286-L291 HydrophobicContact CH2-CB 3.97Å; W286-L291 HydrophobicContact CH2-CD1 4.32Å; W286-L291 HydrophobicContact CH2-CD2 4.34Å; W286-L291 HydrophobicContact CH2-CG 4.44Å; W286-L291 HydrophobicContact CZ3-CB 3.69Å; W286-L291 HydrophobicContact CZ3-CD2 3.97Å; W286-L291 HydrophobicContact CZ3-CG 4.31Å; W286-L291 PolarHBondContact O-N 3.3Å; F287-L291 HydrophobicContact CD1-CB 4.18Å; F287-L291 HydrophobicContact CD1-CD2 3.63Å; F287-L291 HydrophobicContact CE1-CD2 3.76Å; F287-L291 PolarHBondContact O-N 3.27Å; L291-L294 WeakPolarHBondContact O-CB 3.28Å; L291-L294 PolarHBondContact O-N 3.11Å; L291-C295 PolarHBondContact O-N 3.42Å; L291-C295 PolarHBondContact O-SG 3.47Å; L291-L312 HydrophobicContact CD2-CD1 4.37Å; L291-L329 HydrophobicContact CD2-CD1 4.11Å; L291-F341 HydrophobicContact CD1-CB 4.45Å; L291-F341 HydrophobicContact CD1-CD1 3.6Å; L291-F341 HydrophobicContact CD1-CD2 3.74Å; L291-F341 HydrophobicContact CD1-CE1 3.55Å; L291-F341 HydrophobicContact CD1-CE2 3.69Å; L291-F341 HydrophobicContact CD1-CG 3.68Å; L291-F341 HydrophobicContact CD1-CZ 3.58Å |
| 292 | I | 91.3 | Very high | 88.7 | Confident | 23 Ų | 23 | 24.2 Ų | 24.2 | 12% | 0.118 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.5 | -50.1 | -176.4 | -65.1 | 164.3 | 0 | 0 | 0 | 110.6 | F287 K288 L294 C295 E296 K328 | F287-I292 HydrophobicContact CB-CD1 4.47Å; F287-I292 WeakPolarHBondContact O-CB 3.39Å; F287-I292 WeakPolarHBondContact O-CG1 3.3Å; F287-I292 PolarHBondContact O-N 3.27Å; K288-I292 HydrophobicContact CG-CD1 4.47Å; I292-L294 VanDerWaalsContact C-N 3.26Å; I292-L294 PolarHBondContact O-N 3.32Å; I292-C295 PolarHBondContact O-N 2.74Å; I292-C295 VanDerWaalsContact O-N 3.16Å; I292-E296 VanDerWaalsContact CG2-CD 3.48Å; I292-E296 HydrophobicContact CG2-CG 3.97Å; I292-E296 WeakPolarHBondContact CG2-OE1 3.43Å; I292-E296 WeakPolarHBondContact O-CB 3.46Å; I292-E296 WeakPolarHBondContact O-CG 3.38Å; I292-E296 PolarHBondContact O-N 3.4Å; I292-K328 HydrophobicContact CD1-CB 4.39Å; I292-K328 HydrophobicContact CD1-CG 4.09Å; I292-K328 HydrophobicContact CG1-CG 4.2Å; I292-K328 HydrophobicContact CG2-CG 4.13Å |
| 293 | P | 91.1 | Very high | 88.4 | Confident | 23 Ų | 23 | 27.3 Ų | 27.3 | 15% | 0.149 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.4 | -33 | 177.3 | -25.4 | 36.3 | 0 | 0 | 0 | 113.8 | N251 L255 K288 S297 | N251-P293 WeakPolarHBondContact ND2-CB 3.34Å; N251-P293 WeakPolarHBondContact ND2-CG 3.4Å; L255-P293 HydrophobicContact CD2-CB 4.12Å; K288-P293 WeakPolarHBondContact O-CD 3.3Å; K288-P293 WeakPolarHBondContact O-CG 3.38Å; P293-S297 WeakPolarHBondContact O-CB 3.45Å; P293-S297 PolarHBondContact O-N 3.49Å |
| 294 | L | 89.2 | Confident | 88.3 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.9 | -46.5 | 175.8 | -177.8 | 72 | 0 | 0 | 0 | 111 | L255 R259 I290 L291 I292 S297 C300 I308 F341 | L255-L294 HydrophobicContact CD1-CB 4.37Å; L255-L294 HydrophobicContact CD1-CD1 4.19Å; R259-L294 HydrophobicContact CG-CD1 4.35Å; I290-L294 WeakPolarHBondContact O-CB 3.33Å; I290-L294 PolarHBondContact O-N 2.99Å; I290-L294 VanDerWaalsContact O-N 3.11Å; L291-L294 WeakPolarHBondContact O-CB 3.28Å; L291-L294 PolarHBondContact O-N 3.11Å; I292-L294 VanDerWaalsContact C-N 3.26Å; I292-L294 PolarHBondContact O-N 3.32Å; L294-S297 PolarHBondContact O-OG 2.83Å; L294-C300 HydrophobicContact CD1-CB 4.41Å; L294-C300 HydrophobicContact CG-CB 4.07Å; L294-I308 HydrophobicContact CD2-CD1 3.34Å; L294-F341 HydrophobicContact CD2-CE2 4.39Å; L294-F341 HydrophobicContact CD2-CZ 4.11Å |
| 295 | C | 87.1 | Confident | 88.2 | Confident | 7 Ų | 7 | 26.5 Ų | 26.5 | 5% | 0.047 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.6 | -43.6 | 178 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | L291 I292 S297 G298 L329 M332 N338 | L291-C295 PolarHBondContact O-N 3.42Å; L291-C295 PolarHBondContact O-SG 3.47Å; I292-C295 PolarHBondContact O-N 2.74Å; I292-C295 VanDerWaalsContact O-N 3.16Å; C295-S297 VanDerWaalsContact C-N 3.26Å; C295-S297 PolarHBondContact O-N 3.05Å; C295-G298 PolarHBondContact O-N 3.41Å; C295-L329 HydrophobicContact CB-CD2 4.17Å; C295-M332 HydrophobicContact CB-CE 3.8Å; C295-M332 HydrophobicContact CB-SD 4.39Å; C295-N338 VanDerWaalsContact CB-OD1 3.24Å; C295-N338 WeakPolarHBondContact CB-OD1 3.27Å; C295-N338 PolarHBondContact SG-OD1 3.25Å |
| 296 | E | 86.5 | Confident | 88 | Confident | 107 Ų | 107 | 29 Ų | 29 | 50% | 0.5 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -63.7 | -29.9 | 178.4 | -73.5 | -179.1 | 164.9 | 0 | 0 | 112.4 | I292 G298 K328 M332 | I292-E296 VanDerWaalsContact CG2-CD 3.48Å; I292-E296 HydrophobicContact CG2-CG 3.97Å; I292-E296 WeakPolarHBondContact CG2-OE1 3.43Å; I292-E296 WeakPolarHBondContact O-CB 3.46Å; I292-E296 WeakPolarHBondContact O-CG 3.38Å; I292-E296 PolarHBondContact O-N 3.4Å; E296-G298 PolarHBondContact O-N 3.49Å; E296-G298 VanDerWaalsContact O-N 3.14Å; E296-K328 WeakPolarHBondContact OE1-CE 3.41Å; E296-K328 IonicContact OE1-NZ 2.83Å; E296-M332 HydrophobicContact CB-SD 4.48Å; E296-M332 HydrophobicContact CG-SD 3.34Å; E296-M332 WeakPolarHBondContact CG-SD 3.34Å |
| 297 | S | 80.7 | Confident | 87.8 | Confident | 24 Ų | 24 | 30.4 Ų | 30.4 | 17% | 0.168 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.1 | 179.6 | 75.2 | 0 | 0 | 0 | 0 | 114 | R259 P293 L294 C295 T299 | R259-S297 PolarHBondContact NH1-OG 2.87Å; R259-S297 VanDerWaalsContact NH1-OG 3.12Å; P293-S297 WeakPolarHBondContact O-CB 3.45Å; P293-S297 PolarHBondContact O-N 3.49Å; L294-S297 PolarHBondContact O-OG 2.83Å; C295-S297 VanDerWaalsContact C-N 3.26Å; C295-S297 PolarHBondContact O-N 3.05Å; S297-T299 PolarHBondContact O-N 3Å; S297-T299 PolarHBondContact OG-N 2.87Å; S297-T299 PolarHBondContact OG-OG1 2.76Å |
| 298 | G | 74.6 | Confident | 87.7 | Confident | 11 Ų | 11 | 30.1 Ų | 30.1 | 11% | 0.113 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 66 | -5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | C295 E296 | C295-G298 PolarHBondContact O-N 3.41Å; E296-G298 PolarHBondContact O-N 3.49Å; E296-G298 VanDerWaalsContact O-N 3.14Å |
| 299 | T | 81 | Confident | 87.7 | Confident | 29 Ų | 29 | 25 Ų | 25 | 18% | 0.178 | 13% | 0.129 | C | C | . | . | trans | -96.2 | 3.1 | -180 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | P141 R259 S297 T301 | P141-T299 HydrophobicContact CB-CG2 3.03Å; P141-T299 HydrophobicContact CG-CG2 3.33Å; R259-T299 VanDerWaalsContact CZ-OG1 3.27Å; R259-T299 PolarHBondContact NH1-OG1 2.83Å; R259-T299 VanDerWaalsContact NH2-C 3.29Å; R259-T299 PolarHBondContact NH2-O 3.37Å; R259-T299 PolarHBondContact NH2-OG1 3.16Å; S297-T299 PolarHBondContact O-N 3Å; S297-T299 PolarHBondContact OG-N 2.87Å; S297-T299 PolarHBondContact OG-OG1 2.76Å; T299-T301 PolarHBondContact O-N 3.49Å | ||
| 300 | C | 83.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -62.7 | 118.1 | -176.6 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | M137 L294 E304 A337 | M137-C300 WeakPolarHBondContact CE-O 3.3Å; L294-C300 HydrophobicContact CD1-CB 4.41Å; L294-C300 HydrophobicContact CG-CB 4.07Å; C300-E304 WeakPolarHBondContact CA-OE2 3.31Å; C300-A337 HydrophobicContact CB-CB 4Å | ||
| 301 | T | 85.7 | Confident | 87.7 | Confident | 65 Ų | 65 | 26.8 Ų | 26.8 | 40% | 0.399 | 14% | 0.141 | S | C | . | . | trans | -84.8 | 160.9 | 177.1 | 66.2 | 0 | 0 | 0 | 0 | 111.1 | T299 R303 E304 A305 | T299-T301 PolarHBondContact O-N 3.49Å; T301-R303 VanDerWaalsContact C-N 3.28Å; T301-R303 PolarHBondContact O-N 3.33Å; T301-E304 PolarHBondContact N-OE2 2.75Å; T301-E304 PolarHBondContact O-N 3.45Å; T301-E304 VanDerWaalsContact OG1-CG 3.26Å; T301-E304 WeakPolarHBondContact OG1-CG 3.26Å; T301-E304 PolarHBondContact OG1-N 3.22Å; T301-E304 PolarHBondContact OG1-OE2 3.41Å; T301-A305 PolarHBondContact O-N 3.16Å | ||
| 302 | L | 83.8 | Confident | 87.7 | Confident | 22 Ų | 22 | 26.8 Ų | 26.8 | 12% | 0.115 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.5 | -41.2 | 176.3 | -70 | 173.5 | 0 | 0 | 0 | 112.6 | V125 E130 I133 A305 I306 I340 | V125-L302 HydrophobicContact CG1-CD1 4.09Å; E130-L302 HydrophobicContact CB-CD1 4.23Å; E130-L302 HydrophobicContact CG-CD1 3.9Å; I133-L302 HydrophobicContact CB-CD1 4.24Å; I133-L302 HydrophobicContact CB-CD2 4.38Å; I133-L302 HydrophobicContact CD1-CD1 4.12Å; I133-L302 HydrophobicContact CD1-CD2 3.65Å; I133-L302 HydrophobicContact CG2-CD1 4.18Å; I133-L302 HydrophobicContact CG2-CD2 3.76Å; I133-L302 HydrophobicContact CG2-CG 4.11Å; L302-A305 PolarHBondContact O-N 2.81Å; L302-I306 WeakPolarHBondContact O-CD1 3.32Å; L302-I306 VanDerWaalsContact O-CG1 3.24Å; L302-I306 WeakPolarHBondContact O-CG1 3.21Å; L302-I306 PolarHBondContact O-N 2.89Å; L302-I340 HydrophobicContact CD2-CD1 3.76Å |
| 303 | R | 86.2 | Confident | 87.7 | Confident | 125 Ų | 125 | 27.4 Ų | 27.4 | 47% | 0.472 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.8 | -43.6 | 177.6 | -67.5 | -174.4 | -177.7 | 142.1 | 6.9 | 112.2 | T301 A305 I306 I307 | T301-R303 VanDerWaalsContact C-N 3.28Å; T301-R303 PolarHBondContact O-N 3.33Å; R303-A305 VanDerWaalsContact C-N 3.28Å; R303-A305 PolarHBondContact O-N 3.29Å; R303-I306 PolarHBondContact O-N 3.11Å; R303-I307 WeakPolarHBondContact O-CB 3.41Å; R303-I307 WeakPolarHBondContact O-CD1 3.34Å; R303-I307 VanDerWaalsContact O-CG1 3.23Å; R303-I307 WeakPolarHBondContact O-CG1 3.5Å; R303-I307 PolarHBondContact O-N 3.03Å |
| 304 | E | 90.1 | Very high | 87.6 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 3% | 0.028 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.2 | -44.5 | 173.8 | -72.2 | 172.7 | 149 | 0 | 0 | 110.6 | R259 I262 C300 T301 I307 I308 | R259-E304 WeakPolarHBondContact CB-OE1 3.3Å; R259-E304 WeakPolarHBondContact CG-OE1 3.39Å; R259-E304 IonicContact CZ-OE1 3.07Å; R259-E304 IonicContact CZ-OE2 2.74Å; R259-E304 IonicContact NE-OE1 3.16Å; R259-E304 PolarHBondContact NE-OE1 3.28Å; R259-E304 IonicContact NE-OE2 2.76Å; R259-E304 IonicContact NH2-OE1 3.49Å; R259-E304 PolarHBondContact NH2-OE1 2.63Å; R259-E304 IonicContact NH2-OE2 3.12Å; R259-E304 PolarHBondContact NH2-OE2 3.31Å; I262-E304 HydrophobicContact CB-CG 4.39Å; I262-E304 HydrophobicContact CD1-CG 4.04Å; I262-E304 HydrophobicContact CG2-CG 3.85Å; C300-E304 WeakPolarHBondContact CA-OE2 3.31Å; T301-E304 PolarHBondContact N-OE2 2.75Å; T301-E304 PolarHBondContact O-N 3.45Å; T301-E304 VanDerWaalsContact OG1-CG 3.26Å; T301-E304 WeakPolarHBondContact OG1-CG 3.26Å; T301-E304 PolarHBondContact OG1-N 3.22Å; T301-E304 PolarHBondContact OG1-OE2 3.41Å; E304-I307 PolarHBondContact O-N 3.19Å; E304-I308 WeakPolarHBondContact O-CB 3.37Å; E304-I308 WeakPolarHBondContact O-CG1 3.35Å; E304-I308 PolarHBondContact O-N 2.7Å |
| 305 | A | 90.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.5 | -43.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T301 L302 R303 G309 A337 I340 F341 | T301-A305 PolarHBondContact O-N 3.16Å; L302-A305 PolarHBondContact O-N 2.81Å; R303-A305 VanDerWaalsContact C-N 3.28Å; R303-A305 PolarHBondContact O-N 3.29Å; A305-G309 VanDerWaalsContact O-CA 3.31Å; A305-G309 WeakPolarHBondContact O-CA 3.34Å; A305-G309 PolarHBondContact O-N 3.43Å; A305-A337 HydrophobicContact CB-CB 3.84Å; A305-I340 HydrophobicContact CB-CB 4.47Å; A305-I340 HydrophobicContact CB-CD1 3.94Å; A305-F341 HydrophobicContact CB-CE2 4.06Å; A305-F341 HydrophobicContact CB-CZ 3.96Å; A305-F341 WeakPolarHBondContact O-CE1 3.38Å |
| 306 | I | 89.7 | Confident | 87.8 | Confident | 54 Ų | 54 | 39 Ų | 39 | 28% | 0.277 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.3 | -45.6 | 177.8 | -64.7 | 161.5 | 0 | 0 | 0 | 110.7 | V123 V125 L302 R303 G309 S310 I340 | V123-I306 HydrophobicContact CB-CG1 4.46Å; V125-I306 HydrophobicContact CG2-CD1 3.68Å; V125-I306 HydrophobicContact CG2-CG1 4.49Å; L302-I306 WeakPolarHBondContact O-CD1 3.32Å; L302-I306 VanDerWaalsContact O-CG1 3.24Å; L302-I306 WeakPolarHBondContact O-CG1 3.21Å; L302-I306 PolarHBondContact O-N 2.89Å; R303-I306 PolarHBondContact O-N 3.11Å; I306-G309 PolarHBondContact O-N 2.92Å; I306-S310 PolarHBondContact O-N 3.43Å; I306-I340 HydrophobicContact CG1-CD1 4.31Å |
| 307 | I | 91.1 | Very high | 88.1 | Confident | 29 Ų | 29 | 34.1 Ų | 34.1 | 15% | 0.149 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63 | -50.6 | -178.4 | -68 | 166.9 | 0 | 0 | 0 | 110.3 | I262 L268 Y273 R303 E304 G309 S310 | I262-I307 HydrophobicContact CD1-CD1 4.01Å; I262-I307 HydrophobicContact CG1-CD1 4.02Å; I262-I307 HydrophobicContact CG2-CD1 4.36Å; L268-I307 HydrophobicContact CB-CD1 4.33Å; L268-I307 HydrophobicContact CB-CG2 3.94Å; L268-I307 HydrophobicContact CD2-CG2 3.61Å; L268-I307 HydrophobicContact CG-CG2 4.41Å; Y273-I307 HydrophobicContact CD2-CG2 4.45Å; R303-I307 WeakPolarHBondContact O-CB 3.41Å; R303-I307 WeakPolarHBondContact O-CD1 3.34Å; R303-I307 VanDerWaalsContact O-CG1 3.23Å; R303-I307 WeakPolarHBondContact O-CG1 3.5Å; R303-I307 PolarHBondContact O-N 3.03Å; E304-I307 PolarHBondContact O-N 3.19Å; I307-G309 VanDerWaalsContact C-N 3.32Å; I307-S310 PolarHBondContact O-N 3.46Å; I307-S310 PolarHBondContact O-OG 3.19Å |
| 308 | I | 92.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.3 | -35.5 | 179.7 | -65.4 | 168.3 | 0 | 0 | 0 | 110.8 | W286 L294 E304 S310 I311 L312 F341 | W286-I308 HydrophobicContact CH2-CG2 4.12Å; W286-I308 HydrophobicContact CZ2-CG2 3.87Å; L294-I308 HydrophobicContact CD2-CD1 3.34Å; E304-I308 WeakPolarHBondContact O-CB 3.37Å; E304-I308 WeakPolarHBondContact O-CG1 3.35Å; E304-I308 PolarHBondContact O-N 2.7Å; I308-S310 VanDerWaalsContact C-N 3.32Å; I308-S310 PolarHBondContact O-N 3.45Å; I308-I311 WeakPolarHBondContact O-CB 3.36Å; I308-I311 PolarHBondContact O-N 2.85Å; I308-I311 VanDerWaalsContact O-N 3.11Å; I308-L312 PolarHBondContact O-N 3.37Å; I308-F341 HydrophobicContact CB-CE1 4.05Å; I308-F341 HydrophobicContact CB-CZ 4.23Å; I308-F341 HydrophobicContact CG2-CE1 3.93Å; I308-F341 HydrophobicContact CG2-CZ 4.25Å |
| 309 | G | 91.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.1 | -40.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | A305 I306 I307 I311 L312 T313 | A305-G309 VanDerWaalsContact O-CA 3.31Å; A305-G309 WeakPolarHBondContact O-CA 3.34Å; A305-G309 PolarHBondContact O-N 3.43Å; I306-G309 PolarHBondContact O-N 2.92Å; I307-G309 VanDerWaalsContact C-N 3.32Å; G309-I311 PolarHBondContact O-N 3.23Å; G309-L312 WeakPolarHBondContact O-CB 3.42Å; G309-L312 PolarHBondContact O-N 2.89Å; G309-L312 VanDerWaalsContact O-N 3.08Å; G309-T313 PolarHBondContact O-N 3.48Å |
| 310 | S | 91.8 | Very high | 89.9 | Confident | 34 Ų | 34 | 43 Ų | 43 | 24% | 0.238 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -25.6 | 176.4 | 77.5 | 0 | 0 | 0 | 0 | 113.4 | Y273 I306 I307 I308 T313 K314 | Y273-S310 WeakPolarHBondContact CE2-OG 3.48Å; Y273-S310 PolarHBondContact OH-OG 3.43Å; I306-S310 PolarHBondContact O-N 3.43Å; I307-S310 PolarHBondContact O-N 3.46Å; I307-S310 PolarHBondContact O-OG 3.19Å; I308-S310 VanDerWaalsContact C-N 3.32Å; I308-S310 PolarHBondContact O-N 3.45Å; S310-T313 WeakPolarHBondContact CA-OG1 3.44Å; S310-T313 PolarHBondContact O-OG1 3.41Å; S310-K314 WeakPolarHBondContact O-CB 3.3Å; S310-K314 VanDerWaalsContact O-CG 3.28Å; S310-K314 WeakPolarHBondContact O-CG 3.08Å; S310-K314 PolarHBondContact O-N 2.89Å |
| 311 | I | 92.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -76.6 | -39.9 | 175.6 | -57.5 | 174.9 | 0 | 0 | 0 | 109.8 | Y273 L276 K277 L280 I308 G309 T313 K314 C315 | Y273-I311 HydrophobicContact CD2-CD1 4Å; Y273-I311 HydrophobicContact CD2-CG1 4.1Å; Y273-I311 HydrophobicContact CE1-CG1 4.3Å; Y273-I311 HydrophobicContact CE2-CD1 3.91Å; Y273-I311 HydrophobicContact CE2-CG1 3.49Å; Y273-I311 VanDerWaalsContact CE2-CG1 3.49Å; Y273-I311 HydrophobicContact CG-CD1 4.49Å; L276-I311 HydrophobicContact CB-CD1 3.39Å; L276-I311 HydrophobicContact CD1-CD1 3.57Å; L276-I311 HydrophobicContact CG-CD1 4.14Å; K277-I311 HydrophobicContact CB-CG2 4.38Å; L280-I311 HydrophobicContact CD1-CG2 4.27Å; I308-I311 WeakPolarHBondContact O-CB 3.36Å; I308-I311 PolarHBondContact O-N 2.85Å; I308-I311 VanDerWaalsContact O-N 3.11Å; G309-I311 PolarHBondContact O-N 3.23Å; I311-T313 VanDerWaalsContact C-N 3.34Å; I311-T313 PolarHBondContact O-N 3.09Å; I311-K314 PolarHBondContact O-N 3.42Å; I311-C315 WeakPolarHBondContact O-CB 3.36Å; I311-C315 PolarHBondContact O-N 3Å; I311-C315 PolarHBondContact O-SG 2.8Å |
| 312 | L | 91.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.5 | -45.8 | 173.7 | -74.3 | 172.6 | 0 | 0 | 0 | 111.1 | L280 W286 F287 L291 I308 G309 I317 F341 L345 K348 | L280-L312 HydrophobicContact CD1-CD2 4.45Å; W286-L312 HydrophobicContact CE3-CD2 4.41Å; W286-L312 HydrophobicContact CH2-CD1 3.97Å; W286-L312 HydrophobicContact CH2-CD2 3.28Å; W286-L312 HydrophobicContact CH2-CG 3.59Å; W286-L312 HydrophobicContact CZ2-CD2 4.15Å; W286-L312 HydrophobicContact CZ2-CG 4.34Å; W286-L312 HydrophobicContact CZ3-CD2 3.43Å; W286-L312 VanDerWaalsContact CZ3-CD2 3.43Å; W286-L312 HydrophobicContact CZ3-CG 4.22Å; F287-L312 HydrophobicContact CE1-CD2 4.21Å; F287-L312 HydrophobicContact CZ-CD2 4.4Å; L291-L312 HydrophobicContact CD2-CD1 4.37Å; I308-L312 PolarHBondContact O-N 3.37Å; G309-L312 WeakPolarHBondContact O-CB 3.42Å; G309-L312 PolarHBondContact O-N 2.89Å; G309-L312 VanDerWaalsContact O-N 3.08Å; L312-I317 HydrophobicContact CD2-CD1 3.36Å; L312-F341 HydrophobicContact CD1-CD1 3.81Å; L312-F341 HydrophobicContact CD1-CE1 4.37Å; L312-L345 HydrophobicContact CD2-CD2 4.37Å; L312-K348 WeakPolarHBondContact O-CE 3.36Å; L312-K348 PolarHBondContact O-NZ 3.18Å |
| 313 | T | 91.1 | Very high | 91 | Very high | 37 Ų | 37 | 41.7 Ų | 41.7 | 23% | 0.227 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.7 | -39.8 | 179.5 | 56.3 | 0 | 0 | 0 | 0 | 112.7 | G309 S310 I311 L344 K348 | G309-T313 PolarHBondContact O-N 3.48Å; S310-T313 WeakPolarHBondContact CA-OG1 3.44Å; S310-T313 PolarHBondContact O-OG1 3.41Å; I311-T313 VanDerWaalsContact C-N 3.34Å; I311-T313 PolarHBondContact O-N 3.09Å; T313-L344 HydrophobicContact CG2-CB 4.17Å; T313-L344 HydrophobicContact CG2-CD1 4.32Å; T313-L344 HydrophobicContact CG2-CD2 3.63Å; T313-L344 HydrophobicContact CG2-CG 4.24Å; T313-K348 VanDerWaalsContact C-NZ 3.31Å; T313-K348 PolarHBondContact O-NZ 2.98Å |
| 314 | K | 90.4 | Very high | 91.3 | Very high | 145 Ų | 145 | 38.7 Ų | 38.7 | 63% | 0.63 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -77.6 | -24.2 | -177.8 | -70.4 | 177 | -173.6 | 178.2 | 0 | 114.5 | Y273 S310 I311 | Y273-K314 WeakPolarHBondContact OH-CD 3.4Å; S310-K314 WeakPolarHBondContact O-CB 3.3Å; S310-K314 VanDerWaalsContact O-CG 3.28Å; S310-K314 WeakPolarHBondContact O-CG 3.08Å; S310-K314 PolarHBondContact O-N 2.89Å; I311-K314 PolarHBondContact O-N 3.42Å |
| 315 | C | 90.1 | Very high | 91.4 | Very high | 14 Ų | 14 | 38.5 Ų | 38.5 | 10% | 0.095 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -97.6 | 145.2 | -177.7 | -57.4 | 0 | 0 | 0 | 0 | 112.3 | L280 I311 K348 | L280-C315 HydrophobicContact CD1-CB 4.38Å; L280-C315 HydrophobicContact CD2-CB 3.37Å; L280-C315 HydrophobicContact CG-CB 4.43Å; I311-C315 WeakPolarHBondContact O-CB 3.36Å; I311-C315 PolarHBondContact O-N 3Å; I311-C315 PolarHBondContact O-SG 2.8Å; C315-K348 PolarHBondContact O-NZ 3.38Å |
| 316 | S | 89.4 | Confident | 91.4 | Very high | 114 Ų | 114 | 38.5 Ų | 38.5 | 80% | 0.797 | 22% | 0.224 | S | C | * | . | trans | -81 | 129.6 | 170.2 | -171.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 317 | I | 91.9 | Very high | 91.6 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | trans | -124.3 | 136.8 | -175.5 | -49.5 | 179.6 | 0 | 0 | 0 | 108.8 | L280 P283 F287 L312 S322 Y350 | L280-I317 HydrophobicContact CD1-CD1 4.47Å; L280-I317 HydrophobicContact CD2-CD1 4.32Å; L280-I317 HydrophobicContact CD2-CG1 3.85Å; P283-I317 HydrophobicContact CB-CG2 4.21Å; F287-I317 HydrophobicContact CE2-CG2 3.68Å; F287-I317 HydrophobicContact CZ-CD1 4.15Å; F287-I317 HydrophobicContact CZ-CG2 3.89Å; L312-I317 HydrophobicContact CD2-CD1 3.36Å; I317-S322 WeakPolarHBondContact CG2-OG 3.33Å; I317-Y350 PolarHBondContact N-OH 3.39Å; I317-Y350 VanDerWaalsContact O-CZ 3.27Å; I317-Y350 PolarHBondContact O-OH 2.99Å | ||
| 318 | P | 92.6 | Very high | 91.6 | Very high | 64 Ų | 64 | 39.4 Ų | 39.4 | 42% | 0.416 | 23% | 0.226 | S | C | . | . | trans | -59.4 | 141 | 173.1 | -24.3 | 34.7 | 0 | 0 | 0 | 112.4 | P283 L320 H321 S322 | P283-P318 HydrophobicContact CG-CG 4.04Å; P318-L320 PolarHBondContact O-N 2.84Å; P318-H321 PolarHBondContact O-N 2.96Å; P318-S322 PolarHBondContact O-N 3.17Å; P318-S322 VanDerWaalsContact O-N 3.11Å; P318-S322 PolarHBondContact O-OG 3.37Å; P318-S322 VanDerWaalsContact O-OG 3.04Å | ||
| 319 | V | 90.8 | Very high | 91.5 | Very high | 55 Ų | 55 | 39.5 Ų | 39.5 | 33% | 0.333 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.1 | -43.5 | -175.5 | 179.3 | 0 | 0 | 0 | 0 | 112.1 | H321 S322 S323 Y350 A351 | V319-H321 PolarHBondContact O-N 2.72Å; V319-S322 PolarHBondContact O-N 3.3Å; V319-S323 VanDerWaalsContact O-CB 3.26Å; V319-S323 WeakPolarHBondContact O-CB 3.45Å; V319-S323 PolarHBondContact O-N 3.35Å; V319-S323 PolarHBondContact O-OG 3.01Å; V319-Y350 HydrophobicContact CG1-CG 4.43Å; V319-Y350 HydrophobicContact CG2-CD1 3.65Å; V319-Y350 HydrophobicContact CG2-CE1 4.19Å; V319-Y350 HydrophobicContact CG2-CG 3.89Å; V319-A351 WeakPolarHBondContact CG1-O 3.15Å |
| 320 | L | 92 | Very high | 91.5 | Very high | 130 Ų | 130 | 39.9 Ų | 39.9 | 68% | 0.681 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -61.1 | -43.5 | -178.5 | -66.6 | 177.9 | 0 | 0 | 0 | 112.5 | P318 S323 A324 | P318-L320 PolarHBondContact O-N 2.84Å; L320-S323 PolarHBondContact O-N 2.87Å; L320-A324 PolarHBondContact O-N 3.35Å |
| 321 | H | 91.9 | Very high | 91.3 | Very high | 56 Ų | 56 | 44 Ų | 44 | 26% | 0.259 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.5 | -42.2 | 178.4 | -67.5 | 88.7 | 0 | 0 | 0 | 111.3 | P283 G284 F287 P318 V319 S323 A324 A325 | P283-H321 HydrophobicContact CB-CB 4.04Å; P283-H321 HydrophobicContact CG-CB 4.41Å; G284-H321 PolarHBondContact N-CD2 2.92Å; F287-H321 HydrophobicContact CD2-CB 4.09Å; F287-H321 HydrophobicContact CE2-CB 3.86Å; P318-H321 PolarHBondContact O-N 2.96Å; V319-H321 PolarHBondContact O-N 2.72Å; H321-S323 VanDerWaalsContact C-N 3.34Å; H321-A324 PolarHBondContact O-N 3.19Å; H321-A325 WeakPolarHBondContact O-CB 3.27Å; H321-A325 PolarHBondContact O-N 3.45Å |
| 322 | S | 92.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 176 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | I317 P318 V319 A325 M326 Y350 | I317-S322 WeakPolarHBondContact CG2-OG 3.33Å; P318-S322 PolarHBondContact O-N 3.17Å; P318-S322 VanDerWaalsContact O-N 3.11Å; P318-S322 PolarHBondContact O-OG 3.37Å; P318-S322 VanDerWaalsContact O-OG 3.04Å; V319-S322 PolarHBondContact O-N 3.3Å; S322-A325 PolarHBondContact O-N 3.39Å; S322-M326 WeakPolarHBondContact O-CE 3.4Å; S322-M326 WeakPolarHBondContact O-CG 3.43Å; S322-M326 PolarHBondContact O-N 3.22Å; S322-Y350 WeakPolarHBondContact OG-CE2 3.43Å |
| 323 | S | 91.7 | Very high | 90.3 | Very high | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 177.7 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | V319 L320 H321 A325 M326 L327 P353 | V319-S323 VanDerWaalsContact O-CB 3.26Å; V319-S323 WeakPolarHBondContact O-CB 3.45Å; V319-S323 PolarHBondContact O-N 3.35Å; V319-S323 PolarHBondContact O-OG 3.01Å; L320-S323 PolarHBondContact O-N 2.87Å; H321-S323 VanDerWaalsContact C-N 3.34Å; S323-A325 VanDerWaalsContact C-N 3.33Å; S323-A325 PolarHBondContact O-N 3.19Å; S323-M326 PolarHBondContact O-N 3.32Å; S323-L327 PolarHBondContact O-N 2.85Å; S323-P353 WeakPolarHBondContact OG-CD 3.44Å |
| 324 | A | 92.2 | Very high | 89.6 | Confident | 61 Ų | 61 | 52.6 Ų | 52.6 | 50% | 0.504 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L320 H321 K328 | L320-A324 PolarHBondContact O-N 3.35Å; H321-A324 PolarHBondContact O-N 3.19Å; A324-K328 PolarHBondContact O-N 3.49Å; A324-K328 VanDerWaalsContact O-N 3.11Å |
| 325 | A | 92.1 | Very high | 88.9 | Confident | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F287 H321 S322 S323 L327 K328 L329 | F287-A325 HydrophobicContact CB-CB 4.45Å; F287-A325 HydrophobicContact CD1-CB 3.33Å; F287-A325 HydrophobicContact CD2-CB 4.28Å; F287-A325 HydrophobicContact CE1-CB 3.43Å; F287-A325 VanDerWaalsContact CE1-CB 3.43Å; F287-A325 HydrophobicContact CE2-CB 4.39Å; F287-A325 HydrophobicContact CG-CB 3.79Å; F287-A325 HydrophobicContact CZ-CB 3.99Å; H321-A325 WeakPolarHBondContact O-CB 3.27Å; H321-A325 PolarHBondContact O-N 3.45Å; S322-A325 PolarHBondContact O-N 3.39Å; S323-A325 VanDerWaalsContact C-N 3.33Å; S323-A325 PolarHBondContact O-N 3.19Å; A325-L327 PolarHBondContact O-N 3.41Å; A325-K328 PolarHBondContact O-N 2.98Å; A325-L329 WeakPolarHBondContact O-CB 3.43Å; A325-L329 VanDerWaalsContact O-CG 3.28Å; A325-L329 WeakPolarHBondContact O-CG 2.99Å; A325-L329 PolarHBondContact O-N 3.15Å |
| 326 | M | 91.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.8 | -43.7 | 176 | -79.4 | -177.1 | -87.4 | 0 | 0 | 112.2 | S322 S323 K328 L329 A330 L342 L345 L346 L352 V356 | S322-M326 WeakPolarHBondContact O-CE 3.4Å; S322-M326 WeakPolarHBondContact O-CG 3.43Å; S322-M326 PolarHBondContact O-N 3.22Å; S323-M326 PolarHBondContact O-N 3.32Å; M326-K328 PolarHBondContact O-N 3.03Å; M326-L329 PolarHBondContact O-N 3.47Å; M326-A330 WeakPolarHBondContact O-CB 3.49Å; M326-A330 PolarHBondContact O-N 2.92Å; M326-L342 HydrophobicContact CB-CD1 4.49Å; M326-L342 HydrophobicContact CG-CD1 4.36Å; M326-L345 HydrophobicContact CE-CB 4.33Å; M326-L345 HydrophobicContact CG-CB 3.71Å; M326-L345 HydrophobicContact CG-CD1 3.73Å; M326-L345 HydrophobicContact CG-CG 4.32Å; M326-L345 HydrophobicContact SD-CB 3.77Å; M326-L346 HydrophobicContact SD-CD2 4.18Å; M326-L352 HydrophobicContact CE-CD2 3.36Å; M326-L352 HydrophobicContact SD-CD1 4.42Å; M326-L352 HydrophobicContact SD-CD2 4.15Å; M326-V356 HydrophobicContact CB-CG1 3.95Å |
| 327 | L | 92.7 | Very high | 87.8 | Confident | 27 Ų | 27 | 40 Ų | 40 | 14% | 0.141 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.4 | -47.5 | 176.3 | -174.7 | 155.2 | 0 | 0 | 0 | 110.9 | S323 A325 L329 A330 E331 R355 V356 A359 | S323-L327 PolarHBondContact O-N 2.85Å; A325-L327 PolarHBondContact O-N 3.41Å; L327-L329 VanDerWaalsContact C-N 3.35Å; L327-L329 PolarHBondContact O-N 3.48Å; L327-A330 PolarHBondContact O-N 3.39Å; L327-E331 VanDerWaalsContact CD2-CD 3.46Å; L327-E331 HydrophobicContact CD2-CG 4.3Å; L327-E331 VanDerWaalsContact CD2-OE1 3.25Å; L327-E331 WeakPolarHBondContact CD2-OE1 3.3Å; L327-E331 WeakPolarHBondContact O-CG 3.24Å; L327-E331 PolarHBondContact O-N 3.01Å; L327-R355 HydrophobicContact CD1-CG 4.3Å; L327-V356 HydrophobicContact CB-CG2 4.38Å; L327-V356 HydrophobicContact CD1-CG2 4.34Å; L327-A359 HydrophobicContact CG-CB 4.45Å |
| 328 | K | 91.8 | Very high | 87.5 | Confident | 74 Ų | 74 | 40.1 Ų | 40.1 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.3 | -39 | 178 | -174.3 | 58.5 | 178.8 | 172.9 | 0 | 112.1 | I292 E296 A324 A325 M326 A330 E331 M332 | I292-K328 HydrophobicContact CD1-CB 4.39Å; I292-K328 HydrophobicContact CD1-CG 4.09Å; I292-K328 HydrophobicContact CG1-CG 4.2Å; I292-K328 HydrophobicContact CG2-CG 4.13Å; E296-K328 WeakPolarHBondContact OE1-CE 3.41Å; E296-K328 IonicContact OE1-NZ 2.83Å; A324-K328 PolarHBondContact O-N 3.49Å; A324-K328 VanDerWaalsContact O-N 3.11Å; A325-K328 PolarHBondContact O-N 2.98Å; M326-K328 PolarHBondContact O-N 3.03Å; K328-A330 VanDerWaalsContact C-N 3.35Å; K328-E331 PolarHBondContact O-N 3.03Å; K328-M332 HydrophobicContact CG-CE 4.33Å; K328-M332 HydrophobicContact CG-SD 4.48Å; K328-M332 WeakPolarHBondContact O-CE 3.25Å; K328-M332 VanDerWaalsContact O-CG 3.24Å; K328-M332 WeakPolarHBondContact O-CG 3.45Å; K328-M332 PolarHBondContact O-N 3.5Å |
| 329 | L | 90.4 | Very high | 87.1 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.9 | -38.1 | 175.3 | -72.4 | 163.9 | 0 | 0 | 0 | 112.5 | L291 C295 A325 M326 L327 M332 F341 L342 L345 | L291-L329 HydrophobicContact CD2-CD1 4.11Å; C295-L329 HydrophobicContact CB-CD2 4.17Å; A325-L329 WeakPolarHBondContact O-CB 3.43Å; A325-L329 VanDerWaalsContact O-CG 3.28Å; A325-L329 WeakPolarHBondContact O-CG 2.99Å; A325-L329 PolarHBondContact O-N 3.15Å; M326-L329 PolarHBondContact O-N 3.47Å; L327-L329 VanDerWaalsContact C-N 3.35Å; L327-L329 PolarHBondContact O-N 3.48Å; L329-M332 HydrophobicContact CB-CE 4.35Å; L329-M332 HydrophobicContact CD2-CE 3.54Å; L329-M332 HydrophobicContact CG-CE 4.08Å; L329-F341 HydrophobicContact CD1-CB 4.15Å; L329-L342 HydrophobicContact CB-CD1 4.06Å; L329-L345 HydrophobicContact CD1-CD1 3.66Å |
| 330 | A | 89.6 | Confident | 87.1 | Confident | 8 Ų | 8 | 34.7 Ų | 34.7 | 7% | 0.066 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.5 | -34 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M326 L327 K328 L360 H363 | M326-A330 WeakPolarHBondContact O-CB 3.49Å; M326-A330 PolarHBondContact O-N 2.92Å; L327-A330 PolarHBondContact O-N 3.39Å; K328-A330 VanDerWaalsContact C-N 3.35Å; A330-L360 HydrophobicContact CB-CD2 4.2Å; A330-H363 HydrophobicContact CB-CB 3.96Å; A330-H363 PolarHBondContact O-ND1 3.16Å |
| 331 | E | 89 | Confident | 87.1 | Confident | 122 Ų | 122 | 28.5 Ų | 28.5 | 57% | 0.57 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -77.7 | -18.4 | 177.4 | -71.3 | 177 | 170.5 | 0 | 0 | 113.8 | L327 K328 | L327-E331 VanDerWaalsContact CD2-CD 3.46Å; L327-E331 HydrophobicContact CD2-CG 4.3Å; L327-E331 VanDerWaalsContact CD2-OE1 3.25Å; L327-E331 WeakPolarHBondContact CD2-OE1 3.3Å; L327-E331 WeakPolarHBondContact O-CG 3.24Å; L327-E331 PolarHBondContact O-N 3.01Å; K328-E331 PolarHBondContact O-N 3.03Å |
| 332 | M | 84.3 | Confident | 87 | Confident | 24 Ų | 24 | 26 Ų | 26 | 12% | 0.118 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -78.4 | 161.3 | -179.9 | -77.4 | -175 | -60.5 | 0 | 0 | 112.6 | C295 E296 K328 L329 | C295-M332 HydrophobicContact CB-CE 3.8Å; C295-M332 HydrophobicContact CB-SD 4.39Å; E296-M332 HydrophobicContact CB-SD 4.48Å; E296-M332 HydrophobicContact CG-SD 3.34Å; E296-M332 WeakPolarHBondContact CG-SD 3.34Å; K328-M332 HydrophobicContact CG-CE 4.33Å; K328-M332 HydrophobicContact CG-SD 4.48Å; K328-M332 WeakPolarHBondContact O-CE 3.25Å; K328-M332 VanDerWaalsContact O-CG 3.24Å; K328-M332 WeakPolarHBondContact O-CG 3.45Å; K328-M332 PolarHBondContact O-N 3.5Å; L329-M332 HydrophobicContact CB-CE 4.35Å; L329-M332 HydrophobicContact CD2-CE 3.54Å; L329-M332 HydrophobicContact CG-CE 4.08Å |
| 333 | E | 77.9 | Confident | 86.9 | Confident | 167 Ų | 167 | 27.5 Ų | 27.5 | 78% | 0.78 | 14% | 0.14 | S | C | * | . | P | Polyproline II helix | trans | -58.4 | 144.3 | 173.4 | -67.6 | -175.1 | 175.7 | 0 | 0 | 111.3 | N335 N338 | E333-N335 PolarHBondContact O-N 3.19Å; E333-N338 PolarHBondContact O-ND2 3.42Å |
| 334 | Y | 76.9 | Confident | 86.9 | Confident | 28 Ų | 28 | 27.4 Ų | 27.4 | 11% | 0.11 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 122.1 | -179.5 | -175.9 | -106.1 | 0 | 0 | 0 | 111.7 | F136 S339 F367 W378 | F136-Y334 HydrophobicContact CB-CD1 3.96Å; F136-Y334 HydrophobicContact CB-CE1 3.94Å; F136-Y334 AromaticContact CD1-CD1 3.36Å; F136-Y334 HydrophobicContact CD1-CD1 3.36Å; F136-Y334 AromaticContact CD1-CE1 3.56Å; F136-Y334 HydrophobicContact CD1-CE1 3.56Å; F136-Y334 AromaticContact CD2-CE1 3.91Å; F136-Y334 HydrophobicContact CD2-CE1 3.91Å; F136-Y334 AromaticContact CE1-CD1 3.89Å; F136-Y334 HydrophobicContact CE1-CD1 3.89Å; F136-Y334 AromaticContact CE1-CE1 3.94Å; F136-Y334 HydrophobicContact CE1-CE1 3.94Å; F136-Y334 HydrophobicContact CE2-CE1 4.31Å; F136-Y334 AromaticContact CG-CD1 3.71Å; F136-Y334 HydrophobicContact CG-CD1 3.71Å; F136-Y334 AromaticContact CG-CE1 3.54Å; F136-Y334 HydrophobicContact CG-CE1 3.54Å; F136-Y334 HydrophobicContact CZ-CE1 4.31Å; Y334-S339 WeakPolarHBondContact CE2-OG 3.4Å; Y334-S339 PolarHBondContact OH-OG 2.83Å; Y334-S339 VanDerWaalsContact OH-OG 3.05Å; Y334-F367 AromaticContact CD1-CE1 3.79Å; Y334-F367 HydrophobicContact CD1-CE1 3.79Å; Y334-F367 HydrophobicContact CD1-CZ 4.21Å; Y334-F367 AromaticContact CD2-CE1 3.65Å; Y334-F367 HydrophobicContact CD2-CE1 3.65Å; Y334-F367 HydrophobicContact CD2-CE2 4.19Å; Y334-F367 AromaticContact CD2-CZ 3.19Å; Y334-F367 HydrophobicContact CD2-CZ 3.19Å; Y334-F367 HydrophobicContact CE1-CE1 4.38Å; Y334-F367 HydrophobicContact CE2-CE1 4.24Å; Y334-F367 AromaticContact CE2-CZ 3.89Å; Y334-F367 HydrophobicContact CE2-CZ 3.89Å; Y334-F367 AromaticContact CG-CE1 3.37Å; Y334-F367 HydrophobicContact CG-CE1 3.37Å; Y334-F367 AromaticContact CG-CZ 3.36Å; Y334-F367 HydrophobicContact CG-CZ 3.36Å; Y334-W378 AromaticContact CE2-CD1 3.54Å; Y334-W378 AromaticContact CZ-CD1 3.77Å |
| 335 | N | 75.9 | Confident | 86.9 | Confident | 7 Ų | 7 | 24.6 Ų | 24.6 | 4% | 0.037 | 12% | 0.116 | C | C | . | . | trans | -128.1 | 139.5 | 166.9 | 179.1 | -16.9 | 0 | 0 | 0 | 106.7 | M137 E333 A337 N338 S339 | M137-N335 WeakPolarHBondContact CE-OD1 3.48Å; M137-N335 PolarHBondContact SD-ND2 3.11Å; M137-N335 PolarHBondContact SD-OD1 3.07Å; E333-N335 PolarHBondContact O-N 3.19Å; N335-A337 PolarHBondContact O-N 3.42Å; N335-A337 VanDerWaalsContact O-N 3.14Å; N335-A337 PolarHBondContact OD1-N 3Å; N335-N338 HydrophobicContact CB-CB 4.48Å; N335-N338 WeakPolarHBondContact O-CA 3.32Å; N335-N338 VanDerWaalsContact O-CB 3.3Å; N335-N338 WeakPolarHBondContact O-CB 3.38Å; N335-N338 PolarHBondContact O-N 3.05Å; N335-S339 PolarHBondContact O-N 3.04Å | ||
| 336 | G | 74.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58 | -27 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | N338 S339 | G336-N338 VanDerWaalsContact C-N 3.35Å; G336-S339 WeakPolarHBondContact O-CB 3.22Å; G336-S339 PolarHBondContact O-N 2.87Å |
| 337 | A | 81.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.6 | -33.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | M137 C300 A305 N335 S339 I340 F341 | M137-A337 HydrophobicContact CE-CB 4.16Å; C300-A337 HydrophobicContact CB-CB 4Å; A305-A337 HydrophobicContact CB-CB 3.84Å; N335-A337 PolarHBondContact O-N 3.42Å; N335-A337 VanDerWaalsContact O-N 3.14Å; N335-A337 PolarHBondContact OD1-N 3Å; A337-S339 VanDerWaalsContact C-N 3.33Å; A337-S339 PolarHBondContact O-N 2.98Å; A337-I340 PolarHBondContact O-N 3.27Å; A337-F341 VanDerWaalsContact O-CD2 3.28Å; A337-F341 WeakPolarHBondContact O-CD2 3.1Å; A337-F341 PolarHBondContact O-N 3.18Å |
| 338 | N | 85.6 | Confident | 86.5 | Confident | 8 Ų | 8 | 27.9 Ų | 27.9 | 4% | 0.043 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.6 | -36.5 | 177.6 | -66.6 | -6.7 | 0 | 0 | 0 | 111.1 | C295 E333 N335 G336 I340 F341 L342 | C295-N338 VanDerWaalsContact CB-OD1 3.24Å; C295-N338 WeakPolarHBondContact CB-OD1 3.27Å; C295-N338 PolarHBondContact SG-OD1 3.25Å; E333-N338 PolarHBondContact O-ND2 3.42Å; N335-N338 HydrophobicContact CB-CB 4.48Å; N335-N338 WeakPolarHBondContact O-CA 3.32Å; N335-N338 VanDerWaalsContact O-CB 3.3Å; N335-N338 WeakPolarHBondContact O-CB 3.38Å; N335-N338 PolarHBondContact O-N 3.05Å; G336-N338 VanDerWaalsContact C-N 3.35Å; N338-I340 VanDerWaalsContact C-N 3.27Å; N338-I340 PolarHBondContact O-N 3.27Å; N338-F341 PolarHBondContact O-N 3.34Å; N338-L342 WeakPolarHBondContact O-CB 3.42Å; N338-L342 PolarHBondContact O-N 3.03Å |
| 339 | S | 85.2 | Confident | 86.3 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 4% | 0.035 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59 | -38 | 175.9 | -57.8 | 0 | 0 | 0 | 0 | 112.7 | Y334 N335 G336 A337 L342 R343 | Y334-S339 WeakPolarHBondContact CE2-OG 3.4Å; Y334-S339 PolarHBondContact OH-OG 2.83Å; Y334-S339 VanDerWaalsContact OH-OG 3.05Å; N335-S339 PolarHBondContact O-N 3.04Å; G336-S339 WeakPolarHBondContact O-CB 3.22Å; G336-S339 PolarHBondContact O-N 2.87Å; A337-S339 VanDerWaalsContact C-N 3.33Å; A337-S339 PolarHBondContact O-N 2.98Å; S339-L342 PolarHBondContact O-N 3.46Å; S339-R343 WeakPolarHBondContact O-CB 3.41Å; S339-R343 PolarHBondContact O-N 2.75Å |
| 340 | I | 89.3 | Confident | 86.1 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.9 | -51.9 | 177.4 | -62.1 | 170.9 | 0 | 0 | 0 | 109.2 | V123 L302 A305 I306 A337 N338 L342 R343 L344 L377 | V123-I340 HydrophobicContact CG1-CG1 4.38Å; V123-I340 HydrophobicContact CG2-CG2 4.21Å; L302-I340 HydrophobicContact CD2-CD1 3.76Å; A305-I340 HydrophobicContact CB-CB 4.47Å; A305-I340 HydrophobicContact CB-CD1 3.94Å; I306-I340 HydrophobicContact CG1-CD1 4.31Å; A337-I340 PolarHBondContact O-N 3.27Å; N338-I340 VanDerWaalsContact C-N 3.27Å; N338-I340 PolarHBondContact O-N 3.27Å; I340-L342 VanDerWaalsContact C-N 3.31Å; I340-L342 PolarHBondContact O-N 2.71Å; I340-R343 PolarHBondContact O-N 3.41Å; I340-L344 HydrophobicContact CG2-CD1 3.82Å; I340-L344 HydrophobicContact CG2-CG 4.29Å; I340-L344 WeakPolarHBondContact O-CG 3.38Å; I340-L344 PolarHBondContact O-N 3.47Å; I340-L377 HydrophobicContact CD1-CD1 3.93Å; I340-L377 HydrophobicContact CG1-CD1 3.76Å |
| 341 | F | 91.6 | Very high | 86 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62 | -39.3 | 179.1 | -64.1 | -55.8 | 0 | 0 | 0 | 112.8 | L291 L294 A305 I308 L312 L329 A337 N338 L344 L345 | L291-F341 HydrophobicContact CD1-CB 4.45Å; L291-F341 HydrophobicContact CD1-CD1 3.6Å; L291-F341 HydrophobicContact CD1-CD2 3.74Å; L291-F341 HydrophobicContact CD1-CE1 3.55Å; L291-F341 HydrophobicContact CD1-CE2 3.69Å; L291-F341 HydrophobicContact CD1-CG 3.68Å; L291-F341 HydrophobicContact CD1-CZ 3.58Å; L294-F341 HydrophobicContact CD2-CE2 4.39Å; L294-F341 HydrophobicContact CD2-CZ 4.11Å; A305-F341 HydrophobicContact CB-CE2 4.06Å; A305-F341 HydrophobicContact CB-CZ 3.96Å; A305-F341 WeakPolarHBondContact O-CE1 3.38Å; I308-F341 HydrophobicContact CB-CE1 4.05Å; I308-F341 HydrophobicContact CB-CZ 4.23Å; I308-F341 HydrophobicContact CG2-CE1 3.93Å; I308-F341 HydrophobicContact CG2-CZ 4.25Å; L312-F341 HydrophobicContact CD1-CD1 3.81Å; L312-F341 HydrophobicContact CD1-CE1 4.37Å; L329-F341 HydrophobicContact CD1-CB 4.15Å; A337-F341 VanDerWaalsContact O-CD2 3.28Å; A337-F341 WeakPolarHBondContact O-CD2 3.1Å; A337-F341 PolarHBondContact O-N 3.18Å; N338-F341 PolarHBondContact O-N 3.34Å; F341-L344 PolarHBondContact O-N 3.05Å; F341-L345 WeakPolarHBondContact O-CB 3.45Å; F341-L345 VanDerWaalsContact O-CG 3.26Å; F341-L345 WeakPolarHBondContact O-CG 3.32Å; F341-L345 PolarHBondContact O-N 3.14Å |
| 342 | L | 90.6 | Very high | 85.9 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.4 | -47.2 | 177.9 | -154.6 | 66 | 0 | 0 | 0 | 111.2 | M326 L329 N338 S339 I340 L344 L345 L346 L360 F364 | M326-L342 HydrophobicContact CB-CD1 4.49Å; M326-L342 HydrophobicContact CG-CD1 4.36Å; L329-L342 HydrophobicContact CB-CD1 4.06Å; N338-L342 WeakPolarHBondContact O-CB 3.42Å; N338-L342 PolarHBondContact O-N 3.03Å; S339-L342 PolarHBondContact O-N 3.46Å; I340-L342 VanDerWaalsContact C-N 3.31Å; I340-L342 PolarHBondContact O-N 2.71Å; L342-L344 PolarHBondContact O-N 2.78Å; L342-L345 PolarHBondContact O-N 3.1Å; L342-L346 VanDerWaalsContact O-CG 3.28Å; L342-L346 WeakPolarHBondContact O-CG 3.46Å; L342-L346 PolarHBondContact O-N 3.47Å; L342-L360 HydrophobicContact CD1-CD2 3.58Å; L342-L360 HydrophobicContact CD2-CD2 3.79Å; L342-L360 HydrophobicContact CG-CD2 3.87Å; L342-F364 HydrophobicContact CD2-CE2 4.39Å; L342-F364 HydrophobicContact CD2-CZ 4.18Å |
| 343 | R | 90.8 | Very high | 86.3 | Confident | 30 Ų | 30 | 33.2 Ų | 33.2 | 11% | 0.113 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.2 | -50.5 | 175.6 | -171.9 | -172.5 | 114.9 | 178.6 | 0.4 | 111.2 | S339 I340 L345 L346 D347 | S339-R343 WeakPolarHBondContact O-CB 3.41Å; S339-R343 PolarHBondContact O-N 2.75Å; I340-R343 PolarHBondContact O-N 3.41Å; R343-L345 VanDerWaalsContact C-N 3.3Å; R343-L345 PolarHBondContact O-N 2.97Å; R343-L346 PolarHBondContact O-N 3.36Å; R343-L346 VanDerWaalsContact O-N 3.15Å; R343-D347 IonicContact NE-OD2 3.22Å; R343-D347 PolarHBondContact O-N 2.79Å |
| 344 | L | 91.9 | Very high | 86.8 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.7 | -31.7 | -176.9 | -63.9 | 178.1 | 0 | 0 | 0 | 113.1 | V123 T313 I340 F341 L342 | V123-L344 HydrophobicContact CG2-CD2 4.06Å; T313-L344 HydrophobicContact CG2-CB 4.17Å; T313-L344 HydrophobicContact CG2-CD1 4.32Å; T313-L344 HydrophobicContact CG2-CD2 3.63Å; T313-L344 HydrophobicContact CG2-CG 4.24Å; I340-L344 HydrophobicContact CG2-CD1 3.82Å; I340-L344 HydrophobicContact CG2-CG 4.29Å; I340-L344 WeakPolarHBondContact O-CG 3.38Å; I340-L344 PolarHBondContact O-N 3.47Å; F341-L344 PolarHBondContact O-N 3.05Å; L342-L344 PolarHBondContact O-N 2.78Å |
| 345 | L | 91.3 | Very high | 87.6 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.6 | -36.2 | 173.9 | -71.7 | 169.3 | 0 | 0 | 0 | 111.9 | F287 L312 M326 L329 F341 L342 R343 K348 | F287-L345 HydrophobicContact CE1-CD2 4.48Å; F287-L345 HydrophobicContact CZ-CD2 4.48Å; L312-L345 HydrophobicContact CD2-CD2 4.37Å; M326-L345 HydrophobicContact CE-CB 4.33Å; M326-L345 HydrophobicContact CG-CB 3.71Å; M326-L345 HydrophobicContact CG-CD1 3.73Å; M326-L345 HydrophobicContact CG-CG 4.32Å; M326-L345 HydrophobicContact SD-CB 3.77Å; L329-L345 HydrophobicContact CD1-CD1 3.66Å; F341-L345 WeakPolarHBondContact O-CB 3.45Å; F341-L345 VanDerWaalsContact O-CG 3.26Å; F341-L345 WeakPolarHBondContact O-CG 3.32Å; F341-L345 PolarHBondContact O-N 3.14Å; L342-L345 PolarHBondContact O-N 3.1Å; R343-L345 VanDerWaalsContact C-N 3.3Å; R343-L345 PolarHBondContact O-N 2.97Å; L345-K348 WeakPolarHBondContact O-CB 3.44Å; L345-K348 PolarHBondContact O-N 2.93Å |
| 346 | L | 90.3 | Very high | 88.3 | Confident | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.8 | -35.9 | 172.9 | -68.7 | 169.9 | 0 | 0 | 0 | 112 | M326 L342 R343 K348 K349 L352 L360 T384 L385 | M326-L346 HydrophobicContact SD-CD2 4.18Å; L342-L346 VanDerWaalsContact O-CG 3.28Å; L342-L346 WeakPolarHBondContact O-CG 3.46Å; L342-L346 PolarHBondContact O-N 3.47Å; R343-L346 PolarHBondContact O-N 3.36Å; R343-L346 VanDerWaalsContact O-N 3.15Å; L346-K348 PolarHBondContact O-N 3.43Å; L346-K348 VanDerWaalsContact O-N 3.1Å; L346-K349 PolarHBondContact O-N 3.5Å; L346-L352 HydrophobicContact CD2-CD1 3.89Å; L346-L360 HydrophobicContact CD2-CD1 4Å; L346-T384 HydrophobicContact CB-CG2 3.77Å; L346-L385 HydrophobicContact CD1-CB 4.08Å; L346-L385 HydrophobicContact CD1-CD1 4.27Å; L346-L385 HydrophobicContact CD2-CD1 3.97Å |
| 347 | D | 90.8 | Very high | 89.1 | Confident | 50 Ų | 50 | 37.9 Ų | 37.9 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -15.8 | 175.9 | -85.7 | -33.5 | 0 | 0 | 0 | 113.6 | R343 K349 T384 | R343-D347 IonicContact NE-OD2 3.22Å; R343-D347 PolarHBondContact O-N 2.79Å; D347-K349 WeakPolarHBondContact O-CG 3.48Å; D347-K349 PolarHBondContact O-N 3.27Å; D347-T384 WeakPolarHBondContact OD1-CG2 3.34Å |
| 348 | K | 88.1 | Confident | 89.6 | Confident | 42 Ų | 42 | 40.9 Ų | 40.9 | 18% | 0.183 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -12.7 | 172.5 | -68.5 | -64.3 | -167.9 | 171.4 | 0 | 114.4 | L312 T313 C315 L345 L346 Y350 | L312-K348 WeakPolarHBondContact O-CE 3.36Å; L312-K348 PolarHBondContact O-NZ 3.18Å; T313-K348 VanDerWaalsContact C-NZ 3.31Å; T313-K348 PolarHBondContact O-NZ 2.98Å; C315-K348 PolarHBondContact O-NZ 3.38Å; L345-K348 WeakPolarHBondContact O-CB 3.44Å; L345-K348 PolarHBondContact O-N 2.93Å; L346-K348 PolarHBondContact O-N 3.43Å; L346-K348 VanDerWaalsContact O-N 3.1Å; K348-Y350 VanDerWaalsContact C-N 3.25Å; K348-Y350 HydrophobicContact CB-CD1 4.42Å; K348-Y350 HydrophobicContact CB-CD2 3.6Å; K348-Y350 HydrophobicContact CB-CE1 4.2Å; K348-Y350 HydrophobicContact CB-CE2 3.33Å; K348-Y350 HydrophobicContact CB-CG 4.14Å; K348-Y350 HydrophobicContact CD-CE2 4.48Å; K348-Y350 HydrophobicContact CG-CD2 4.42Å; K348-Y350 HydrophobicContact CG-CE2 3.74Å; K348-Y350 PolarHBondContact O-N 3.39Å |
| 349 | K | 86.3 | Confident | 89.9 | Confident | 133 Ų | 133 | 41.4 Ų | 41.4 | 58% | 0.578 | 21% | 0.207 | S | C | * | . | trans | 55.8 | 38.5 | 176.5 | -41 | -177.5 | -167.5 | 179.3 | 0 | 113 | L346 D347 | L346-K349 PolarHBondContact O-N 3.5Å; D347-K349 WeakPolarHBondContact O-CG 3.48Å; D347-K349 PolarHBondContact O-N 3.27Å | ||
| 350 | Y | 87.3 | Confident | 90.2 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | trans | -75.3 | 149.7 | 173.7 | -63.1 | -44.1 | 0 | 0 | 0 | 111 | I317 V319 S322 K348 L352 | I317-Y350 PolarHBondContact N-OH 3.39Å; I317-Y350 VanDerWaalsContact O-CZ 3.27Å; I317-Y350 PolarHBondContact O-OH 2.99Å; V319-Y350 HydrophobicContact CG1-CG 4.43Å; V319-Y350 HydrophobicContact CG2-CD1 3.65Å; V319-Y350 HydrophobicContact CG2-CE1 4.19Å; V319-Y350 HydrophobicContact CG2-CG 3.89Å; S322-Y350 WeakPolarHBondContact OG-CE2 3.43Å; K348-Y350 VanDerWaalsContact C-N 3.25Å; K348-Y350 HydrophobicContact CB-CD1 4.42Å; K348-Y350 HydrophobicContact CB-CD2 3.6Å; K348-Y350 HydrophobicContact CB-CE1 4.2Å; K348-Y350 HydrophobicContact CB-CE2 3.33Å; K348-Y350 HydrophobicContact CB-CG 4.14Å; K348-Y350 HydrophobicContact CD-CE2 4.48Å; K348-Y350 HydrophobicContact CG-CD2 4.42Å; K348-Y350 HydrophobicContact CG-CE2 3.74Å; K348-Y350 PolarHBondContact O-N 3.39Å; Y350-L352 PolarHBondContact O-N 3.48Å | ||
| 351 | A | 86.6 | Confident | 90.4 | Very high | 85 Ų | 85 | 41.3 Ų | 41.3 | 70% | 0.702 | 21% | 0.206 | S | C | * | . | trans | -70.6 | 114.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | V319 | V319-A351 WeakPolarHBondContact CG1-O 3.15Š| ||
| 352 | L | 87.5 | Confident | 90.4 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 9% | 0.094 | 23% | 0.23 | C | C | . | . | trans | -93.6 | 140 | -173.9 | -61.6 | -179.8 | 0 | 0 | 0 | 111.1 | M326 L346 Y350 L357 L360 | M326-L352 HydrophobicContact CE-CD2 3.36Å; M326-L352 HydrophobicContact SD-CD1 4.42Å; M326-L352 HydrophobicContact SD-CD2 4.15Å; L346-L352 HydrophobicContact CD2-CD1 3.89Å; Y350-L352 PolarHBondContact O-N 3.48Å; L352-L357 HydrophobicContact CB-CD1 4.49Å; L352-L357 HydrophobicContact CB-CD2 4.21Å; L352-L357 HydrophobicContact CB-CG 4.05Å; L352-L357 HydrophobicContact CD1-CD2 3.87Å; L352-L360 HydrophobicContact CD1-CD1 4.1Å | ||
| 353 | P | 91.8 | Very high | 90.4 | Very high | 58 Ų | 58 | 44.8 Ų | 44.8 | 38% | 0.377 | 23% | 0.232 | S | C | . | . | trans | -61.1 | 140.8 | 168.4 | -20.1 | 31.7 | 0 | 0 | 0 | 111.1 | S323 R355 V356 L357 | S323-P353 WeakPolarHBondContact OG-CD 3.44Å; P353-R355 PolarHBondContact O-N 2.96Å; P353-R355 VanDerWaalsContact O-N 3.15Å; P353-V356 HydrophobicContact CB-CG2 4.23Å; P353-V356 HydrophobicContact CG-CG2 4.25Å; P353-V356 WeakPolarHBondContact O-CA 3.26Å; P353-V356 WeakPolarHBondContact O-CB 3.37Å; P353-V356 PolarHBondContact O-N 3.32Å; P353-L357 PolarHBondContact O-N 2.84Å | ||
| 354 | F | 90.3 | Very high | 90.4 | Very high | 113 Ų | 113 | 43.4 Ų | 43.4 | 50% | 0.496 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.1 | -37.7 | -177.6 | -61.8 | -51.5 | 0 | 0 | 0 | 113.5 | V356 L357 D358 D392 | F354-V356 PolarHBondContact O-N 3.01Å; F354-L357 HydrophobicContact CD1-CD1 4.14Å; F354-L357 WeakPolarHBondContact O-CB 3.27Å; F354-L357 PolarHBondContact O-N 2.98Å; F354-D358 PolarHBondContact O-N 3.29Å; F354-D392 HydrophobicContact CE1-CB 4.34Å |
| 355 | R | 91.8 | Very high | 90.3 | Very high | 179 Ų | 179 | 45.7 Ų | 45.7 | 68% | 0.675 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -56.4 | -36.1 | 174.8 | -177.4 | -179.6 | 169.1 | -169.5 | -4 | 113 | L327 P353 A359 | L327-R355 HydrophobicContact CD1-CG 4.3Å; P353-R355 PolarHBondContact O-N 2.96Å; P353-R355 VanDerWaalsContact O-N 3.15Å; R355-A359 WeakPolarHBondContact O-CB 3.27Å; R355-A359 PolarHBondContact O-N 3.02Å; R355-A359 VanDerWaalsContact O-N 3.15Å |
| 356 | V | 92.2 | Very high | 90.1 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.3 | -40.4 | 178 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | M326 L327 P353 F354 A359 L360 | M326-V356 HydrophobicContact CB-CG1 3.95Å; L327-V356 HydrophobicContact CB-CG2 4.38Å; L327-V356 HydrophobicContact CD1-CG2 4.34Å; P353-V356 HydrophobicContact CB-CG2 4.23Å; P353-V356 HydrophobicContact CG-CG2 4.25Å; P353-V356 WeakPolarHBondContact O-CA 3.26Å; P353-V356 WeakPolarHBondContact O-CB 3.37Å; P353-V356 PolarHBondContact O-N 3.32Å; F354-V356 PolarHBondContact O-N 3.01Å; V356-A359 PolarHBondContact O-N 3.47Å; V356-L360 HydrophobicContact CG1-CD1 4.1Å; V356-L360 HydrophobicContact CG1-CG 4.45Å; V356-L360 VanDerWaalsContact O-CG 3.26Å; V356-L360 WeakPolarHBondContact O-CG 3.11Å; V356-L360 PolarHBondContact O-N 2.9Å |
| 357 | L | 90.9 | Very high | 90 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 174.2 | -70.7 | 171.5 | 0 | 0 | 0 | 111.6 | L352 P353 F354 A359 L360 V361 L385 C389 D392 | L352-L357 HydrophobicContact CB-CD1 4.49Å; L352-L357 HydrophobicContact CB-CD2 4.21Å; L352-L357 HydrophobicContact CB-CG 4.05Å; L352-L357 HydrophobicContact CD1-CD2 3.87Å; P353-L357 PolarHBondContact O-N 2.84Å; F354-L357 HydrophobicContact CD1-CD1 4.14Å; F354-L357 WeakPolarHBondContact O-CB 3.27Å; F354-L357 PolarHBondContact O-N 2.98Å; L357-A359 VanDerWaalsContact C-N 3.3Å; L357-A359 PolarHBondContact O-N 2.9Å; L357-L360 WeakPolarHBondContact O-CB 3.41Å; L357-L360 PolarHBondContact O-N 3.24Å; L357-V361 WeakPolarHBondContact O-CG2 3.32Å; L357-V361 PolarHBondContact O-N 2.9Å; L357-L385 HydrophobicContact CD2-CD1 4.35Å; L357-C389 HydrophobicContact CD2-CB 3.66Å; L357-C389 VanDerWaalsContact CD2-SG 3.59Å; L357-D392 HydrophobicContact CD1-CB 3.51Å |
| 358 | D | 91.7 | Very high | 89.8 | Confident | 63 Ų | 63 | 52.7 Ų | 52.7 | 34% | 0.337 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 178 | -59.2 | -25.5 | 0 | 0 | 0 | 111 | F354 V361 A362 Q397 R427 | F354-D358 PolarHBondContact O-N 3.29Å; D358-V361 PolarHBondContact O-N 3.44Å; D358-A362 VanDerWaalsContact O-CB 3.29Å; D358-A362 WeakPolarHBondContact O-CB 3.48Å; D358-A362 PolarHBondContact O-N 3.31Å; D358-Q397 PolarHBondContact OD1-NE2 3.15Å; D358-R427 IonicContact OD1-NH1 3.94Å |
| 359 | A | 92.6 | Very high | 89.5 | Confident | 20 Ų | 20 | 55.7 Ų | 55.7 | 17% | 0.165 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L327 R355 V356 L357 A362 H363 | L327-A359 HydrophobicContact CG-CB 4.45Å; R355-A359 WeakPolarHBondContact O-CB 3.27Å; R355-A359 PolarHBondContact O-N 3.02Å; R355-A359 VanDerWaalsContact O-N 3.15Å; V356-A359 PolarHBondContact O-N 3.47Å; L357-A359 VanDerWaalsContact C-N 3.3Å; L357-A359 PolarHBondContact O-N 2.9Å; A359-A362 PolarHBondContact O-N 3.42Å; A359-H363 WeakPolarHBondContact O-CB 3.26Å; A359-H363 PolarHBondContact O-N 2.83Å |
| 360 | L | 91.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 175.4 | -72.9 | 165.8 | 0 | 0 | 0 | 111.3 | A330 L342 L346 L352 V356 L357 H363 F364 L385 | A330-L360 HydrophobicContact CB-CD2 4.2Å; L342-L360 HydrophobicContact CD1-CD2 3.58Å; L342-L360 HydrophobicContact CD2-CD2 3.79Å; L342-L360 HydrophobicContact CG-CD2 3.87Å; L346-L360 HydrophobicContact CD2-CD1 4Å; L352-L360 HydrophobicContact CD1-CD1 4.1Å; V356-L360 HydrophobicContact CG1-CD1 4.1Å; V356-L360 HydrophobicContact CG1-CG 4.45Å; V356-L360 VanDerWaalsContact O-CG 3.26Å; V356-L360 WeakPolarHBondContact O-CG 3.11Å; V356-L360 PolarHBondContact O-N 2.9Å; L357-L360 WeakPolarHBondContact O-CB 3.41Å; L357-L360 PolarHBondContact O-N 3.24Å; L360-H363 WeakPolarHBondContact O-CB 3.28Å; L360-H363 PolarHBondContact O-N 3.27Å; L360-F364 WeakPolarHBondContact O-CD2 3.38Å; L360-F364 PolarHBondContact O-N 3.13Å; L360-L385 HydrophobicContact CB-CD1 4.39Å; L360-L385 HydrophobicContact CD1-CD1 4.05Å |
| 361 | V | 91.9 | Very high | 88.8 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.024 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 176.5 | 173.2 | 0 | 0 | 0 | 0 | 110.1 | L357 D358 H363 F364 L365 L393 Q397 L401 | L357-V361 WeakPolarHBondContact O-CG2 3.32Å; L357-V361 PolarHBondContact O-N 2.9Å; D358-V361 PolarHBondContact O-N 3.44Å; V361-H363 VanDerWaalsContact C-N 3.3Å; V361-H363 PolarHBondContact O-N 3.48Å; V361-F364 PolarHBondContact O-N 3.38Å; V361-L365 HydrophobicContact CG1-CD1 3.73Å; V361-L365 HydrophobicContact CG1-CG 4.16Å; V361-L365 WeakPolarHBondContact O-CB 3.37Å; V361-L365 VanDerWaalsContact O-CG 3.28Å; V361-L365 WeakPolarHBondContact O-CG 3.4Å; V361-L365 PolarHBondContact O-N 3Å; V361-L393 HydrophobicContact CG2-CD2 3.56Å; V361-Q397 HydrophobicContact CG1-CB 4.16Å; V361-Q397 HydrophobicContact CG1-CG 4.11Å; V361-L401 HydrophobicContact CG1-CD2 4.48Å; V361-L401 HydrophobicContact CG1-CG 4.5Å |
| 362 | A | 91.4 | Very high | 88.5 | Confident | 59 Ų | 59 | 59.7 Ų | 59.7 | 49% | 0.488 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.3 | -41.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D358 A359 L365 S366 | D358-A362 VanDerWaalsContact O-CB 3.29Å; D358-A362 WeakPolarHBondContact O-CB 3.48Å; D358-A362 PolarHBondContact O-N 3.31Å; A359-A362 PolarHBondContact O-N 3.42Å; A362-L365 PolarHBondContact O-N 3.01Å; A362-S366 PolarHBondContact O-N 3.36Å |
| 363 | H | 90.9 | Very high | 88 | Confident | 17 Ų | 17 | 64.4 Ų | 64.4 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.1 | -51 | 173.9 | 179 | 82 | 0 | 0 | 0 | 111.2 | A330 A359 L360 V361 L365 S366 F367 | A330-H363 HydrophobicContact CB-CB 3.96Å; A330-H363 PolarHBondContact O-ND1 3.16Å; A359-H363 WeakPolarHBondContact O-CB 3.26Å; A359-H363 PolarHBondContact O-N 2.83Å; L360-H363 WeakPolarHBondContact O-CB 3.28Å; L360-H363 PolarHBondContact O-N 3.27Å; V361-H363 VanDerWaalsContact C-N 3.3Å; V361-H363 PolarHBondContact O-N 3.48Å; H363-L365 PolarHBondContact O-N 3.11Å; H363-S366 WeakPolarHBondContact O-CB 3.47Å; H363-S366 PolarHBondContact O-N 3.5Å; H363-S366 PolarHBondContact O-OG 2.84Å; H363-F367 AromaticContact CD2-CE2 3.85Å; H363-F367 AromaticContact NE2-CE2 3.62Å; H363-F367 AromaticContact NE2-CZ 3.86Å; H363-F367 WeakPolarHBondContact O-CD2 3.14Å; H363-F367 WeakPolarHBondContact O-CE2 3.39Å |
| 364 | F | 90.4 | Very high | 87.6 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.009 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.9 | -37.4 | 178.4 | -73.7 | -68.1 | 0 | 0 | 0 | 113 | L342 L360 V361 S366 F367 W378 L382 L385 L401 L404 | L342-F364 HydrophobicContact CD2-CE2 4.39Å; L342-F364 HydrophobicContact CD2-CZ 4.18Å; L360-F364 WeakPolarHBondContact O-CD2 3.38Å; L360-F364 PolarHBondContact O-N 3.13Å; V361-F364 PolarHBondContact O-N 3.38Å; F364-S366 VanDerWaalsContact C-N 3.26Å; F364-S366 PolarHBondContact O-N 3.48Å; F364-F367 WeakPolarHBondContact O-CD2 3.42Å; F364-F367 PolarHBondContact O-N 3.01Å; F364-W378 AromaticContact CD1-CE2 3.7Å; F364-W378 HydrophobicContact CD1-CH2 4.45Å; F364-W378 AromaticContact CD1-CZ2 3.65Å; F364-W378 HydrophobicContact CD1-CZ2 3.65Å; F364-W378 AromaticContact CD1-NE1 3.77Å; F364-W378 HydrophobicContact CE1-CZ2 4.43Å; F364-W378 AromaticContact CE1-NE1 3.97Å; F364-L382 HydrophobicContact CB-CD1 4.31Å; F364-L382 HydrophobicContact CD1-CB 4.18Å; F364-L382 HydrophobicContact CD1-CD1 4.04Å; F364-L382 HydrophobicContact CD2-CD1 4.05Å; F364-L382 HydrophobicContact CE1-CB 3.9Å; F364-L382 HydrophobicContact CE1-CD1 4.38Å; F364-L382 HydrophobicContact CE2-CD1 4.41Å; F364-L382 HydrophobicContact CG-CD1 3.88Å; F364-L382 HydrophobicContact CZ-CB 4.32Å; F364-L385 HydrophobicContact CD2-CD2 3.75Å; F364-L385 HydrophobicContact CE2-CB 4.46Å; F364-L385 HydrophobicContact CE2-CD2 3.76Å; F364-L401 HydrophobicContact CB-CD2 4.25Å; F364-L404 HydrophobicContact CB-CD2 4.21Å; F364-L404 VanDerWaalsContact O-CD2 3.23Å; F364-L404 WeakPolarHBondContact O-CD2 3.44Å |
| 365 | L | 90.4 | Very high | 87.4 | Confident | 51 Ų | 51 | 56.8 Ų | 56.8 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68 | -24.3 | 177 | -69.6 | 176 | 0 | 0 | 0 | 113.1 | V361 A362 H363 F367 R368 A400 L401 L404 | V361-L365 HydrophobicContact CG1-CD1 3.73Å; V361-L365 HydrophobicContact CG1-CG 4.16Å; V361-L365 WeakPolarHBondContact O-CB 3.37Å; V361-L365 VanDerWaalsContact O-CG 3.28Å; V361-L365 WeakPolarHBondContact O-CG 3.4Å; V361-L365 PolarHBondContact O-N 3Å; A362-L365 PolarHBondContact O-N 3.01Å; H363-L365 PolarHBondContact O-N 3.11Å; L365-F367 PolarHBondContact O-N 3.15Å; L365-F367 VanDerWaalsContact O-N 3.17Å; L365-R368 VanDerWaalsContact O-CB 3.23Å; L365-R368 WeakPolarHBondContact O-CB 3.43Å; L365-R368 PolarHBondContact O-N 3.32Å; L365-A400 HydrophobicContact CD1-CB 3.9Å; L365-A400 HydrophobicContact CD2-CB 3.75Å; L365-A400 WeakPolarHBondContact CD2-O 3Å; L365-A400 HydrophobicContact CG-CB 4.48Å; L365-L401 HydrophobicContact CD2-CD2 4.38Å; L365-L404 HydrophobicContact CD2-CB 4.36Å |
| 366 | S | 88.1 | Confident | 87.2 | Confident | 67 Ų | 67 | 50.1 Ų | 50.1 | 47% | 0.469 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.5 | -25.7 | 175.5 | 78.2 | 0 | 0 | 0 | 0 | 112.9 | A362 H363 F364 R368 | A362-S366 PolarHBondContact O-N 3.36Å; H363-S366 WeakPolarHBondContact O-CB 3.47Å; H363-S366 PolarHBondContact O-N 3.5Å; H363-S366 PolarHBondContact O-OG 2.84Å; F364-S366 VanDerWaalsContact C-N 3.26Å; F364-S366 PolarHBondContact O-N 3.48Å; S366-R368 PolarHBondContact O-N 2.87Å |
| 367 | F | 87.6 | Confident | 86.8 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -80.1 | 1.1 | 177.9 | -58.4 | -80.5 | 0 | 0 | 0 | 114 | Y334 H363 F364 L365 S369 E370 L374 W378 | Y334-F367 AromaticContact CD1-CE1 3.79Å; Y334-F367 HydrophobicContact CD1-CE1 3.79Å; Y334-F367 HydrophobicContact CD1-CZ 4.21Å; Y334-F367 AromaticContact CD2-CE1 3.65Å; Y334-F367 HydrophobicContact CD2-CE1 3.65Å; Y334-F367 HydrophobicContact CD2-CE2 4.19Å; Y334-F367 AromaticContact CD2-CZ 3.19Å; Y334-F367 HydrophobicContact CD2-CZ 3.19Å; Y334-F367 HydrophobicContact CE1-CE1 4.38Å; Y334-F367 HydrophobicContact CE2-CE1 4.24Å; Y334-F367 AromaticContact CE2-CZ 3.89Å; Y334-F367 HydrophobicContact CE2-CZ 3.89Å; Y334-F367 AromaticContact CG-CE1 3.37Å; Y334-F367 HydrophobicContact CG-CE1 3.37Å; Y334-F367 AromaticContact CG-CZ 3.36Å; Y334-F367 HydrophobicContact CG-CZ 3.36Å; H363-F367 AromaticContact CD2-CE2 3.85Å; H363-F367 AromaticContact NE2-CE2 3.62Å; H363-F367 AromaticContact NE2-CZ 3.86Å; H363-F367 WeakPolarHBondContact O-CD2 3.14Å; H363-F367 WeakPolarHBondContact O-CE2 3.39Å; F364-F367 WeakPolarHBondContact O-CD2 3.42Å; F364-F367 PolarHBondContact O-N 3.01Å; L365-F367 PolarHBondContact O-N 3.15Å; L365-F367 VanDerWaalsContact O-N 3.17Å; F367-S369 PolarHBondContact O-N 2.85Å; F367-E370 HydrophobicContact CB-CB 4.26Å; F367-E370 HydrophobicContact CD1-CB 4.27Å; F367-E370 HydrophobicContact CD1-CG 4.31Å; F367-E370 WeakPolarHBondContact O-CB 3.42Å; F367-E370 PolarHBondContact O-N 2.91Å; F367-E370 VanDerWaalsContact O-N 3.16Å; F367-L374 HydrophobicContact CB-CD1 4.21Å; F367-L374 HydrophobicContact CD1-CD2 3.81Å; F367-L374 HydrophobicContact CE1-CD2 4.38Å; F367-L374 HydrophobicContact CG-CD2 4.33Å; F367-W378 HydrophobicContact CB-CZ2 3.97Å; F367-W378 AromaticContact CD2-CE2 3.87Å; F367-W378 AromaticContact CD2-CZ2 3.8Å; F367-W378 HydrophobicContact CD2-CZ2 3.8Å; F367-W378 AromaticContact CD2-NE1 3.36Å; F367-W378 AromaticContact CE2-NE1 3.44Å; F367-W378 HydrophobicContact CG-CZ2 4.05Å; F367-W378 AromaticContact CG-NE1 3.81Å; F367-W378 AromaticContact CZ-NE1 3.95Å |
| 368 | R | 86.3 | Confident | 86.7 | Confident | 132 Ų | 132 | 50 Ų | 50 | 50% | 0.498 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -59.5 | -34.6 | 176.5 | -169.9 | 179.4 | -175.3 | -178.3 | 2.8 | 112.4 | L365 S366 E403 L404 I407 | L365-R368 VanDerWaalsContact O-CB 3.23Å; L365-R368 WeakPolarHBondContact O-CB 3.43Å; L365-R368 PolarHBondContact O-N 3.32Å; S366-R368 PolarHBondContact O-N 2.87Å; R368-E403 IonicContact NH2-OE1 3.12Å; R368-E403 PolarHBondContact NH2-OE1 2.81Å; R368-E403 VanDerWaalsContact NH2-OE1 3.12Å; R368-L404 HydrophobicContact CB-CD1 4.14Å; R368-I407 HydrophobicContact CG-CD1 3.49Å; R368-I407 VanDerWaalsContact CG-CD1 3.49Å |
| 369 | S | 81.7 | Confident | 86.6 | Confident | 105 Ų | 105 | 47.2 Ų | 47.2 | 73% | 0.734 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -94.9 | -2 | 179.4 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | F367 | F367-S369 PolarHBondContact O-N 2.85Š|
| 370 | E | 82.2 | Confident | 86.4 | Confident | 47 Ų | 47 | 48.8 Ų | 48.8 | 22% | 0.22 | 26% | 0.256 | C | S | . | . | trans | -74.6 | 127.6 | -176.6 | -173.3 | 60.5 | -112.6 | 0 | 0 | 110.3 | F136 F367 R372 Q408 | F136-E370 HydrophobicContact CE1-CG 4.33Å; F367-E370 HydrophobicContact CB-CB 4.26Å; F367-E370 HydrophobicContact CD1-CB 4.27Å; F367-E370 HydrophobicContact CD1-CG 4.31Å; F367-E370 WeakPolarHBondContact O-CB 3.42Å; F367-E370 PolarHBondContact O-N 2.91Å; F367-E370 VanDerWaalsContact O-N 3.16Å; E370-R372 HydrophobicContact CG-CB 4.21Å; E370-R372 WeakPolarHBondContact OE1-CG 3.29Å; E370-R372 IonicContact OE1-CZ 3.55Å; E370-R372 PolarHBondContact OE1-N 3.23Å; E370-R372 IonicContact OE1-NE 3.72Å; E370-R372 PolarHBondContact OE1-NE 3.21Å; E370-R372 IonicContact OE1-NH2 3.46Å; E370-R372 PolarHBondContact OE1-NH2 2.94Å; E370-R372 IonicContact OE2-CZ 3.66Å; E370-R372 IonicContact OE2-NE 3.96Å; E370-R372 IonicContact OE2-NH2 2.81Å; E370-R372 PolarHBondContact OE2-NH2 2.96Å; E370-Q408 PolarHBondContact O-NE2 3.04Å | ||
| 371 | K | 76.3 | Confident | 86.3 | Confident | 205 Ų | 205 | 48.9 Ų | 48.9 | 89% | 0.891 | 26% | 0.257 | S | S | * | . | trans | -94.5 | -14.9 | -178.8 | -64.8 | -177.5 | -178.5 | 178.5 | 0 | 112.9 | ||||
| 372 | R | 80.2 | Confident | 86.2 | Confident | 100 Ų | 100 | 48.7 Ų | 48.7 | 38% | 0.377 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -70.3 | 148 | 177.2 | -70.3 | 178.2 | -75.5 | 177.5 | 2.1 | 110.3 | M135 F136 E370 L374 | M135-R372 PolarHBondContact O-NH1 3.42Å; F136-R372 HydrophobicContact CE1-CB 3.85Å; F136-R372 HydrophobicContact CE1-CG 4.45Å; F136-R372 VanDerWaalsContact CE1-NE 3.31Å; F136-R372 HydrophobicContact CE2-CB 4.26Å; F136-R372 HydrophobicContact CZ-CB 3.43Å; F136-R372 VanDerWaalsContact CZ-CB 3.43Å; F136-R372 HydrophobicContact CZ-CG 4.38Å; E370-R372 HydrophobicContact CG-CB 4.21Å; E370-R372 WeakPolarHBondContact OE1-CG 3.29Å; E370-R372 IonicContact OE1-CZ 3.55Å; E370-R372 PolarHBondContact OE1-N 3.23Å; E370-R372 IonicContact OE1-NE 3.72Å; E370-R372 PolarHBondContact OE1-NE 3.21Å; E370-R372 IonicContact OE1-NH2 3.46Å; E370-R372 PolarHBondContact OE1-NH2 2.94Å; E370-R372 IonicContact OE2-CZ 3.66Å; E370-R372 IonicContact OE2-NE 3.96Å; E370-R372 IonicContact OE2-NH2 2.81Å; E370-R372 PolarHBondContact OE2-NH2 2.96Å; R372-L374 PolarHBondContact O-N 3.22Å |
| 373 | V | 78.4 | Confident | 86.2 | Confident | 117 Ų | 117 | 46.8 Ų | 46.8 | 71% | 0.709 | 24% | 0.237 | S | C | * | . | P | Polyproline II helix | trans | -69.7 | 120.3 | 173.4 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | F136 | F136-V373 VanDerWaalsContact CE2-O 3.31Å; F136-V373 WeakPolarHBondContact CE2-O 3.42Å |
| 374 | L | 82.9 | Confident | 86.2 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 139.8 | -179.9 | -68.2 | 165.6 | 0 | 0 | 0 | 110.6 | F136 F367 R372 W378 Q408 | F136-L374 HydrophobicContact CE1-CD2 4.42Å; F136-L374 HydrophobicContact CZ-CD2 3.97Å; F367-L374 HydrophobicContact CB-CD1 4.21Å; F367-L374 HydrophobicContact CD1-CD2 3.81Å; F367-L374 HydrophobicContact CE1-CD2 4.38Å; F367-L374 HydrophobicContact CG-CD2 4.33Å; R372-L374 PolarHBondContact O-N 3.22Å; L374-W378 HydrophobicContact CB-CB 4.41Å; L374-W378 HydrophobicContact CB-CD2 4.31Å; L374-W378 HydrophobicContact CB-CE3 4.24Å; L374-W378 HydrophobicContact CB-CG 4.4Å; L374-W378 HydrophobicContact CD1-CD2 3.84Å; L374-W378 HydrophobicContact CD1-CE3 3.75Å; L374-W378 HydrophobicContact CD1-CH2 3.89Å; L374-W378 HydrophobicContact CD1-CZ2 3.94Å; L374-W378 HydrophobicContact CD1-CZ3 3.79Å; L374-W378 HydrophobicContact CD2-CD2 4.35Å; L374-W378 HydrophobicContact CD2-CG 4.27Å; L374-W378 HydrophobicContact CG-CD2 4.4Å; L374-Q408 HydrophobicContact CD1-CB 4.02Å; L374-Q408 HydrophobicContact CD1-CG 3.7Å |
| 375 | P | 85.9 | Confident | 86.2 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.013 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 156.7 | 177.3 | -18 | 30.8 | 0 | 0 | 0 | 112.4 | A132 I133 F136 L377 W378 H379 | A132-P375 HydrophobicContact CB-CB 4.18Å; A132-P375 HydrophobicContact CB-CG 3.96Å; I133-P375 HydrophobicContact CD1-CB 4.09Å; I133-P375 HydrophobicContact CD1-CG 4.33Å; I133-P375 HydrophobicContact CG1-CB 3.73Å; I133-P375 HydrophobicContact CG1-CG 3.46Å; I133-P375 VanDerWaalsContact CG1-CG 3.46Å; F136-P375 HydrophobicContact CD2-CG 4.2Å; F136-P375 HydrophobicContact CE2-CG 4.2Å; P375-L377 PolarHBondContact O-N 2.9Å; P375-W378 VanDerWaalsContact O-CB 3.27Å; P375-W378 WeakPolarHBondContact O-CB 3.3Å; P375-W378 PolarHBondContact O-N 3.34Å; P375-H379 PolarHBondContact O-CD2 3.28Å |
| 376 | V | 86.8 | Confident | 86.2 | Confident | 39 Ų | 39 | 44.1 Ų | 44.1 | 24% | 0.236 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.9 | -36.9 | 175.6 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | D129 W378 H379 Q380 I413 | D129-V376 VanDerWaalsContact OD1-CB 3.27Å; D129-V376 WeakPolarHBondContact OD1-CB 3.16Å; D129-V376 WeakPolarHBondContact OD1-CG2 3.31Å; D129-V376 PolarHBondContact OD1-N 2.81Å; V376-W378 PolarHBondContact O-N 2.83Å; V376-H379 WeakPolarHBondContact O-CB 3.27Å; V376-H379 PolarHBondContact O-N 2.88Å; V376-Q380 HydrophobicContact CG1-CG 4.19Å; V376-Q380 WeakPolarHBondContact O-CG 3.2Å; V376-Q380 PolarHBondContact O-N 3.3Å; V376-I413 HydrophobicContact CG1-CD1 3.68Å |
| 377 | L | 84.3 | Confident | 86.2 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.1 | -32.8 | 174.8 | -69.8 | 179.5 | 0 | 0 | 0 | 113.5 | V123 V125 I133 I340 P375 S381 | V123-L377 HydrophobicContact CG1-CD1 4.29Å; V123-L377 HydrophobicContact CG1-CD2 3.38Å; V125-L377 HydrophobicContact CG2-CD1 4.21Å; I133-L377 HydrophobicContact CD1-CD1 3.63Å; I340-L377 HydrophobicContact CD1-CD1 3.93Å; I340-L377 HydrophobicContact CG1-CD1 3.76Å; P375-L377 PolarHBondContact O-N 2.9Å; L377-S381 WeakPolarHBondContact O-CB 3.1Å; L377-S381 PolarHBondContact O-N 3.43Å |
| 378 | W | 89.6 | Confident | 86.2 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.3 | -47.4 | 174.6 | -176.9 | 92.5 | 0 | 0 | 0 | 111 | Y334 F364 F367 L374 P375 V376 Q380 S381 L382 L404 | Y334-W378 AromaticContact CE2-CD1 3.54Å; Y334-W378 AromaticContact CZ-CD1 3.77Å; F364-W378 AromaticContact CD1-CE2 3.7Å; F364-W378 HydrophobicContact CD1-CH2 4.45Å; F364-W378 AromaticContact CD1-CZ2 3.65Å; F364-W378 HydrophobicContact CD1-CZ2 3.65Å; F364-W378 AromaticContact CD1-NE1 3.77Å; F364-W378 HydrophobicContact CE1-CZ2 4.43Å; F364-W378 AromaticContact CE1-NE1 3.97Å; F367-W378 HydrophobicContact CB-CZ2 3.97Å; F367-W378 AromaticContact CD2-CE2 3.87Å; F367-W378 AromaticContact CD2-CZ2 3.8Å; F367-W378 HydrophobicContact CD2-CZ2 3.8Å; F367-W378 AromaticContact CD2-NE1 3.36Å; F367-W378 AromaticContact CE2-NE1 3.44Å; F367-W378 HydrophobicContact CG-CZ2 4.05Å; F367-W378 AromaticContact CG-NE1 3.81Å; F367-W378 AromaticContact CZ-NE1 3.95Å; L374-W378 HydrophobicContact CB-CB 4.41Å; L374-W378 HydrophobicContact CB-CD2 4.31Å; L374-W378 HydrophobicContact CB-CE3 4.24Å; L374-W378 HydrophobicContact CB-CG 4.4Å; L374-W378 HydrophobicContact CD1-CD2 3.84Å; L374-W378 HydrophobicContact CD1-CE3 3.75Å; L374-W378 HydrophobicContact CD1-CH2 3.89Å; L374-W378 HydrophobicContact CD1-CZ2 3.94Å; L374-W378 HydrophobicContact CD1-CZ3 3.79Å; L374-W378 HydrophobicContact CD2-CD2 4.35Å; L374-W378 HydrophobicContact CD2-CG 4.27Å; L374-W378 HydrophobicContact CG-CD2 4.4Å; P375-W378 VanDerWaalsContact O-CB 3.27Å; P375-W378 WeakPolarHBondContact O-CB 3.3Å; P375-W378 PolarHBondContact O-N 3.34Å; V376-W378 PolarHBondContact O-N 2.83Å; W378-Q380 VanDerWaalsContact C-N 3.31Å; W378-Q380 PolarHBondContact O-N 3.21Å; W378-S381 WeakPolarHBondContact O-CB 3.38Å; W378-S381 PolarHBondContact O-N 3.13Å; W378-L382 HydrophobicContact CH2-CD2 3.86Å; W378-L382 HydrophobicContact CZ3-CD2 3.91Å; W378-L382 PolarHBondContact O-N 2.79Å; W378-L404 HydrophobicContact CH2-CD2 3.86Å; W378-L404 HydrophobicContact CH2-CG 4.28Å; W378-L404 HydrophobicContact CZ2-CD2 4.23Å |
| 379 | H | 88.6 | Confident | 86 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -37.9 | 177.3 | -69.4 | -77.1 | 0 | 0 | 0 | 111.9 | P375 V376 L382 L383 H410 I413 | P375-H379 PolarHBondContact O-CD2 3.28Å; V376-H379 WeakPolarHBondContact O-CB 3.27Å; V376-H379 PolarHBondContact O-N 2.88Å; H379-L382 PolarHBondContact O-N 3.3Å; H379-L383 WeakPolarHBondContact O-CB 3.13Å; H379-L383 PolarHBondContact O-N 3.5Å; H379-H410 HydrophobicContact CB-CB 4.44Å; H379-I413 HydrophobicContact CB-CB 4.34Å; H379-I413 HydrophobicContact CB-CD1 4.08Å; H379-I413 HydrophobicContact CB-CG2 4.01Å |
| 380 | Q | 88.8 | Confident | 86 | Confident | 53 Ų | 53 | 40.5 Ų | 40.5 | 25% | 0.248 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.6 | -38.2 | 174.4 | -69.4 | 176.2 | -9.2 | 0 | 0 | 112.5 | V376 W378 L383 T384 I413 | V376-Q380 HydrophobicContact CG1-CG 4.19Å; V376-Q380 WeakPolarHBondContact O-CG 3.2Å; V376-Q380 PolarHBondContact O-N 3.3Å; W378-Q380 VanDerWaalsContact C-N 3.31Å; W378-Q380 PolarHBondContact O-N 3.21Å; Q380-L383 PolarHBondContact O-N 3Å; Q380-T384 PolarHBondContact O-N 3.48Å; Q380-T384 PolarHBondContact O-OG1 2.79Å; Q380-I413 HydrophobicContact CG-CD1 3.8Å |
| 381 | S | 89.3 | Confident | 86.2 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 173.9 | -170.1 | 0 | 0 | 0 | 0 | 111.2 | L377 W378 L383 T384 L385 | L377-S381 WeakPolarHBondContact O-CB 3.1Å; L377-S381 PolarHBondContact O-N 3.43Å; W378-S381 WeakPolarHBondContact O-CB 3.38Å; W378-S381 PolarHBondContact O-N 3.13Å; S381-L383 PolarHBondContact O-N 3.44Å; S381-T384 WeakPolarHBondContact O-CB 3.5Å; S381-T384 PolarHBondContact O-N 2.96Å; S381-L385 PolarHBondContact O-N 2.8Å |
| 382 | L | 90.4 | Very high | 86.6 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64 | -39.3 | 175.2 | -178.7 | 59.7 | 0 | 0 | 0 | 112.4 | F364 W378 H379 T384 L385 A386 L401 L405 I417 | F364-L382 HydrophobicContact CB-CD1 4.31Å; F364-L382 HydrophobicContact CD1-CB 4.18Å; F364-L382 HydrophobicContact CD1-CD1 4.04Å; F364-L382 HydrophobicContact CD2-CD1 4.05Å; F364-L382 HydrophobicContact CE1-CB 3.9Å; F364-L382 HydrophobicContact CE1-CD1 4.38Å; F364-L382 HydrophobicContact CE2-CD1 4.41Å; F364-L382 HydrophobicContact CG-CD1 3.88Å; F364-L382 HydrophobicContact CZ-CB 4.32Å; W378-L382 HydrophobicContact CH2-CD2 3.86Å; W378-L382 HydrophobicContact CZ3-CD2 3.91Å; W378-L382 PolarHBondContact O-N 2.79Å; H379-L382 PolarHBondContact O-N 3.3Å; L382-T384 VanDerWaalsContact C-N 3.32Å; L382-T384 PolarHBondContact O-N 3.39Å; L382-L385 HydrophobicContact CD1-CD2 4.32Å; L382-L385 WeakPolarHBondContact O-CB 3.43Å; L382-L385 PolarHBondContact O-N 2.62Å; L382-A386 PolarHBondContact O-N 3.23Å; L382-L401 HydrophobicContact CD1-CD2 4.11Å; L382-L405 HydrophobicContact CD2-CD2 3.96Å; L382-I417 HydrophobicContact CB-CD1 4.24Å; L382-I417 HydrophobicContact CD2-CD1 4.03Å; L382-I417 HydrophobicContact CG-CD1 4.01Å; L382-I417 HydrophobicContact CG-CG2 4.35Å |
| 383 | L | 91 | Very high | 86.9 | Confident | 18 Ų | 18 | 29.4 Ų | 29.4 | 9% | 0.094 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 173.3 | 177.9 | 65.3 | 0 | 0 | 0 | 111.6 | H379 Q380 S381 L385 A386 Q387 I413 E416 I417 | H379-L383 WeakPolarHBondContact O-CB 3.13Å; H379-L383 PolarHBondContact O-N 3.5Å; Q380-L383 PolarHBondContact O-N 3Å; S381-L383 PolarHBondContact O-N 3.44Å; L383-L385 VanDerWaalsContact C-N 3.33Å; L383-L385 PolarHBondContact O-N 3.24Å; L383-A386 PolarHBondContact O-N 2.73Å; L383-Q387 HydrophobicContact CD1-CG 4.08Å; L383-Q387 HydrophobicContact CG-CG 4.27Å; L383-Q387 WeakPolarHBondContact O-CB 3.4Å; L383-Q387 VanDerWaalsContact O-CG 3.31Å; L383-Q387 WeakPolarHBondContact O-CG 3.5Å; L383-Q387 PolarHBondContact O-N 2.88Å; L383-I413 HydrophobicContact CB-CG2 4.01Å; L383-I413 HydrophobicContact CD2-CG2 4.11Å; L383-E416 HydrophobicContact CD1-CB 3.98Å; L383-I417 HydrophobicContact CB-CD1 4.22Å; L383-I417 HydrophobicContact CB-CG1 3.79Å; L383-I417 HydrophobicContact CD1-CB 4.46Å; L383-I417 HydrophobicContact CD1-CG1 3.7Å; L383-I417 HydrophobicContact CG-CG1 4.35Å |
| 384 | T | 90.7 | Very high | 87.4 | Confident | 10 Ų | 10 | 24.2 Ų | 24.2 | 6% | 0.061 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63 | -42.3 | 178.1 | -51.6 | 0 | 0 | 0 | 0 | 110.6 | L346 D347 Q380 S381 L382 A386 Q387 R388 | L346-T384 HydrophobicContact CB-CG2 3.77Å; D347-T384 WeakPolarHBondContact OD1-CG2 3.34Å; Q380-T384 PolarHBondContact O-N 3.48Å; Q380-T384 PolarHBondContact O-OG1 2.79Å; S381-T384 WeakPolarHBondContact O-CB 3.5Å; S381-T384 PolarHBondContact O-N 2.96Å; L382-T384 VanDerWaalsContact C-N 3.32Å; L382-T384 PolarHBondContact O-N 3.39Å; T384-A386 PolarHBondContact O-N 3.16Å; T384-Q387 PolarHBondContact O-N 3.24Å; T384-R388 HydrophobicContact CG2-CG 4.27Å; T384-R388 WeakPolarHBondContact O-CB 3.48Å; T384-R388 VanDerWaalsContact O-CG 3.26Å; T384-R388 WeakPolarHBondContact O-CG 3.36Å; T384-R388 PolarHBondContact O-N 3.17Å |
| 385 | L | 90.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.6 | -49.3 | 172.6 | -176 | 74 | 0 | 0 | 0 | 111.2 | L346 L357 L360 F364 S381 L382 L383 Q387 R388 C389 | L346-L385 HydrophobicContact CD1-CB 4.08Å; L346-L385 HydrophobicContact CD1-CD1 4.27Å; L346-L385 HydrophobicContact CD2-CD1 3.97Å; L357-L385 HydrophobicContact CD2-CD1 4.35Å; L360-L385 HydrophobicContact CB-CD1 4.39Å; L360-L385 HydrophobicContact CD1-CD1 4.05Å; F364-L385 HydrophobicContact CD2-CD2 3.75Å; F364-L385 HydrophobicContact CE2-CB 4.46Å; F364-L385 HydrophobicContact CE2-CD2 3.76Å; S381-L385 PolarHBondContact O-N 2.8Å; L382-L385 HydrophobicContact CD1-CD2 4.32Å; L382-L385 WeakPolarHBondContact O-CB 3.43Å; L382-L385 PolarHBondContact O-N 2.62Å; L383-L385 VanDerWaalsContact C-N 3.33Å; L383-L385 PolarHBondContact O-N 3.24Å; L385-Q387 PolarHBondContact O-N 2.9Å; L385-R388 PolarHBondContact O-N 2.88Å; L385-C389 HydrophobicContact CD1-CB 4.1Å; L385-C389 WeakPolarHBondContact O-CA 3.3Å; L385-C389 WeakPolarHBondContact O-CB 3.23Å; L385-C389 PolarHBondContact O-N 2.85Å |
| 386 | A | 90.1 | Very high | 87.8 | Confident | 3 Ų | 3 | 33 Ų | 33 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | L382 L383 T384 R388 K390 I417 E420 L421 | L382-A386 PolarHBondContact O-N 3.23Å; L383-A386 PolarHBondContact O-N 2.73Å; T384-A386 PolarHBondContact O-N 3.16Å; A386-R388 PolarHBondContact O-N 3.46Å; A386-K390 WeakPolarHBondContact O-CB 3.41Å; A386-K390 WeakPolarHBondContact O-CG 3.12Å; A386-K390 PolarHBondContact O-N 3.45Å; A386-I417 HydrophobicContact CB-CG2 3.86Å; A386-E420 HydrophobicContact CB-CB 4.31Å; A386-L421 HydrophobicContact CB-CD2 3.99Å; A386-L421 HydrophobicContact CB-CG 4.16Å |
| 387 | Q | 89.3 | Confident | 87.9 | Confident | 64 Ų | 64 | 32.5 Ų | 32.5 | 30% | 0.299 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67 | -37 | 179.2 | -74.6 | 176.4 | -3.8 | 0 | 0 | 112.8 | L383 T384 L385 E420 | L383-Q387 HydrophobicContact CD1-CG 4.08Å; L383-Q387 HydrophobicContact CG-CG 4.27Å; L383-Q387 WeakPolarHBondContact O-CB 3.4Å; L383-Q387 VanDerWaalsContact O-CG 3.31Å; L383-Q387 WeakPolarHBondContact O-CG 3.5Å; L383-Q387 PolarHBondContact O-N 2.88Å; T384-Q387 PolarHBondContact O-N 3.24Å; L385-Q387 PolarHBondContact O-N 2.9Å; Q387-E420 HydrophobicContact CG-CG 3.98Å |
| 388 | R | 86.6 | Confident | 88.1 | Confident | 102 Ų | 102 | 32.9 Ų | 32.9 | 39% | 0.385 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -93.9 | -41 | -172.7 | -58.5 | -55.9 | 177.7 | -164.5 | -11.2 | 113.3 | T384 L385 A386 | T384-R388 HydrophobicContact CG2-CG 4.27Å; T384-R388 WeakPolarHBondContact O-CB 3.48Å; T384-R388 VanDerWaalsContact O-CG 3.26Å; T384-R388 WeakPolarHBondContact O-CG 3.36Å; T384-R388 PolarHBondContact O-N 3.17Å; L385-R388 PolarHBondContact O-N 2.88Å; A386-R388 PolarHBondContact O-N 3.46Å |
| 389 | C | 82.2 | Confident | 88.2 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -104.7 | 8.8 | -170.6 | -57.2 | 0 | 0 | 0 | 0 | 113.4 | L357 L385 A391 D392 L393 | L357-C389 HydrophobicContact CD2-CB 3.66Å; L357-C389 VanDerWaalsContact CD2-SG 3.59Å; L385-C389 HydrophobicContact CD1-CB 4.1Å; L385-C389 WeakPolarHBondContact O-CA 3.3Å; L385-C389 WeakPolarHBondContact O-CB 3.23Å; L385-C389 PolarHBondContact O-N 2.85Å; C389-A391 PolarHBondContact O-N 3.24Å; C389-A391 VanDerWaalsContact O-N 3.16Å; C389-D392 PolarHBondContact O-N 3.05Å; C389-L393 WeakPolarHBondContact O-CG 3.4Å; C389-L393 PolarHBondContact O-N 3.44Å |
| 390 | K | 82.5 | Confident | 88.3 | Confident | 63 Ų | 63 | 40.7 Ų | 40.7 | 27% | 0.274 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -34.5 | -178.6 | 50 | -176.3 | 177.2 | -177.4 | 0 | 115.7 | A386 K398 E420 | A386-K390 WeakPolarHBondContact O-CB 3.41Å; A386-K390 WeakPolarHBondContact O-CG 3.12Å; A386-K390 PolarHBondContact O-N 3.45Å; K390-K398 WeakPolarHBondContact O-CE 3.38Å; K390-K398 PolarHBondContact O-NZ 2.91Å; K390-K398 VanDerWaalsContact O-NZ 3.13Å; K390-E420 IonicContact NZ-OE2 2.63Å; K390-E420 PolarHBondContact NZ-OE2 2.96Å |
| 391 | A | 85.3 | Confident | 88.4 | Confident | 61 Ų | 61 | 38.2 Ų | 38.2 | 50% | 0.504 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -27.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C389 | C389-A391 PolarHBondContact O-N 3.24Å; C389-A391 VanDerWaalsContact O-N 3.16Å |
| 392 | D | 85.7 | Confident | 88.4 | Confident | 58 Ų | 58 | 40.1 Ų | 40.1 | 31% | 0.31 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -96 | 3.9 | -173.6 | -57.2 | -48.3 | 0 | 0 | 0 | 112.9 | F354 L357 C389 R427 | F354-D392 HydrophobicContact CE1-CB 4.34Å; L357-D392 HydrophobicContact CD1-CB 3.51Å; C389-D392 PolarHBondContact O-N 3.05Å; D392-R427 WeakPolarHBondContact O-CD 3.23Å |
| 393 | L | 87 | Confident | 88.4 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -90.1 | 138 | 178.9 | -72.6 | 172.8 | 0 | 0 | 0 | 111.8 | V361 C389 Q397 K398 L401 L421 R427 | V361-L393 HydrophobicContact CG2-CD2 3.56Å; C389-L393 WeakPolarHBondContact O-CG 3.4Å; C389-L393 PolarHBondContact O-N 3.44Å; L393-Q397 HydrophobicContact CD2-CB 4.4Å; L393-K398 HydrophobicContact CB-CD 4.45Å; L393-K398 HydrophobicContact CB-CG 3.87Å; L393-K398 HydrophobicContact CD1-CG 4.36Å; L393-L401 HydrophobicContact CD1-CD1 4.16Å; L393-L421 HydrophobicContact CD1-CD2 3.94Å; L393-R427 PolarHBondContact O-N 2.79Å; L393-R427 VanDerWaalsContact O-N 3.15Å | ||
| 394 | A | 88.8 | Confident | 88.3 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | trans | -68.1 | 155.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | E396 Q397 K398 D428 | A394-E396 VanDerWaalsContact C-N 3.35Å; A394-E396 PolarHBondContact O-N 3.32Å; A394-Q397 HydrophobicContact CB-CB 4.19Å; A394-Q397 HydrophobicContact CB-CG 3.92Å; A394-Q397 VanDerWaalsContact N-OE1 3.09Å; A394-Q397 PolarHBondContact O-N 3.15Å; A394-K398 WeakPolarHBondContact O-CG 2.97Å; A394-K398 PolarHBondContact O-N 3.26Å; A394-D428 WeakPolarHBondContact CA-OD2 3.24Å; A394-D428 WeakPolarHBondContact CB-OD2 3.29Å | ||
| 395 | A | 87.2 | Confident | 88.2 | Confident | 35 Ų | 35 | 42.1 Ų | 42.1 | 29% | 0.289 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q397 K398 E399 D428 | A395-Q397 VanDerWaalsContact C-N 3.3Å; A395-Q397 PolarHBondContact O-N 3.39Å; A395-K398 PolarHBondContact O-N 3.05Å; A395-E399 PolarHBondContact O-N 3.2Å; A395-D428 PolarHBondContact N-OD2 2.85Å; A395-D428 VanDerWaalsContact N-OD2 3.09Å |
| 396 | E | 89.3 | Confident | 88 | Confident | 162 Ų | 162 | 50.6 Ų | 50.6 | 76% | 0.757 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -60.4 | -38.9 | 176.6 | -62.1 | -177.9 | 173.6 | 0 | 0 | 112.3 | A394 E399 A400 | A394-E396 VanDerWaalsContact C-N 3.35Å; A394-E396 PolarHBondContact O-N 3.32Å; E396-E399 PolarHBondContact O-N 3.12Å; E396-A400 WeakPolarHBondContact O-CB 3.23Å; E396-A400 PolarHBondContact O-N 3.11Å |
| 397 | Q | 89 | Confident | 87.9 | Confident | 28 Ų | 28 | 54 Ų | 54 | 13% | 0.131 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 177.4 | -70.1 | 176.1 | -28.1 | 0 | 0 | 111.3 | D358 V361 L393 A394 A395 A400 L401 | D358-Q397 PolarHBondContact OD1-NE2 3.15Å; V361-Q397 HydrophobicContact CG1-CB 4.16Å; V361-Q397 HydrophobicContact CG1-CG 4.11Å; L393-Q397 HydrophobicContact CD2-CB 4.4Å; A394-Q397 HydrophobicContact CB-CB 4.19Å; A394-Q397 HydrophobicContact CB-CG 3.92Å; A394-Q397 VanDerWaalsContact N-OE1 3.09Å; A394-Q397 PolarHBondContact O-N 3.15Å; A395-Q397 VanDerWaalsContact C-N 3.3Å; A395-Q397 PolarHBondContact O-N 3.39Å; Q397-A400 PolarHBondContact O-N 3.06Å; Q397-L401 VanDerWaalsContact O-CG 3.31Å; Q397-L401 WeakPolarHBondContact O-CG 3.34Å; Q397-L401 PolarHBondContact O-N 3.19Å |
| 398 | K | 89 | Confident | 87.6 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 176.3 | -68.5 | -177.2 | -171.7 | 177.9 | 0 | 111.4 | K390 L393 A394 A395 A400 L401 L402 L421 S424 E425 S426 | K390-K398 WeakPolarHBondContact O-CE 3.38Å; K390-K398 PolarHBondContact O-NZ 2.91Å; K390-K398 VanDerWaalsContact O-NZ 3.13Å; L393-K398 HydrophobicContact CB-CD 4.45Å; L393-K398 HydrophobicContact CB-CG 3.87Å; L393-K398 HydrophobicContact CD1-CG 4.36Å; A394-K398 WeakPolarHBondContact O-CG 2.97Å; A394-K398 PolarHBondContact O-N 3.26Å; A395-K398 PolarHBondContact O-N 3.05Å; K398-A400 PolarHBondContact O-N 3.45Å; K398-L401 PolarHBondContact O-N 2.98Å; K398-L402 VanDerWaalsContact O-CG 3.3Å; K398-L402 WeakPolarHBondContact O-CG 3.49Å; K398-L402 PolarHBondContact O-N 3.44Å; K398-L421 HydrophobicContact CG-CD2 4.42Å; K398-S424 WeakPolarHBondContact CE-OG 3.04Å; K398-S424 PolarHBondContact NZ-O 2.88Å; K398-S424 PolarHBondContact NZ-OG 3.39Å; K398-E425 PolarHBondContact NZ-O 2.86Å; K398-S426 PolarHBondContact NZ-OG 3.36Å |
| 399 | E | 90.5 | Very high | 87.5 | Confident | 138 Ų | 138 | 52 Ų | 52 | 65% | 0.645 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.2 | -43.9 | 176.2 | -72.1 | -178 | -175.7 | 0 | 0 | 111.9 | A395 E396 L401 L402 E403 | A395-E399 PolarHBondContact O-N 3.2Å; E396-E399 PolarHBondContact O-N 3.12Å; E399-L401 PolarHBondContact O-N 3.15Å; E399-L402 PolarHBondContact O-N 2.88Å; E399-E403 PolarHBondContact O-N 2.89Å |
| 400 | A | 91.1 | Very high | 87.7 | Confident | 32 Ų | 32 | 53.7 Ų | 53.7 | 26% | 0.264 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L365 E396 Q397 K398 E403 L404 | L365-A400 HydrophobicContact CD1-CB 3.9Å; L365-A400 HydrophobicContact CD2-CB 3.75Å; L365-A400 WeakPolarHBondContact CD2-O 3Å; L365-A400 HydrophobicContact CG-CB 4.48Å; E396-A400 WeakPolarHBondContact O-CB 3.23Å; E396-A400 PolarHBondContact O-N 3.11Å; Q397-A400 PolarHBondContact O-N 3.06Å; K398-A400 PolarHBondContact O-N 3.45Å; A400-E403 PolarHBondContact O-N 3.16Å; A400-L404 PolarHBondContact O-N 3.46Å |
| 401 | L | 90.4 | Very high | 87.8 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.7 | -37.3 | 174.8 | -70.4 | 176 | 0 | 0 | 0 | 112.2 | V361 F364 L365 L382 L393 Q397 K398 E399 E403 L404 L405 L421 | V361-L401 HydrophobicContact CG1-CD2 4.48Å; V361-L401 HydrophobicContact CG1-CG 4.5Å; F364-L401 HydrophobicContact CB-CD2 4.25Å; L365-L401 HydrophobicContact CD2-CD2 4.38Å; L382-L401 HydrophobicContact CD1-CD2 4.11Å; L393-L401 HydrophobicContact CD1-CD1 4.16Å; Q397-L401 VanDerWaalsContact O-CG 3.31Å; Q397-L401 WeakPolarHBondContact O-CG 3.34Å; Q397-L401 PolarHBondContact O-N 3.19Å; K398-L401 PolarHBondContact O-N 2.98Å; E399-L401 PolarHBondContact O-N 3.15Å; L401-E403 VanDerWaalsContact C-N 3.33Å; L401-L404 HydrophobicContact CD2-CD2 4.26Å; L401-L404 WeakPolarHBondContact O-CB 3.31Å; L401-L404 PolarHBondContact O-N 2.86Å; L401-L405 WeakPolarHBondContact O-CG 3.14Å; L401-L405 PolarHBondContact O-N 3.47Å; L401-L421 HydrophobicContact CB-CD1 3.92Å; L401-L421 HydrophobicContact CD1-CD2 4.45Å |
| 402 | L | 89.6 | Confident | 87.8 | Confident | 40 Ų | 40 | 60.8 Ų | 60.8 | 21% | 0.209 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.7 | -40 | 174.4 | -74.2 | 173 | 0 | 0 | 0 | 111.6 | K398 E399 L405 R406 R418 L421 | K398-L402 VanDerWaalsContact O-CG 3.3Å; K398-L402 WeakPolarHBondContact O-CG 3.49Å; K398-L402 PolarHBondContact O-N 3.44Å; E399-L402 PolarHBondContact O-N 2.88Å; L402-L405 HydrophobicContact CD2-CD1 4.5Å; L402-L405 PolarHBondContact O-N 3.09Å; L402-R406 WeakPolarHBondContact O-CG 3.41Å; L402-R406 PolarHBondContact O-N 3.05Å; L402-R418 HydrophobicContact CD2-CB 4.31Å; L402-R418 HydrophobicContact CD2-CG 3.84Å; L402-L421 HydrophobicContact CD2-CB 4.31Å; L402-L421 HydrophobicContact CD2-CD1 4.16Å; L402-L421 HydrophobicContact CG-CD1 4.32Å |
| 403 | E | 90.4 | Very high | 88 | Confident | 70 Ų | 70 | 58.9 Ų | 58.9 | 33% | 0.327 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 174.3 | 179.6 | 59.5 | -165.7 | 0 | 0 | 111.7 | R368 E399 A400 L401 L405 R406 I407 | R368-E403 IonicContact NH2-OE1 3.12Å; R368-E403 PolarHBondContact NH2-OE1 2.81Å; R368-E403 VanDerWaalsContact NH2-OE1 3.12Å; E399-E403 PolarHBondContact O-N 2.89Å; A400-E403 PolarHBondContact O-N 3.16Å; L401-E403 VanDerWaalsContact C-N 3.33Å; E403-L405 VanDerWaalsContact C-N 3.3Å; E403-L405 PolarHBondContact O-N 2.76Å; E403-R406 WeakPolarHBondContact O-CB 3.46Å; E403-R406 PolarHBondContact O-N 3.34Å; E403-R406 WeakPolarHBondContact OE2-CD 3.47Å; E403-I407 PolarHBondContact O-N 3.39Å |
| 404 | L | 89.6 | Confident | 88 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.9 | -43.6 | 172.4 | 177.2 | 66.4 | 0 | 0 | 0 | 111.7 | F364 L365 R368 W378 A400 L401 R406 I407 Q408 | F364-L404 HydrophobicContact CB-CD2 4.21Å; F364-L404 VanDerWaalsContact O-CD2 3.23Å; F364-L404 WeakPolarHBondContact O-CD2 3.44Å; L365-L404 HydrophobicContact CD2-CB 4.36Å; R368-L404 HydrophobicContact CB-CD1 4.14Å; W378-L404 HydrophobicContact CH2-CD2 3.86Å; W378-L404 HydrophobicContact CH2-CG 4.28Å; W378-L404 HydrophobicContact CZ2-CD2 4.23Å; A400-L404 PolarHBondContact O-N 3.46Å; L401-L404 HydrophobicContact CD2-CD2 4.26Å; L401-L404 WeakPolarHBondContact O-CB 3.31Å; L401-L404 PolarHBondContact O-N 2.86Å; L404-R406 PolarHBondContact O-N 3.23Å; L404-I407 PolarHBondContact O-N 3.01Å; L404-I407 VanDerWaalsContact O-N 3.09Å; L404-Q408 HydrophobicContact CD1-CG 4.34Å; L404-Q408 PolarHBondContact O-N 3.33Å |
| 405 | L | 88.1 | Confident | 88 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.6 | -16 | 177.3 | -69 | 172.8 | 0 | 0 | 0 | 114 | L382 L401 L402 E403 T409 I417 R418 L421 | L382-L405 HydrophobicContact CD2-CD2 3.96Å; L401-L405 WeakPolarHBondContact O-CG 3.14Å; L401-L405 PolarHBondContact O-N 3.47Å; L402-L405 HydrophobicContact CD2-CD1 4.5Å; L402-L405 PolarHBondContact O-N 3.09Å; E403-L405 VanDerWaalsContact C-N 3.3Å; E403-L405 PolarHBondContact O-N 2.76Å; L405-T409 WeakPolarHBondContact O-CG2 3.49Å; L405-I417 HydrophobicContact CD1-CB 3.84Å; L405-I417 HydrophobicContact CD1-CG2 3.6Å; L405-I417 HydrophobicContact CD2-CB 4.26Å; L405-I417 HydrophobicContact CD2-CD1 3.84Å; L405-I417 HydrophobicContact CD2-CG2 4.25Å; L405-I417 HydrophobicContact CG-CG2 4.45Å; L405-R418 HydrophobicContact CD1-CB 4.48Å; L405-L421 HydrophobicContact CD1-CD1 4.36Å |
| 406 | R | 87 | Confident | 88 | Confident | 179 Ų | 179 | 64.2 Ų | 64.2 | 68% | 0.675 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -78.7 | -30.6 | 172.5 | -62.4 | 179 | 82.5 | 149.4 | 2.7 | 111.7 | L402 E403 L404 | L402-R406 WeakPolarHBondContact O-CG 3.41Å; L402-R406 PolarHBondContact O-N 3.05Å; E403-R406 WeakPolarHBondContact O-CB 3.46Å; E403-R406 PolarHBondContact O-N 3.34Å; E403-R406 WeakPolarHBondContact OE2-CD 3.47Å; L404-R406 PolarHBondContact O-N 3.23Å |
| 407 | I | 86.5 | Confident | 88.1 | Confident | 76 Ų | 76 | 56.5 Ų | 56.5 | 39% | 0.39 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -85.5 | -52.2 | -179.2 | -61.1 | 163 | 0 | 0 | 0 | 109.4 | R368 E403 L404 | R368-I407 HydrophobicContact CG-CD1 3.49Å; R368-I407 VanDerWaalsContact CG-CD1 3.49Å; E403-I407 PolarHBondContact O-N 3.39Å; L404-I407 PolarHBondContact O-N 3.01Å; L404-I407 VanDerWaalsContact O-N 3.09Å |
| 408 | Q | 84.4 | Confident | 88 | Confident | 26 Ų | 26 | 60.2 Ų | 60.2 | 12% | 0.121 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -102.1 | 94.1 | -179.3 | -63.3 | -63.7 | -15.1 | 0 | 0 | 109.9 | E370 L374 L404 | E370-Q408 PolarHBondContact O-NE2 3.04Å; L374-Q408 HydrophobicContact CD1-CB 4.02Å; L374-Q408 HydrophobicContact CD1-CG 3.7Å; L404-Q408 HydrophobicContact CD1-CG 4.34Å; L404-Q408 PolarHBondContact O-N 3.33Å |
| 409 | T | 84.1 | Confident | 88 | Confident | 98 Ų | 98 | 65.3 Ų | 65.3 | 60% | 0.601 | 33% | 0.326 | S | S | * | . | trans | -105 | 133.4 | -173.9 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | L405 | L405-T409 WeakPolarHBondContact O-CG2 3.49Š| ||
| 410 | H | 86.5 | Confident | 87.9 | Confident | 41 Ų | 41 | 60 Ų | 60 | 19% | 0.19 | 30% | 0.301 | C | S | . | . | trans | -117.2 | 133.4 | 168.9 | -173 | -99.6 | 0 | 0 | 0 | 109.6 | H379 Q412 I413 S414 | H379-H410 HydrophobicContact CB-CB 4.44Å; H410-Q412 VanDerWaalsContact C-N 3.34Å; H410-Q412 PolarHBondContact O-N 3.3Å; H410-I413 HydrophobicContact CB-CB 4.41Å; H410-I413 WeakPolarHBondContact ND1-CG1 3.35Å; H410-I413 PolarHBondContact ND1-N 3.27Å; H410-S414 PolarHBondContact N-OG 3.32Å; H410-S414 WeakPolarHBondContact O-CB 3.25Å; H410-S414 PolarHBondContact O-N 3.29Å; H410-S414 PolarHBondContact O-OG 3.17Å | ||
| 411 | P | 84.3 | Confident | 87.7 | Confident | 118 Ų | 118 | 58.6 Ų | 58.6 | 77% | 0.766 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -37.6 | -169.5 | -28.8 | 35.5 | 0 | 0 | 0 | 115.8 | ||
| 412 | Q | 85.7 | Confident | 87.5 | Confident | 155 Ų | 155 | 64.5 Ų | 64.5 | 72% | 0.724 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -45.7 | -176.1 | -67.2 | 178.9 | -19.3 | 0 | 0 | 112.5 | H410 | H410-Q412 VanDerWaalsContact C-N 3.34Å; H410-Q412 PolarHBondContact O-N 3.3Å |
| 413 | I | 88.8 | Confident | 87.3 | Confident | 17 Ų | 17 | 68.1 Ų | 68.1 | 9% | 0.087 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -77.5 | -40.1 | -168.4 | -61 | 170.9 | 0 | 0 | 0 | 111.7 | V376 H379 Q380 L383 H410 A415 E416 I417 | V376-I413 HydrophobicContact CG1-CD1 3.68Å; H379-I413 HydrophobicContact CB-CB 4.34Å; H379-I413 HydrophobicContact CB-CD1 4.08Å; H379-I413 HydrophobicContact CB-CG2 4.01Å; Q380-I413 HydrophobicContact CG-CD1 3.8Å; L383-I413 HydrophobicContact CB-CG2 4.01Å; L383-I413 HydrophobicContact CD2-CG2 4.11Å; H410-I413 HydrophobicContact CB-CB 4.41Å; H410-I413 WeakPolarHBondContact ND1-CG1 3.35Å; H410-I413 PolarHBondContact ND1-N 3.27Å; I413-A415 PolarHBondContact O-N 3.22Å; I413-E416 WeakPolarHBondContact O-CB 3.49Å; I413-E416 PolarHBondContact O-N 2.97Å; I413-I417 HydrophobicContact CG2-CD1 3.76Å; I413-I417 HydrophobicContact CG2-CG1 3.97Å; I413-I417 WeakPolarHBondContact O-CG1 3.41Å; I413-I417 PolarHBondContact O-N 2.95Å |
| 414 | S | 87.8 | Confident | 86.7 | Confident | 11 Ų | 11 | 65.8 Ų | 65.8 | 8% | 0.077 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.4 | -30.1 | -175.3 | -66.6 | 0 | 0 | 0 | 0 | 113.1 | H410 R418 | H410-S414 PolarHBondContact N-OG 3.32Å; H410-S414 WeakPolarHBondContact O-CB 3.25Å; H410-S414 PolarHBondContact O-N 3.29Å; H410-S414 PolarHBondContact O-OG 3.17Å; S414-R418 WeakPolarHBondContact O-CB 3.41Å; S414-R418 PolarHBondContact O-N 3.41Å |
| 415 | A | 88.1 | Confident | 86.1 | Confident | 66 Ų | 66 | 73.7 Ų | 73.7 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I413 R418 R419 | I413-A415 PolarHBondContact O-N 3.22Å; A415-R418 PolarHBondContact O-N 2.9Å; A415-R419 WeakPolarHBondContact O-CB 3.43Å; A415-R419 PolarHBondContact O-N 3.45Å |
| 416 | E | 88.8 | Confident | 85.7 | Confident | 78 Ų | 78 | 74.8 Ų | 74.8 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.8 | -43.3 | 176.3 | -61.6 | -168.9 | 161.4 | 0 | 0 | 111.9 | L383 I413 R418 R419 E420 | L383-E416 HydrophobicContact CD1-CB 3.98Å; I413-E416 WeakPolarHBondContact O-CB 3.49Å; I413-E416 PolarHBondContact O-N 2.97Å; E416-R418 VanDerWaalsContact C-N 3.3Å; E416-R418 PolarHBondContact O-N 3.31Å; E416-R419 WeakPolarHBondContact O-CB 3.36Å; E416-R419 PolarHBondContact O-N 2.87Å; E416-E420 WeakPolarHBondContact O-CG 3.4Å; E416-E420 PolarHBondContact O-N 3.43Å |
| 417 | I | 89.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 176.8 | -56.1 | 171.6 | 0 | 0 | 0 | 109.9 | L382 L383 A386 L405 I413 R419 E420 L421 | L382-I417 HydrophobicContact CB-CD1 4.24Å; L382-I417 HydrophobicContact CD2-CD1 4.03Å; L382-I417 HydrophobicContact CG-CD1 4.01Å; L382-I417 HydrophobicContact CG-CG2 4.35Å; L383-I417 HydrophobicContact CB-CD1 4.22Å; L383-I417 HydrophobicContact CB-CG1 3.79Å; L383-I417 HydrophobicContact CD1-CB 4.46Å; L383-I417 HydrophobicContact CD1-CG1 3.7Å; L383-I417 HydrophobicContact CG-CG1 4.35Å; A386-I417 HydrophobicContact CB-CG2 3.86Å; L405-I417 HydrophobicContact CD1-CB 3.84Å; L405-I417 HydrophobicContact CD1-CG2 3.6Å; L405-I417 HydrophobicContact CD2-CB 4.26Å; L405-I417 HydrophobicContact CD2-CD1 3.84Å; L405-I417 HydrophobicContact CD2-CG2 4.25Å; L405-I417 HydrophobicContact CG-CG2 4.45Å; I413-I417 HydrophobicContact CG2-CD1 3.76Å; I413-I417 HydrophobicContact CG2-CG1 3.97Å; I413-I417 WeakPolarHBondContact O-CG1 3.41Å; I413-I417 PolarHBondContact O-N 2.95Å; I417-R419 VanDerWaalsContact C-N 3.34Å; I417-R419 PolarHBondContact O-N 3.35Å; I417-E420 PolarHBondContact O-N 3.5Å; I417-L421 HydrophobicContact CG2-CD1 4.02Å; I417-L421 HydrophobicContact CG2-CG 4.36Å; I417-L421 WeakPolarHBondContact O-CG 3.49Å; I417-L421 PolarHBondContact O-N 2.97Å |
| 418 | R | 88.1 | Confident | 84.8 | Confident | 105 Ų | 105 | 71 Ų | 71 | 40% | 0.396 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 177.3 | -178.7 | 178.5 | -60.2 | -164.1 | 2.7 | 111.6 | L402 L405 S414 A415 E416 E420 L421 Q422 | L402-R418 HydrophobicContact CD2-CB 4.31Å; L402-R418 HydrophobicContact CD2-CG 3.84Å; L405-R418 HydrophobicContact CD1-CB 4.48Å; S414-R418 WeakPolarHBondContact O-CB 3.41Å; S414-R418 PolarHBondContact O-N 3.41Å; A415-R418 PolarHBondContact O-N 2.9Å; E416-R418 VanDerWaalsContact C-N 3.3Å; E416-R418 PolarHBondContact O-N 3.31Å; R418-E420 PolarHBondContact O-N 3.39Å; R418-L421 PolarHBondContact O-N 3.37Å; R418-Q422 HydrophobicContact CG-CG 4.35Å; R418-Q422 WeakPolarHBondContact O-CB 3.28Å; R418-Q422 VanDerWaalsContact O-CG 3.32Å; R418-Q422 WeakPolarHBondContact O-CG 3.45Å; R418-Q422 PolarHBondContact O-N 3Å |
| 419 | R | 88.9 | Confident | 83.9 | Confident | 118 Ų | 118 | 74.4 Ų | 74.4 | 45% | 0.445 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.7 | -47 | 177.5 | -175.6 | -172 | 71.6 | -153.2 | -3 | 111.3 | A415 E416 I417 Q422 N423 | A415-R419 WeakPolarHBondContact O-CB 3.43Å; A415-R419 PolarHBondContact O-N 3.45Å; E416-R419 WeakPolarHBondContact O-CB 3.36Å; E416-R419 PolarHBondContact O-N 2.87Å; I417-R419 VanDerWaalsContact C-N 3.34Å; I417-R419 PolarHBondContact O-N 3.35Å; R419-Q422 PolarHBondContact O-N 3.35Å; R419-N423 WeakPolarHBondContact CG-ND2 3.29Å; R419-N423 VanDerWaalsContact O-CB 3.27Å; R419-N423 WeakPolarHBondContact O-CB 3Å; R419-N423 PolarHBondContact O-N 3.19Å; R419-N423 PolarHBondContact O-ND2 3.02Å |
| 420 | E | 88.4 | Confident | 82.4 | Confident | 26 Ų | 26 | 78.3 Ų | 78.3 | 12% | 0.121 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.5 | -39.1 | -179.7 | -67.6 | -55.8 | 137.2 | 0 | 0 | 112.6 | A386 Q387 K390 E416 I417 R418 | A386-E420 HydrophobicContact CB-CB 4.31Å; Q387-E420 HydrophobicContact CG-CG 3.98Å; K390-E420 IonicContact NZ-OE2 2.63Å; K390-E420 PolarHBondContact NZ-OE2 2.96Å; E416-E420 WeakPolarHBondContact O-CG 3.4Å; E416-E420 PolarHBondContact O-N 3.43Å; I417-E420 PolarHBondContact O-N 3.5Å; R418-E420 PolarHBondContact O-N 3.39Å |
| 421 | L | 86.7 | Confident | 80.7 | Confident | 4 Ų | 4 | 82.3 Ų | 82.3 | 2% | 0.021 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.9 | -41 | 177.6 | -68.6 | 176.4 | 0 | 0 | 0 | 112.1 | A386 L393 K398 L401 L402 L405 I417 R418 S424 | A386-L421 HydrophobicContact CB-CD2 3.99Å; A386-L421 HydrophobicContact CB-CG 4.16Å; L393-L421 HydrophobicContact CD1-CD2 3.94Å; K398-L421 HydrophobicContact CG-CD2 4.42Å; L401-L421 HydrophobicContact CB-CD1 3.92Å; L401-L421 HydrophobicContact CD1-CD2 4.45Å; L402-L421 HydrophobicContact CD2-CB 4.31Å; L402-L421 HydrophobicContact CD2-CD1 4.16Å; L402-L421 HydrophobicContact CG-CD1 4.32Å; L405-L421 HydrophobicContact CD1-CD1 4.36Å; I417-L421 HydrophobicContact CG2-CD1 4.02Å; I417-L421 HydrophobicContact CG2-CG 4.36Å; I417-L421 WeakPolarHBondContact O-CG 3.49Å; I417-L421 PolarHBondContact O-N 2.97Å; R418-L421 PolarHBondContact O-N 3.37Å; L421-S424 PolarHBondContact O-OG 2.99Å |
| 422 | Q | 86.3 | Confident | 78.7 | Confident | 125 Ų | 125 | 79.5 Ų | 79.5 | 58% | 0.584 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -71.9 | -33.5 | 180 | -72.7 | 179.2 | -25.7 | 0 | 0 | 113.2 | R418 R419 S424 | R418-Q422 HydrophobicContact CG-CG 4.35Å; R418-Q422 WeakPolarHBondContact O-CB 3.28Å; R418-Q422 VanDerWaalsContact O-CG 3.32Å; R418-Q422 WeakPolarHBondContact O-CG 3.45Å; R418-Q422 PolarHBondContact O-N 3Å; R419-Q422 PolarHBondContact O-N 3.35Å; Q422-S424 PolarHBondContact O-N 3.46Å; Q422-S424 VanDerWaalsContact O-N 3.16Å |
| 423 | N | 84.5 | Confident | 76.6 | Confident | 117 Ų | 117 | 79.9 Ų | 79.9 | 63% | 0.626 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 19.7 | -178.8 | -69.1 | -10.1 | 0 | 0 | 0 | 113.5 | R419 | R419-N423 WeakPolarHBondContact CG-ND2 3.29Å; R419-N423 VanDerWaalsContact O-CB 3.27Å; R419-N423 WeakPolarHBondContact O-CB 3Å; R419-N423 PolarHBondContact O-N 3.19Å; R419-N423 PolarHBondContact O-ND2 3.02Å |
| 424 | S | 79.1 | Confident | 74.5 | Confident | 21 Ų | 21 | 84.6 Ų | 84.6 | 15% | 0.147 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -129.4 | 134.6 | -172.7 | 68.2 | 0 | 0 | 0 | 0 | 112.6 | K398 L421 Q422 | K398-S424 WeakPolarHBondContact CE-OG 3.04Å; K398-S424 PolarHBondContact NZ-O 2.88Å; K398-S424 PolarHBondContact NZ-OG 3.39Å; L421-S424 PolarHBondContact O-OG 2.99Å; Q422-S424 PolarHBondContact O-N 3.46Å; Q422-S424 VanDerWaalsContact O-N 3.16Å |
| 425 | E | 76.4 | Confident | 72.3 | Confident | 166 Ų | 166 | 88.1 Ų | 88.1 | 78% | 0.776 | 48% | 0.481 | S | S | * | . | trans | -70.5 | 140.3 | 171.8 | -65.8 | -179.4 | 173.9 | 0 | 0 | 110 | K398 | K398-E425 PolarHBondContact NZ-O 2.86Š| ||
| 426 | S | 79.8 | Confident | 70.3 | Confident | 23 Ų | 23 | 92.2 Ų | 92.2 | 16% | 0.161 | 49% | 0.492 | C | S | . | . | trans | -87.8 | 142.8 | -179.1 | -58.6 | 0 | 0 | 0 | 0 | 109.9 | K398 D428 V429 | K398-S426 PolarHBondContact NZ-OG 3.36Å; S426-D428 PolarHBondContact O-N 3.09Å; S426-D428 VanDerWaalsContact O-N 3.15Å; S426-V429 PolarHBondContact O-N 3.43Å; S426-V429 VanDerWaalsContact O-N 3.11Å | ||
| 427 | R | 78.7 | Confident | 68.2 | Low | 90 Ų | 90 | 93.9 Ų | 93.9 | 34% | 0.34 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30.2 | -176.3 | 81.5 | -175.6 | -176.2 | -168.5 | -0.8 | 113.6 | D358 D392 L393 V429 | D358-R427 IonicContact OD1-NH1 3.94Å; D392-R427 WeakPolarHBondContact O-CD 3.23Å; L393-R427 PolarHBondContact O-N 2.79Å; L393-R427 VanDerWaalsContact O-N 3.15Å; R427-V429 VanDerWaalsContact C-N 3.25Å; R427-V429 PolarHBondContact O-N 3.2Å |
| 428 | D | 76.6 | Confident | 66 | Low | 86 Ų | 86 | 101.1 Ų | 101.1 | 46% | 0.46 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -3.4 | -174.8 | -37 | -53 | 0 | 0 | 0 | 112.3 | A394 A395 S426 E430 | A394-D428 WeakPolarHBondContact CA-OD2 3.24Å; A394-D428 WeakPolarHBondContact CB-OD2 3.29Å; A395-D428 PolarHBondContact N-OD2 2.85Å; A395-D428 VanDerWaalsContact N-OD2 3.09Å; S426-D428 PolarHBondContact O-N 3.09Å; S426-D428 VanDerWaalsContact O-N 3.15Å; D428-E430 VanDerWaalsContact C-N 3.33Å; D428-E430 PolarHBondContact O-N 2.73Å; D428-E430 VanDerWaalsContact O-N 3.12Å |
| 429 | V | 63.8 | Low | 64 | Low | 98 Ų | 98 | 104 Ų | 104 | 59% | 0.594 | 57% | 0.565 | S | S | * | * | trans | -83.4 | 86.2 | 171.9 | -176 | 0 | 0 | 0 | 0 | 106.8 | S426 R427 V431 | S426-V429 PolarHBondContact O-N 3.43Å; S426-V429 VanDerWaalsContact O-N 3.11Å; R427-V429 VanDerWaalsContact C-N 3.25Å; R427-V429 PolarHBondContact O-N 3.2Å; V429-V431 PolarHBondContact O-N 2.82Å | ||
| 430 | E | 53.8 | Low | 61.7 | Low | 180 Ų | 180 | 109.7 Ų | 109.7 | 84% | 0.841 | 61% | 0.605 | S | S | * | * | trans | -57.1 | 114.3 | 165.1 | -73.7 | -173.7 | 164.3 | 0 | 0 | 107.8 | D428 G432 | D428-E430 VanDerWaalsContact C-N 3.33Å; D428-E430 PolarHBondContact O-N 2.73Å; D428-E430 VanDerWaalsContact O-N 3.12Å; E430-G432 PolarHBondContact O-N 3.46Å | ||
| 431 | V | 50.8 | Low | 60.4 | Low | 125 Ų | 125 | 113.9 Ų | 113.9 | 76% | 0.758 | 63% | 0.629 | S | S | * | * | trans | -60.1 | 98.5 | 162.2 | 179.9 | 0 | 0 | 0 | 0 | 105.1 | V429 L433 | V429-V431 PolarHBondContact O-N 2.82Å; V431-L433 PolarHBondContact O-N 3.12Å | ||
| 432 | G | 41.8 | Very low | 59 | Low | 59 Ų | 59 | 119.7 Ų | 119.7 | 61% | 0.608 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 117 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | E430 P434 | E430-G432 PolarHBondContact O-N 3.46Å; G432-P434 VanDerWaalsContact O-N 3.14Å |
| 433 | L | 42.3 | Very low | 57.5 | Low | 163 Ų | 163 | 119.4 Ų | 119.4 | 85% | 0.853 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 125.4 | 166.9 | -83.6 | 139.3 | 0 | 0 | 0 | 106.4 | V431 A435 | V431-L433 PolarHBondContact O-N 3.12Å; L433-A435 PolarHBondContact O-N 2.94Å |
| 434 | P | 43.3 | Very low | 55.9 | Low | 116 Ų | 116 | 119.5 Ų | 119.5 | 75% | 0.753 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -56 | 118.7 | 178 | 22.2 | -30.2 | 0 | 0 | 0 | 106.3 | G432 I436 | G432-P434 VanDerWaalsContact O-N 3.14Å; P434-I436 PolarHBondContact O-N 2.84Å |
| 435 | A | 42.8 | Very low | 54.4 | Low | 85 Ų | 85 | 125.7 Ų | 125.7 | 70% | 0.702 | 70% | 0.701 | S | S | * | * | trans | -51.6 | 110.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | L433 V437 | L433-A435 PolarHBondContact O-N 2.94Å; A435-V437 PolarHBondContact O-N 2.84Å | ||
| 436 | I | 45.7 | Very low | 52.9 | Low | 152 Ų | 152 | 123 Ų | 123 | 78% | 0.779 | 70% | 0.696 | S | S | * | * | trans | -61.9 | 99.5 | 166.1 | -11.1 | 175.2 | 0 | 0 | 0 | 102.9 | P434 D438 | P434-I436 PolarHBondContact O-N 2.84Å; I436-D438 PolarHBondContact O-N 2.97Å | ||
| 437 | V | 45.4 | Very low | 51 | Low | 113 Ų | 113 | 130.1 Ų | 130.1 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | trans | -68.8 | 97.2 | 170 | -168.2 | 0 | 0 | 0 | 0 | 103.4 | A435 M439 | A435-V437 PolarHBondContact O-N 2.84Å; V437-M439 HydrophobicContact CG1-CG 4.48Å; V437-M439 PolarHBondContact O-N 3.12Å | ||
| 438 | D | 42.2 | Very low | 48.9 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -61.2 | 94 | 165.6 | -76.9 | -31.7 | 0 | 0 | 0 | 106.4 | I436 | I436-D438 PolarHBondContact O-N 2.97Š| ||
| 439 | M | 47.3 | Very low | 46.6 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | trans | -87.1 | 100.7 | 153.7 | -76.2 | -156.5 | -169.1 | 0 | 0 | 106.4 | V437 | V437-M439 HydrophobicContact CG1-CG 4.48Å; V437-M439 PolarHBondContact O-N 3.12Å | ||
| 440 | D | 39.8 | Very low | 45 | Very low | 239 Ų | 239 | 140.7 Ų | 140.7 | 100% | 1.278 | 81% | 0.807 | S | S | * | * | trans | -163.5 | 0 | 133.4 | -89.5 | -23.5 | 0 | 0 | 0 | 111 |
Retrieved 440 of 440 residues in 252.2 ms
(Link to these results)