| 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 | 34.4 | Very low | 32.2 | Very low | 256 Ų | 256 | 172 Ų | 172 | 100% | 1.261 | 87% | 0.872 | S | S | * | * | 0 | 115.5 | 0 | -69.1 | 174.7 | -170.7 | 0 | 0 | 107.5 | |||||
| 2 | G | 31.5 | Very low | 32.2 | Very low | 67 Ų | 67 | 173.3 Ų | 173.3 | 69% | 0.691 | 87% | 0.872 | S | S | * | * | trans | 172.9 | 1.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | G4 | G2-G4 PolarHBondContact O-N 3.25Å; G2-G4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | Q | 31.8 | Very low | 32.1 | Very low | 208 Ų | 208 | 173.8 Ų | 173.8 | 97% | 0.972 | 87% | 0.87 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 19.3 | 179.4 | -62.6 | -154.9 | 22.3 | 0 | 0 | 114.6 | ||
| 4 | G | 28.5 | Very low | 32 | Very low | 71 Ų | 71 | 173.7 Ų | 173.7 | 73% | 0.732 | 87% | 0.872 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | -5.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | G2 | G2-G4 PolarHBondContact O-N 3.25Å; G2-G4 VanDerWaalsContact O-N 3.09Å |
| 5 | L | 30.5 | Very low | 31.8 | Very low | 153 Ų | 153 | 174.3 Ų | 174.3 | 80% | 0.801 | 87% | 0.871 | S | S | * | * | S | Bend | trans | -101.6 | 2.1 | -163.7 | -99.7 | 141.7 | 0 | 0 | 0 | 116.6 | ||
| 6 | W | 41.1 | Very low | 31.6 | Very low | 245 Ų | 245 | 174.9 Ų | 174.9 | 93% | 0.928 | 87% | 0.871 | S | S | * | * | S | Bend | trans | -114.8 | 17.3 | -170.6 | -61.2 | 113.5 | 0 | 0 | 0 | 116 | ||
| 7 | R | 32 | Very low | 31.4 | Very low | 245 Ų | 245 | 176.1 Ų | 176.1 | 93% | 0.925 | 87% | 0.873 | S | S | * | * | trans | -95.4 | 0.9 | -177.8 | -102.3 | -170.3 | -174.3 | -157.5 | 2.5 | 117.1 | ||||
| 8 | V | 33.2 | Very low | 31.1 | Very low | 134 Ų | 134 | 170.2 Ų | 170.2 | 81% | 0.812 | 87% | 0.865 | S | S | * | * | S | Bend | trans | -126.7 | 107.3 | -177.9 | -169.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 9 | V | 30.1 | Very low | 30.9 | Very low | 120 Ų | 120 | 173.5 Ų | 173.5 | 73% | 0.727 | 87% | 0.867 | S | S | * | * | S | Bend | trans | 130.6 | 107.1 | 153.2 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 10 | R | 32.1 | Very low | 30.6 | Very low | 227 Ų | 227 | 170.6 Ų | 170.6 | 86% | 0.857 | 86% | 0.864 | S | S | * | * | trans | 104.3 | 23.7 | 161.3 | -109.2 | 178.5 | -74.9 | -167.1 | -2.6 | 120.3 | Q12 | R10-Q12 PolarHBondContact O-N 2.92Š| ||
| 11 | N | 28.7 | Very low | 30.7 | Very low | 166 Ų | 166 | 171.1 Ų | 171.1 | 89% | 0.888 | 86% | 0.863 | S | S | * | * | trans | -91.9 | 50.8 | 162.6 | -115.8 | -2.8 | 0 | 0 | 0 | 113 | ||||
| 12 | Q | 32.3 | Very low | 30.4 | Very low | 187 Ų | 187 | 168.4 Ų | 168.4 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -145.1 | 27 | 176.6 | -135.9 | 172.1 | 26 | 0 | 0 | 115.5 | R10 | R10-Q12 PolarHBondContact O-N 2.92Š|
| 13 | Q | 31.4 | Very low | 30.3 | Very low | 180 Ų | 180 | 168 Ų | 168 | 84% | 0.841 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -149.6 | 10.9 | 175.8 | -118.3 | 155.7 | 1.6 | 0 | 0 | 117.4 | ||
| 14 | L | 30.6 | Very low | 30.1 | Very low | 173 Ų | 173 | 169.4 Ų | 169.4 | 91% | 0.906 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -133.8 | 23.1 | 176.7 | -72.3 | 171.6 | 0 | 0 | 0 | 114.2 | ||
| 15 | Q | 28.9 | Very low | 30.2 | Very low | 182 Ų | 182 | 174.1 Ų | 174.1 | 85% | 0.85 | 85% | 0.849 | S | S | * | * | S | Bend | trans | -117.7 | 71.3 | 164.6 | -82.8 | -176.3 | -0.9 | 0 | 0 | 109.4 | ||
| 16 | Q | 29.4 | Very low | 30.3 | Very low | 185 Ų | 185 | 173.6 Ų | 173.6 | 86% | 0.864 | 85% | 0.853 | S | S | * | * | trans | -170.7 | 138.6 | 149.2 | -105 | 166.4 | 30.8 | 0 | 0 | 107.4 | ||||
| 17 | E | 27.9 | Very low | 29.8 | Very low | 195 Ų | 195 | 173.6 Ų | 173.6 | 91% | 0.911 | 85% | 0.853 | S | S | * | * | trans | 84.9 | 94.2 | -176.4 | -52.8 | -178.5 | -179.7 | 0 | 0 | 112.8 | ||||
| 18 | G | 25.3 | Very low | 29.7 | Very low | 70 Ų | 70 | 171.2 Ų | 171.2 | 72% | 0.722 | 85% | 0.852 | S | S | * | * | cis | 92.9 | 96.5 | 36.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 19 | Y | 27.5 | Very low | 29.6 | Very low | 232 Ų | 232 | 174 Ų | 174 | 91% | 0.91 | 86% | 0.856 | S | S | * | * | trans | -40.4 | 131.4 | 177.8 | -89.8 | -108.6 | 0 | 0 | 0 | 113.6 | ||||
| 20 | S | 25.8 | Very low | 29.6 | Very low | 115 Ų | 115 | 173.8 Ų | 173.8 | 80% | 0.804 | 86% | 0.86 | S | S | * | * | trans | -149.5 | 97.4 | 159 | -61 | 0 | 0 | 0 | 0 | 108.2 | Q22 | S20-Q22 PolarHBondContact O-N 3.21Š| ||
| 21 | E | 31.3 | Very low | 29.5 | Very low | 182 Ų | 182 | 174.7 Ų | 174.7 | 85% | 0.85 | 86% | 0.863 | S | S | * | * | trans | -64 | 111.6 | 163 | -76.8 | -178 | 131 | 0 | 0 | 108.9 | ||||
| 22 | Q | 29.3 | Very low | 29.7 | Very low | 199 Ų | 199 | 178.3 Ų | 178.3 | 93% | 0.93 | 87% | 0.865 | S | S | * | * | trans | -176.1 | 112.2 | 154.6 | -104.3 | 150.7 | 16.9 | 0 | 0 | 109.3 | S20 | S20-Q22 PolarHBondContact O-N 3.21Š| ||
| 23 | G | 29.2 | Very low | 29.6 | Very low | 60 Ų | 60 | 178.6 Ų | 178.6 | 62% | 0.619 | 87% | 0.868 | S | S | * | * | trans | 147.9 | 51.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 24 | Y | 27 | Very low | 29.5 | Very low | 237 Ų | 237 | 175 Ų | 175 | 93% | 0.929 | 87% | 0.869 | S | S | * | * | S | Bend | trans | -144 | 50.5 | 157.3 | -75.4 | -72.7 | 0 | 0 | 0 | 112.3 | ||
| 25 | L | 30.8 | Very low | 29.3 | Very low | 169 Ų | 169 | 171.5 Ų | 171.5 | 89% | 0.885 | 87% | 0.865 | S | S | * | * | S | Bend | trans | -143.2 | 63.5 | 164.6 | -83.3 | 174 | 0 | 0 | 0 | 109.8 | ||
| 26 | T | 33.2 | Very low | 29.2 | Very low | 142 Ų | 142 | 170.2 Ų | 170.2 | 87% | 0.871 | 86% | 0.864 | S | S | * | * | trans | -159.7 | 72.5 | 166.6 | -14.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 27 | R | 30.6 | Very low | 29.1 | Very low | 246 Ų | 246 | 168.5 Ų | 168.5 | 93% | 0.928 | 86% | 0.861 | S | S | * | * | S | Bend | trans | -157.5 | 26.4 | 157.1 | -130.6 | 176.8 | -179.2 | -179 | -0.2 | 118.5 | ||
| 28 | E | 29.9 | Very low | 29.2 | Very low | 195 Ų | 195 | 167.7 Ų | 167.7 | 91% | 0.911 | 86% | 0.861 | S | S | * | * | S | Bend | trans | -128.6 | 15.7 | 175.6 | -93 | -170.6 | 156.1 | 0 | 0 | 116.1 | ||
| 29 | Q | 30.2 | Very low | 29.3 | Very low | 192 Ų | 192 | 169.1 Ų | 169.1 | 90% | 0.897 | 86% | 0.86 | S | S | * | * | S | Bend | trans | -122.1 | 49 | 177.8 | -77.3 | -175.8 | -18.5 | 0 | 0 | 113.6 | ||
| 30 | S | 30.4 | Very low | 29.3 | Very low | 116 Ų | 116 | 165.4 Ų | 165.4 | 81% | 0.811 | 86% | 0.856 | S | S | * | * | S | Bend | trans | -145.8 | 43.2 | 170.5 | -61.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 31 | R | 30.4 | Very low | 29.3 | Very low | 246 Ų | 246 | 165.8 Ų | 165.8 | 93% | 0.928 | 86% | 0.858 | S | S | * | * | S | Bend | trans | -152.1 | 47.8 | 161.8 | -78.6 | -159.9 | -178.6 | 167.8 | 1.5 | 113.1 | ||
| 32 | R | 33.1 | Very low | 29.1 | Very low | 242 Ų | 242 | 163.7 Ų | 163.7 | 91% | 0.913 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -145.1 | 136.8 | 157.9 | -74.4 | -168.2 | 176.6 | 169 | -0.7 | 108.3 | ||
| 33 | M | 29.9 | Very low | 29 | Very low | 192 Ų | 192 | 162.9 Ų | 162.9 | 95% | 0.946 | 85% | 0.849 | S | S | * | * | trans | 93.3 | 80.8 | -177.4 | -53.2 | -157.9 | -113.8 | 0 | 0 | 116.3 | ||||
| 34 | A | 28.8 | Very low | 28.9 | Very low | 104 Ų | 104 | 171.4 Ų | 171.4 | 86% | 0.86 | 86% | 0.862 | S | S | * | * | trans | -167.7 | 89.5 | 137.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 35 | A | 27.3 | Very low | 28.9 | Very low | 100 Ų | 100 | 170.3 Ų | 170.3 | 83% | 0.826 | 86% | 0.863 | S | S | * | * | trans | -177.1 | 85.2 | 149.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 36 | N | 26.3 | Very low | 28.7 | Very low | 155 Ų | 155 | 171 Ų | 171 | 83% | 0.829 | 86% | 0.861 | S | S | * | * | trans | -140.6 | 116.1 | 155.3 | -116 | 2.9 | 0 | 0 | 0 | 107.3 | ||||
| 37 | N | 27.1 | Very low | 28.4 | Very low | 149 Ų | 149 | 169.1 Ų | 169.1 | 80% | 0.797 | 85% | 0.849 | S | S | * | * | trans | 153.5 | 99.2 | 138.5 | -82.1 | -11.7 | 0 | 0 | 0 | 110.6 | ||||
| 38 | I | 29.1 | Very low | 28.4 | Very low | 179 Ų | 179 | 166.6 Ų | 166.6 | 92% | 0.918 | 85% | 0.848 | S | S | * | * | trans | -141.9 | 123.4 | 132.7 | -60.1 | -173.2 | 0 | 0 | 0 | 107.1 | ||||
| 39 | S | 28.5 | Very low | 28.4 | Very low | 100 Ų | 100 | 161.2 Ų | 161.2 | 70% | 0.699 | 85% | 0.845 | S | S | * | * | trans | -100.8 | 145.4 | 179.9 | 38.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 40 | N | 26.8 | Very low | 29.1 | Very low | 154 Ų | 154 | 155.8 Ų | 155.8 | 82% | 0.824 | 84% | 0.84 | S | S | * | * | trans | 61.9 | 120.1 | 149.7 | -78.4 | -8.5 | 0 | 0 | 0 | 122.4 | ||||
| 41 | S | 25.5 | Very low | 29.8 | Very low | 122 Ų | 122 | 156.7 Ų | 156.7 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | -162.8 | 147.8 | 103.6 | 57 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 42 | N | 28.5 | Very low | 30.8 | Very low | 138 Ų | 138 | 149.4 Ų | 149.4 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | trans | -75.9 | 149.1 | -175.7 | -76.1 | -46.3 | 0 | 0 | 0 | 113.2 | ||||
| 43 | H | 26.3 | Very low | 31.8 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | -178 | 131.8 | 116.4 | -93.5 | -51 | 0 | 0 | 0 | 114.3 | |||||
| 44 | R | 27.4 | Very low | 32.6 | Very low | 240 Ų | 240 | 143 Ų | 143 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -0.3 | 132.2 | 157.9 | -83.4 | 174.1 | 165.8 | 170.9 | -4.7 | 119 | ||||
| 45 | K | 27.3 | Very low | 33.5 | Very low | 214 Ų | 214 | 144.3 Ų | 144.3 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | trans | -129.4 | 123.8 | 145.4 | -84.5 | -173.9 | 176.7 | 178.9 | 0 | 111.5 | ||||
| 46 | Q | 25.6 | Very low | 34.7 | Very low | 183 Ų | 183 | 144.9 Ų | 144.9 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | -83.7 | 131.6 | 164.4 | -103.3 | -178.4 | -42.5 | 0 | 0 | 109.6 | ||||
| 47 | V | 27.8 | Very low | 35.8 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 62% | 0.618 | 75% | 0.751 | S | S | * | * | 76.8 | 125.7 | 123.5 | -178.5 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 48 | Q | 30.1 | Very low | 36.7 | Very low | 193 Ų | 193 | 142.6 Ų | 142.6 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | trans | 93 | 134.4 | 141.3 | -88.1 | 156.1 | 15.2 | 0 | 0 | 124.1 | ||||
| 49 | G | 29.8 | Very low | 37.3 | Very low | 83 Ų | 83 | 136.8 Ų | 136.8 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | trans | 107 | 101.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 50 | G | 44.3 | Very low | 37.9 | Very low | 77 Ų | 77 | 142 Ų | 142 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | cis | 128.9 | 74.4 | 30.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 51 | I | 46.1 | Very low | 38.6 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | trans | -135.3 | 115.2 | 162.2 | -60.3 | 174.3 | 0 | 0 | 0 | 105.2 | I53 L56 | I51-I53 PolarHBondContact O-N 2.95Å; I51-L56 HydrophobicContact CG2-CD1 3.66Å | ||
| 52 | D | 50.6 | Low | 39.4 | Very low | 93 Ų | 93 | 141.3 Ų | 141.3 | 50% | 0.497 | 71% | 0.714 | S | S | . | * | trans | -71.5 | 95.1 | -179.5 | -169.3 | -0.6 | 0 | 0 | 0 | 109.7 | Y54 H55 L56 | D52-Y54 PolarHBondContact O-N 3.48Å; D52-Y54 VanDerWaalsContact O-N 3.12Å; D52-Y54 WeakPolarHBondContact OD1-CB 3.35Å; D52-Y54 PolarHBondContact OD1-N 3.49Å; D52-Y54 VanDerWaalsContact OD1-N 3.1Å; D52-H55 PolarHBondContact O-N 3.48Å; D52-H55 IonicContact OD2-CD2 3.44Å; D52-H55 PolarHBondContact OD2-CD2 3.44Å; D52-L56 PolarHBondContact O-N 3.37Å | ||
| 53 | I | 55.3 | Low | 40.2 | Very low | 114 Ų | 114 | 143 Ų | 143 | 59% | 0.585 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -55.8 | -26.7 | 177.7 | -62.5 | 176.9 | 0 | 0 | 0 | 110.3 | I51 H55 L56 L57 | I51-I53 PolarHBondContact O-N 2.95Å; I53-H55 PolarHBondContact O-N 2.93Å; I53-L56 PolarHBondContact O-N 2.93Å; I53-L57 HydrophobicContact CG2-CD1 3.71Å; I53-L57 HydrophobicContact CG2-CG 3.97Å; I53-L57 WeakPolarHBondContact O-CB 3.34Å; I53-L57 VanDerWaalsContact O-CG 3.26Å; I53-L57 WeakPolarHBondContact O-CG 3.29Å; I53-L57 PolarHBondContact O-N 2.65Å |
| 54 | Y | 45.2 | Very low | 41.2 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 73% | 0.725 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -65.4 | -36 | 177.3 | -90.4 | -91.9 | 0 | 0 | 0 | 113 | D52 K58 | D52-Y54 PolarHBondContact O-N 3.48Å; D52-Y54 VanDerWaalsContact O-N 3.12Å; D52-Y54 WeakPolarHBondContact OD1-CB 3.35Å; D52-Y54 PolarHBondContact OD1-N 3.49Å; D52-Y54 VanDerWaalsContact OD1-N 3.1Å; Y54-K58 VanDerWaalsContact O-CB 3.29Å; Y54-K58 WeakPolarHBondContact O-CB 3.26Å; Y54-K58 PolarHBondContact O-N 3Å |
| 55 | H | 49.7 | Very low | 42 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 62% | 0.616 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -74.6 | -34.7 | 177.2 | -94.1 | -84.4 | 0 | 0 | 0 | 112.6 | D52 I53 K58 A59 | D52-H55 PolarHBondContact O-N 3.48Å; D52-H55 IonicContact OD2-CD2 3.44Å; D52-H55 PolarHBondContact OD2-CD2 3.44Å; I53-H55 PolarHBondContact O-N 2.93Å; H55-K58 PolarHBondContact O-N 3.07Å; H55-A59 WeakPolarHBondContact O-CB 3.02Å; H55-A59 PolarHBondContact O-N 2.9Å |
| 56 | L | 52.2 | Low | 43.2 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 58% | 0.581 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -69.3 | -38.4 | 172.4 | -79.7 | 165.6 | 0 | 0 | 0 | 112 | I51 D52 I53 K58 A59 R60 | I51-L56 HydrophobicContact CG2-CD1 3.66Å; D52-L56 PolarHBondContact O-N 3.37Å; I53-L56 PolarHBondContact O-N 2.93Å; L56-K58 VanDerWaalsContact C-N 3.35Å; L56-A59 PolarHBondContact O-N 3.23Å; L56-R60 WeakPolarHBondContact O-CB 3.47Å; L56-R60 PolarHBondContact O-N 3.41Å |
| 57 | L | 48.8 | Very low | 44.9 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 54% | 0.539 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -67.6 | -34 | 173.5 | -72.5 | 172.7 | 0 | 0 | 0 | 112.1 | I53 K61 | I53-L57 HydrophobicContact CG2-CD1 3.71Å; I53-L57 HydrophobicContact CG2-CG 3.97Å; I53-L57 WeakPolarHBondContact O-CB 3.34Å; I53-L57 VanDerWaalsContact O-CG 3.26Å; I53-L57 WeakPolarHBondContact O-CG 3.29Å; I53-L57 PolarHBondContact O-N 2.65Å; L57-K61 WeakPolarHBondContact O-CB 3.47Å; L57-K61 PolarHBondContact O-N 3.22Å |
| 58 | K | 45.6 | Very low | 46.5 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -74.1 | -35.6 | 176.2 | -163.1 | 172.7 | -176.6 | 178.6 | 0 | 112.6 | Y54 H55 L56 K61 S62 | Y54-K58 VanDerWaalsContact O-CB 3.29Å; Y54-K58 WeakPolarHBondContact O-CB 3.26Å; Y54-K58 PolarHBondContact O-N 3Å; H55-K58 PolarHBondContact O-N 3.07Å; L56-K58 VanDerWaalsContact C-N 3.35Å; K58-K61 WeakPolarHBondContact O-CB 3.47Å; K58-K61 PolarHBondContact O-N 2.65Å; K58-S62 PolarHBondContact O-OG 3.1Å |
| 59 | A | 41.8 | Very low | 48.8 | Very low | 57 Ų | 57 | 133.3 Ų | 133.3 | 47% | 0.471 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -72.9 | -29.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | H55 L56 K61 S62 | H55-A59 WeakPolarHBondContact O-CB 3.02Å; H55-A59 PolarHBondContact O-N 2.9Å; L56-A59 PolarHBondContact O-N 3.23Å; A59-K61 VanDerWaalsContact C-N 3.33Å; A59-S62 PolarHBondContact O-N 3.3Å; A59-S62 PolarHBondContact O-OG 3.2Å |
| 60 | R | 40.8 | Very low | 51.4 | Low | 209 Ų | 209 | 132.3 Ų | 132.3 | 79% | 0.789 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -78 | -18 | 171.2 | -142.5 | -179 | -168.7 | -176.1 | 2.8 | 113.2 | L56 S62 | L56-R60 WeakPolarHBondContact O-CB 3.47Å; L56-R60 PolarHBondContact O-N 3.41Å; R60-S62 PolarHBondContact O-N 2.96Å |
| 61 | K | 42 | Very low | 53.3 | Low | 168 Ų | 168 | 129.1 Ų | 129.1 | 73% | 0.73 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -7.1 | 172.4 | -140.9 | 178.1 | -174.4 | -178.7 | 0 | 113.5 | L57 K58 A59 | L57-K61 WeakPolarHBondContact O-CB 3.47Å; L57-K61 PolarHBondContact O-N 3.22Å; K58-K61 WeakPolarHBondContact O-CB 3.47Å; K58-K61 PolarHBondContact O-N 2.65Å; A59-K61 VanDerWaalsContact C-N 3.33Å |
| 62 | S | 41.7 | Very low | 55.2 | Low | 93 Ų | 93 | 128.2 Ų | 128.2 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | 9.3 | -174.4 | 31.9 | 0 | 0 | 0 | 0 | 113.7 | K58 A59 R60 | K58-S62 PolarHBondContact O-OG 3.1Å; A59-S62 PolarHBondContact O-N 3.3Å; A59-S62 PolarHBondContact O-OG 3.2Å; R60-S62 PolarHBondContact O-N 2.96Å |
| 63 | K | 46.6 | Very low | 56.9 | Low | 174 Ų | 174 | 131.2 Ų | 131.2 | 76% | 0.757 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -124.9 | 115.1 | 168.6 | -78.8 | -173.5 | 172.4 | -175.1 | 0 | 109.1 | ||
| 64 | E | 46.3 | Very low | 58.5 | Low | 175 Ų | 175 | 128.1 Ų | 128.1 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | trans | 72.1 | 65.4 | 174.2 | -65.3 | 162.7 | -161.6 | 0 | 0 | 115.8 | ||||
| 65 | Q | 45.5 | Very low | 60.7 | Low | 173 Ų | 173 | 122.5 Ų | 122.5 | 81% | 0.808 | 61% | 0.608 | S | S | * | * | trans | -88.2 | 68.5 | 134.3 | -92.3 | 155.7 | -21.6 | 0 | 0 | 107.6 | G67 | Q65-G67 PolarHBondContact O-N 3.45Š| ||
| 66 | E | 52.6 | Low | 62.4 | Low | 176 Ų | 176 | 119.6 Ų | 119.6 | 82% | 0.822 | 60% | 0.601 | S | S | * | * | trans | -67.4 | 83 | 143.2 | -74 | -170.9 | 168.5 | 0 | 0 | 104.6 | F68 | E66-F68 PolarHBondContact O-N 3.3Š| ||
| 67 | G | 60.2 | Low | 64.2 | Low | 58 Ų | 58 | 120.5 Ų | 120.5 | 60% | 0.598 | 60% | 0.602 | S | S | * | * | trans | -52.9 | 134.7 | 173 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q65 I69 | Q65-G67 PolarHBondContact O-N 3.45Å; G67-I69 PolarHBondContact O-N 2.92Å | ||
| 68 | F | 62.3 | Low | 66.2 | Low | 208 Ų | 208 | 119.9 Ų | 119.9 | 91% | 0.912 | 60% | 0.599 | S | S | * | * | trans | -45.4 | 129.6 | 172.8 | -83.6 | -88.3 | 0 | 0 | 0 | 108.8 | E66 N70 | E66-F68 PolarHBondContact O-N 3.3Å; F68-N70 PolarHBondContact O-N 3.17Å | ||
| 69 | I | 77.2 | Confident | 68.3 | Low | 121 Ų | 121 | 112.6 Ų | 112.6 | 62% | 0.621 | 57% | 0.567 | S | S | * | * | trans | -56.2 | 117.9 | 179.5 | -63 | 170.1 | 0 | 0 | 0 | 107.2 | G67 L71 L74 | G67-I69 PolarHBondContact O-N 2.92Å; I69-L71 PolarHBondContact O-N 3.04Å; I69-L74 HydrophobicContact CG2-CD1 3.88Å; I69-L74 HydrophobicContact CG2-CD2 3.92Å; I69-L74 HydrophobicContact CG2-CG 3.93Å | ||
| 70 | N | 84.2 | Confident | 70.6 | Confident | 61 Ų | 61 | 113.1 Ų | 113.1 | 33% | 0.326 | 56% | 0.559 | S | S | . | * | trans | -73.1 | 117.5 | 173.1 | -175.2 | -2 | 0 | 0 | 0 | 108 | F68 E72 M73 W98 | F68-N70 PolarHBondContact O-N 3.17Å; N70-E72 PolarHBondContact ND2-OE2 2.91Å; N70-E72 PolarHBondContact O-N 3.05Å; N70-E72 PolarHBondContact OD1-N 3.35Å; N70-E72 VanDerWaalsContact OD1-N 3.1Å; N70-M73 HydrophobicContact CB-CG 3.95Å; N70-M73 WeakPolarHBondContact O-CB 3.46Å; N70-M73 PolarHBondContact O-N 2.87Å; N70-W98 PolarHBondContact OD1-NE1 3.32Å | ||
| 71 | L | 84.3 | Confident | 72.9 | Confident | 10 Ų | 10 | 106.5 Ų | 106.5 | 5% | 0.052 | 54% | 0.542 | C | S | . | . | G | 310 helix | trans | -61.1 | -25 | -179.9 | -64.3 | 179.9 | 0 | 0 | 0 | 112.8 | I69 M73 L74 S79 I82 L83 W98 L101 | I69-L71 PolarHBondContact O-N 3.04Å; L71-M73 PolarHBondContact O-N 2.96Å; L71-L74 HydrophobicContact CD2-CD1 3.81Å; L71-L74 PolarHBondContact O-N 3.41Å; L71-S79 PolarHBondContact O-OG 3.4Å; L71-I82 HydrophobicContact CD2-CB 4.41Å; L71-I82 HydrophobicContact CD2-CD1 3.71Å; L71-I82 HydrophobicContact CD2-CG2 4.2Å; L71-L83 HydrophobicContact CD1-CD1 4.29Å; L71-L83 HydrophobicContact CD1-CD2 3.64Å; L71-L83 HydrophobicContact CD1-CG 3.87Å; L71-W98 HydrophobicContact CB-CD2 4.21Å; L71-W98 HydrophobicContact CB-CG 4.46Å; L71-W98 HydrophobicContact CB-CZ2 4.18Å; L71-W98 HydrophobicContact CD1-CD2 3.79Å; L71-W98 HydrophobicContact CD1-CE3 3.6Å; L71-W98 HydrophobicContact CD1-CH2 3.72Å; L71-W98 HydrophobicContact CD1-CZ2 3.91Å; L71-W98 HydrophobicContact CD1-CZ3 3.56Å; L71-W98 HydrophobicContact CG-CD2 4.19Å; L71-W98 HydrophobicContact CG-CE3 4.4Å; L71-W98 HydrophobicContact CG-CH2 3.91Å; L71-W98 HydrophobicContact CG-CZ2 3.69Å; L71-W98 HydrophobicContact CG-CZ3 4.26Å; L71-L101 HydrophobicContact CB-CD1 4.13Å |
| 72 | E | 86.1 | Confident | 75.3 | Confident | 117 Ų | 117 | 102.4 Ų | 102.4 | 55% | 0.547 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -67 | -21.2 | 174.2 | -66.8 | 171.5 | 172.9 | 0 | 0 | 112.9 | N70 L74 L101 | N70-E72 PolarHBondContact ND2-OE2 2.91Å; N70-E72 PolarHBondContact O-N 3.05Å; N70-E72 PolarHBondContact OD1-N 3.35Å; N70-E72 VanDerWaalsContact OD1-N 3.1Å; E72-L74 VanDerWaalsContact C-N 3.35Å; E72-L101 HydrophobicContact CG-CD1 4.14Å |
| 73 | M | 87 | Confident | 77.7 | Confident | 155 Ų | 155 | 98 Ų | 98 | 76% | 0.764 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -87.7 | -7.4 | 179.4 | -62.1 | -60.2 | -49 | 0 | 0 | 112.9 | N70 L71 | N70-M73 HydrophobicContact CB-CG 3.95Å; N70-M73 WeakPolarHBondContact O-CB 3.46Å; N70-M73 PolarHBondContact O-N 2.87Å; L71-M73 PolarHBondContact O-N 2.96Å |
| 74 | L | 88.9 | Confident | 79.9 | Confident | 50 Ų | 50 | 93 Ų | 93 | 26% | 0.262 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -91.2 | 156.9 | 177.1 | -62.5 | 178.2 | 0 | 0 | 0 | 110.6 | I69 L71 E72 L78 S79 I82 | I69-L74 HydrophobicContact CG2-CD1 3.88Å; I69-L74 HydrophobicContact CG2-CD2 3.92Å; I69-L74 HydrophobicContact CG2-CG 3.93Å; L71-L74 HydrophobicContact CD2-CD1 3.81Å; L71-L74 PolarHBondContact O-N 3.41Å; E72-L74 VanDerWaalsContact C-N 3.35Å; L74-L78 HydrophobicContact CB-CB 4.48Å; L74-S79 WeakPolarHBondContact CB-OG 3.27Å; L74-I82 HydrophobicContact CD1-CD1 3.87Å |
| 75 | P | 91.3 | Very high | 82 | Confident | 67 Ų | 67 | 93.8 Ų | 93.8 | 44% | 0.435 | 48% | 0.48 | S | S | . | . | trans | -47.6 | 132.3 | 162.5 | -27 | 33.1 | 0 | 0 | 0 | 111.1 | E77 L78 S79 | P75-E77 PolarHBondContact O-N 3.1Å; P75-E77 VanDerWaalsContact O-N 3.07Å; P75-L78 HydrophobicContact CB-CD1 4.33Å; P75-L78 HydrophobicContact CB-CG 4.4Å; P75-L78 HydrophobicContact CG-CD1 4.03Å; P75-L78 WeakPolarHBondContact O-CB 3.49Å; P75-L78 PolarHBondContact O-N 3.31Å; P75-S79 PolarHBondContact O-N 3.49Å; P75-S79 PolarHBondContact O-OG 3.38Å | ||
| 76 | P | 86 | Confident | 84.3 | Confident | 71 Ų | 71 | 88 Ų | 88 | 46% | 0.461 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -52.4 | -36.1 | -175.1 | -27.7 | 34.3 | 0 | 0 | 0 | 113.5 | L78 S79 F80 | P76-L78 VanDerWaalsContact C-N 3.3Å; P76-L78 PolarHBondContact O-N 3.47Å; P76-S79 PolarHBondContact O-N 3.45Å; P76-F80 HydrophobicContact CB-CD2 4.28Å; P76-F80 HydrophobicContact CB-CE2 4.05Å; P76-F80 WeakPolarHBondContact O-CD2 3.36Å; P76-F80 WeakPolarHBondContact O-CG 3.32Å; P76-F80 PolarHBondContact O-N 3.06Å |
| 77 | E | 89.2 | Confident | 86.1 | Confident | 130 Ų | 130 | 83.4 Ų | 83.4 | 61% | 0.607 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.9 | -39.5 | 179.3 | -57 | 77.5 | -169.4 | 0 | 0 | 111.7 | P75 T81 | P75-E77 PolarHBondContact O-N 3.1Å; P75-E77 VanDerWaalsContact O-N 3.07Å; E77-T81 VanDerWaalsContact O-CB 3.26Å; E77-T81 WeakPolarHBondContact O-CB 3.33Å; E77-T81 PolarHBondContact O-N 3.12Å; E77-T81 PolarHBondContact O-OG1 2.93Å |
| 78 | L | 90 | Very high | 87.7 | Confident | 91 Ų | 91 | 81.1 Ų | 81.1 | 48% | 0.476 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -71.9 | -40.6 | 177.6 | -67.4 | 177.5 | 0 | 0 | 0 | 110.9 | L74 P75 P76 T81 I82 | L74-L78 HydrophobicContact CB-CB 4.48Å; P75-L78 HydrophobicContact CB-CD1 4.33Å; P75-L78 HydrophobicContact CB-CG 4.4Å; P75-L78 HydrophobicContact CG-CD1 4.03Å; P75-L78 WeakPolarHBondContact O-CB 3.49Å; P75-L78 PolarHBondContact O-N 3.31Å; P76-L78 VanDerWaalsContact C-N 3.3Å; P76-L78 PolarHBondContact O-N 3.47Å; L78-T81 PolarHBondContact O-N 2.91Å; L78-I82 VanDerWaalsContact O-CG1 3.26Å; L78-I82 WeakPolarHBondContact O-CG1 3.26Å; L78-I82 PolarHBondContact O-N 2.8Å |
| 79 | S | 90.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.007 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 177.9 | -51.6 | 0 | 0 | 0 | 0 | 111.6 | L71 L74 P75 P76 T81 I82 L83 | L71-S79 PolarHBondContact O-OG 3.4Å; L74-S79 WeakPolarHBondContact CB-OG 3.27Å; P75-S79 PolarHBondContact O-N 3.49Å; P75-S79 PolarHBondContact O-OG 3.38Å; P76-S79 PolarHBondContact O-N 3.45Å; S79-T81 VanDerWaalsContact C-N 3.33Å; S79-T81 PolarHBondContact O-N 3.31Å; S79-I82 PolarHBondContact O-N 2.86Å; S79-L83 WeakPolarHBondContact O-CG 3.36Å; S79-L83 PolarHBondContact O-N 2.84Å |
| 80 | F | 90.1 | Very high | 89.9 | Confident | 68 Ų | 68 | 73.2 Ų | 73.2 | 30% | 0.298 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 175.5 | -69.4 | -54.2 | 0 | 0 | 0 | 112.3 | P76 I82 L83 S84 L101 D104 | P76-F80 HydrophobicContact CB-CD2 4.28Å; P76-F80 HydrophobicContact CB-CE2 4.05Å; P76-F80 WeakPolarHBondContact O-CD2 3.36Å; P76-F80 WeakPolarHBondContact O-CG 3.32Å; P76-F80 PolarHBondContact O-N 3.06Å; F80-I82 PolarHBondContact O-N 3.5Å; F80-L83 PolarHBondContact O-N 3.44Å; F80-S84 VanDerWaalsContact O-CB 3.27Å; F80-S84 WeakPolarHBondContact O-CB 3.26Å; F80-S84 PolarHBondContact O-N 3.42Å; F80-L101 HydrophobicContact CD1-CD2 4.42Å; F80-L101 HydrophobicContact CE1-CB 4.48Å; F80-L101 HydrophobicContact CE1-CD2 3.79Å; F80-L101 HydrophobicContact CE2-CD2 4.31Å; F80-L101 HydrophobicContact CZ-CD2 3.73Å; F80-D104 HydrophobicContact CD1-CB 4.3Å; F80-D104 HydrophobicContact CE1-CB 3.57Å; F80-D104 HydrophobicContact CZ-CB 4.31Å |
| 81 | T | 90.1 | Very high | 90.3 | Very high | 70 Ų | 70 | 70.3 Ų | 70.3 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 174.9 | -62.5 | 0 | 0 | 0 | 0 | 110.8 | E77 L78 S79 S84 Y85 | E77-T81 VanDerWaalsContact O-CB 3.26Å; E77-T81 WeakPolarHBondContact O-CB 3.33Å; E77-T81 PolarHBondContact O-N 3.12Å; E77-T81 PolarHBondContact O-OG1 2.93Å; L78-T81 PolarHBondContact O-N 2.91Å; S79-T81 VanDerWaalsContact C-N 3.33Å; S79-T81 PolarHBondContact O-N 3.31Å; T81-S84 PolarHBondContact O-N 2.97Å; T81-S84 PolarHBondContact O-OG 3.3Å; T81-Y85 HydrophobicContact CG2-CE2 3.88Å; T81-Y85 WeakPolarHBondContact O-CD2 3.33Å; T81-Y85 WeakPolarHBondContact O-CE2 3.24Å |
| 82 | I | 91.7 | Very high | 90.7 | Very high | 81 Ų | 81 | 71.8 Ų | 71.8 | 42% | 0.415 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 178.1 | -68.7 | 163 | 0 | 0 | 0 | 110.8 | L71 L74 L78 S79 F80 S84 Y85 | L71-I82 HydrophobicContact CD2-CB 4.41Å; L71-I82 HydrophobicContact CD2-CD1 3.71Å; L71-I82 HydrophobicContact CD2-CG2 4.2Å; L74-I82 HydrophobicContact CD1-CD1 3.87Å; L78-I82 VanDerWaalsContact O-CG1 3.26Å; L78-I82 WeakPolarHBondContact O-CG1 3.26Å; L78-I82 PolarHBondContact O-N 2.8Å; S79-I82 PolarHBondContact O-N 2.86Å; F80-I82 PolarHBondContact O-N 3.5Å; I82-S84 VanDerWaalsContact C-N 3.27Å; I82-S84 PolarHBondContact O-N 3.08Å; I82-Y85 PolarHBondContact O-N 2.87Å |
| 83 | L | 92.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.9 | -27.1 | -178.1 | -65.5 | 173.3 | 0 | 0 | 0 | 112.6 | L71 S79 F80 Y85 L86 L91 A94 W98 L101 L107 | L71-L83 HydrophobicContact CD1-CD1 4.29Å; L71-L83 HydrophobicContact CD1-CD2 3.64Å; L71-L83 HydrophobicContact CD1-CG 3.87Å; S79-L83 WeakPolarHBondContact O-CG 3.36Å; S79-L83 PolarHBondContact O-N 2.84Å; F80-L83 PolarHBondContact O-N 3.44Å; L83-Y85 PolarHBondContact O-N 3.41Å; L83-L86 HydrophobicContact CD2-CD1 3.69Å; L83-L86 WeakPolarHBondContact O-CB 3.47Å; L83-L86 PolarHBondContact O-N 2.61Å; L83-L91 HydrophobicContact CB-CD1 4.38Å; L83-A94 HydrophobicContact CD2-CB 4.04Å; L83-W98 HydrophobicContact CD2-CE3 4.34Å; L83-L101 HydrophobicContact CD1-CB 3.64Å; L83-L107 HydrophobicContact CB-CD1 3.39Å; L83-L107 HydrophobicContact CD1-CD1 4.38Å |
| 84 | S | 91.5 | Very high | 91.3 | Very high | 69 Ų | 69 | 64.4 Ų | 64.4 | 48% | 0.483 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.6 | -18.1 | 177.6 | 76.7 | 0 | 0 | 0 | 0 | 114.1 | F80 T81 I82 L86 | F80-S84 VanDerWaalsContact O-CB 3.27Å; F80-S84 WeakPolarHBondContact O-CB 3.26Å; F80-S84 PolarHBondContact O-N 3.42Å; T81-S84 PolarHBondContact O-N 2.97Å; T81-S84 PolarHBondContact O-OG 3.3Å; I82-S84 VanDerWaalsContact C-N 3.27Å; I82-S84 PolarHBondContact O-N 3.08Å; S84-L86 VanDerWaalsContact C-N 3.33Å |
| 85 | Y | 91.5 | Very high | 91.4 | Very high | 191 Ų | 191 | 62.9 Ų | 62.9 | 75% | 0.749 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -7.5 | 174.8 | -68.3 | -69.7 | 0 | 0 | 0 | 113.5 | T81 I82 L83 | T81-Y85 HydrophobicContact CG2-CE2 3.88Å; T81-Y85 WeakPolarHBondContact O-CD2 3.33Å; T81-Y85 WeakPolarHBondContact O-CE2 3.24Å; I82-Y85 PolarHBondContact O-N 2.87Å; L83-Y85 PolarHBondContact O-N 3.41Å |
| 86 | L | 92.4 | Very high | 91.4 | Very high | 51 Ų | 51 | 64.4 Ų | 64.4 | 27% | 0.267 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -80.8 | 145.7 | 179.2 | -59.4 | -176.1 | 0 | 0 | 0 | 111.1 | L83 S84 D90 L91 A94 | L83-L86 HydrophobicContact CD2-CD1 3.69Å; L83-L86 WeakPolarHBondContact O-CB 3.47Å; L83-L86 PolarHBondContact O-N 2.61Å; S84-L86 VanDerWaalsContact C-N 3.33Å; L86-D90 HydrophobicContact CB-CB 3.97Å; L86-D90 HydrophobicContact CD1-CB 4.37Å; L86-D90 HydrophobicContact CD2-CB 4.12Å; L86-D90 HydrophobicContact CG-CB 4.38Å; L86-L91 HydrophobicContact CB-CB 4.45Å; L86-A94 HydrophobicContact CD1-CB 4.12Å |
| 87 | N | 92.4 | Very high | 91.6 | Very high | 81 Ų | 81 | 65.7 Ų | 65.7 | 43% | 0.433 | 36% | 0.357 | S | S | . | . | trans | -76.2 | 172.2 | 166.9 | 65.3 | 54.6 | 0 | 0 | 0 | 110.3 | T89 D90 L91 | N87-T89 VanDerWaalsContact C-N 3.29Å; N87-T89 PolarHBondContact O-N 2.91Å; N87-T89 WeakPolarHBondContact OD1-CB 3.21Å; N87-T89 PolarHBondContact OD1-N 3.48Å; N87-D90 VanDerWaalsContact CG-OD2 3.31Å; N87-D90 PolarHBondContact ND2-OD2 3.17Å; N87-D90 PolarHBondContact O-N 3.43Å; N87-D90 PolarHBondContact OD1-N 2.92Å; N87-D90 PolarHBondContact OD1-OD2 2.7Å; N87-L91 VanDerWaalsContact O-CB 3.28Å; N87-L91 WeakPolarHBondContact O-CB 3.21Å; N87-L91 PolarHBondContact O-N 3.45Å | ||
| 88 | A | 91.9 | Very high | 91.7 | Very high | 9 Ų | 9 | 62.1 Ų | 62.1 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.3 | -37.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | C92 W108 L111 Y136 | A88-C92 WeakPolarHBondContact O-CB 3.43Å; A88-C92 PolarHBondContact O-N 3.18Å; A88-C92 PolarHBondContact O-SG 3.32Å; A88-W108 HydrophobicContact CB-CH2 4.31Å; A88-W108 HydrophobicContact CB-CZ3 4.1Å; A88-L111 HydrophobicContact CB-CD2 3.8Å; A88-Y136 HydrophobicContact CB-CD1 4.07Å; A88-Y136 HydrophobicContact CB-CE1 3.32Å; A88-Y136 HydrophobicContact CB-CE2 4.05Å; A88-Y136 WeakPolarHBondContact CB-OH 3.34Å |
| 89 | T | 92.9 | Very high | 91.5 | Very high | 98 Ų | 98 | 64 Ų | 64 | 60% | 0.601 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.6 | -49.8 | 179.8 | -54.4 | 0 | 0 | 0 | 0 | 110.4 | N87 L91 C92 L93 | N87-T89 VanDerWaalsContact C-N 3.29Å; N87-T89 PolarHBondContact O-N 2.91Å; N87-T89 WeakPolarHBondContact OD1-CB 3.21Å; N87-T89 PolarHBondContact OD1-N 3.48Å; T89-L91 VanDerWaalsContact C-N 3.27Å; T89-L91 PolarHBondContact O-N 2.84Å; T89-C92 WeakPolarHBondContact O-CB 3.45Å; T89-C92 PolarHBondContact O-N 3.29Å; T89-C92 VanDerWaalsContact O-N 3.15Å; T89-L93 WeakPolarHBondContact O-CG 3.28Å; T89-L93 PolarHBondContact O-N 3.36Å |
| 90 | D | 93.8 | Very high | 91.4 | Very high | 66 Ų | 66 | 70.9 Ų | 70.9 | 35% | 0.353 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.3 | -35.5 | 178.9 | -65.6 | -31 | 0 | 0 | 0 | 111.3 | L86 N87 L93 A94 | L86-D90 HydrophobicContact CB-CB 3.97Å; L86-D90 HydrophobicContact CD1-CB 4.37Å; L86-D90 HydrophobicContact CD2-CB 4.12Å; L86-D90 HydrophobicContact CG-CB 4.38Å; N87-D90 VanDerWaalsContact CG-OD2 3.31Å; N87-D90 PolarHBondContact ND2-OD2 3.17Å; N87-D90 PolarHBondContact O-N 3.43Å; N87-D90 PolarHBondContact OD1-N 2.92Å; N87-D90 PolarHBondContact OD1-OD2 2.7Å; D90-L93 PolarHBondContact O-N 2.91Å; D90-A94 WeakPolarHBondContact O-CB 3.05Å; D90-A94 PolarHBondContact O-N 3.22Å |
| 91 | L | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.1 | -37.8 | 174.4 | -171.1 | 68.9 | 0 | 0 | 0 | 112.3 | L83 L86 N87 T89 L93 A94 S95 A102 L107 W108 L111 | L83-L91 HydrophobicContact CB-CD1 4.38Å; L86-L91 HydrophobicContact CB-CB 4.45Å; N87-L91 VanDerWaalsContact O-CB 3.28Å; N87-L91 WeakPolarHBondContact O-CB 3.21Å; N87-L91 PolarHBondContact O-N 3.45Å; T89-L91 VanDerWaalsContact C-N 3.27Å; T89-L91 PolarHBondContact O-N 2.84Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-A94 PolarHBondContact O-N 3.07Å; L91-S95 PolarHBondContact O-N 2.79Å; L91-A102 HydrophobicContact CD1-CB 3.98Å; L91-L107 HydrophobicContact CD1-CD1 3.89Å; L91-L107 HydrophobicContact CD1-CD2 3.59Å; L91-L107 HydrophobicContact CD1-CG 4.41Å; L91-L107 HydrophobicContact CD2-CD2 3.26Å; L91-L107 HydrophobicContact CG-CD2 4.04Å; L91-W108 HydrophobicContact CB-CZ2 4.39Å; L91-W108 HydrophobicContact CD2-CD2 3.77Å; L91-W108 HydrophobicContact CD2-CE3 4.23Å; L91-W108 HydrophobicContact CD2-CG 4.33Å; L91-W108 HydrophobicContact CD2-CH2 3.93Å; L91-W108 HydrophobicContact CD2-CZ2 3.43Å; L91-W108 VanDerWaalsContact CD2-CZ2 3.43Å; L91-W108 HydrophobicContact CD2-CZ3 4.3Å; L91-W108 HydrophobicContact CG-CZ2 3.9Å; L91-L111 HydrophobicContact CD2-CD2 4.23Å |
| 92 | C | 92.1 | Very high | 91.3 | Very high | 40 Ų | 40 | 65.5 Ų | 65.5 | 27% | 0.27 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 171.6 | -72.8 | 0 | 0 | 0 | 0 | 111.5 | A88 T89 S95 | A88-C92 WeakPolarHBondContact O-CB 3.43Å; A88-C92 PolarHBondContact O-N 3.18Å; A88-C92 PolarHBondContact O-SG 3.32Å; T89-C92 WeakPolarHBondContact O-CB 3.45Å; T89-C92 PolarHBondContact O-N 3.29Å; T89-C92 VanDerWaalsContact O-N 3.15Å; C92-S95 PolarHBondContact O-N 3.18Å; C92-S95 PolarHBondContact O-OG 3.33Å |
| 93 | L | 93.3 | Very high | 91.2 | Very high | 110 Ų | 110 | 64.3 Ų | 64.3 | 58% | 0.576 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.2 | -41.8 | 174 | -66.6 | 174 | 0 | 0 | 0 | 111.6 | T89 D90 L91 S95 C96 | T89-L93 WeakPolarHBondContact O-CG 3.28Å; T89-L93 PolarHBondContact O-N 3.36Å; D90-L93 PolarHBondContact O-N 2.91Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L93-S95 PolarHBondContact O-N 3.06Å; L93-C96 VanDerWaalsContact O-CB 3.28Å; L93-C96 WeakPolarHBondContact O-CB 3.28Å; L93-C96 PolarHBondContact O-N 3.32Å |
| 94 | A | 91.5 | Very high | 91.2 | Very high | 8 Ų | 8 | 66.4 Ų | 66.4 | 7% | 0.066 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.8 | -36.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | L83 L86 D90 L91 C96 V97 W98 A102 | L83-A94 HydrophobicContact CD2-CB 4.04Å; L86-A94 HydrophobicContact CD1-CB 4.12Å; D90-A94 WeakPolarHBondContact O-CB 3.05Å; D90-A94 PolarHBondContact O-N 3.22Å; L91-A94 PolarHBondContact O-N 3.07Å; A94-C96 PolarHBondContact O-N 2.94Å; A94-V97 PolarHBondContact O-N 3.33Å; A94-W98 HydrophobicContact CB-CE3 4.06Å; A94-W98 HydrophobicContact CB-CZ3 4.43Å; A94-W98 PolarHBondContact O-N 2.97Å; A94-A102 HydrophobicContact CB-CB 3.99Å |
| 95 | S | 91.3 | Very high | 91.2 | Very high | 17 Ų | 17 | 66.4 Ų | 66.4 | 12% | 0.119 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -18.3 | 176.5 | 82.4 | 0 | 0 | 0 | 0 | 114.5 | L91 C92 L93 V97 Q99 | L91-S95 PolarHBondContact O-N 2.79Å; C92-S95 PolarHBondContact O-N 3.18Å; C92-S95 PolarHBondContact O-OG 3.33Å; L93-S95 PolarHBondContact O-N 3.06Å; S95-V97 PolarHBondContact O-N 3.44Å; S95-Q99 WeakPolarHBondContact O-CG 3.38Å |
| 96 | C | 91.4 | Very high | 91.2 | Very high | 100 Ų | 100 | 63.2 Ų | 63.2 | 68% | 0.676 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -21.7 | 171.6 | -64.8 | 0 | 0 | 0 | 0 | 113 | L93 A94 | L93-C96 VanDerWaalsContact O-CB 3.28Å; L93-C96 WeakPolarHBondContact O-CB 3.28Å; L93-C96 PolarHBondContact O-N 3.32Å; A94-C96 PolarHBondContact O-N 2.94Å |
| 97 | V | 90.9 | Very high | 91.2 | Very high | 98 Ų | 98 | 61.5 Ų | 61.5 | 59% | 0.594 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | -44.2 | -176.8 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | A94 S95 | A94-V97 PolarHBondContact O-N 3.33Å; S95-V97 PolarHBondContact O-N 3.44Å |
| 98 | W | 90.3 | Very high | 91.4 | Very high | 55 Ų | 55 | 57.7 Ų | 57.7 | 21% | 0.208 | 32% | 0.317 | C | S | . | . | trans | -118.3 | 70.2 | -176.6 | -57.9 | -58.9 | 0 | 0 | 0 | 110.3 | N70 L71 L83 A94 D100 L101 A102 | N70-W98 PolarHBondContact OD1-NE1 3.32Å; L71-W98 HydrophobicContact CB-CD2 4.21Å; L71-W98 HydrophobicContact CB-CG 4.46Å; L71-W98 HydrophobicContact CB-CZ2 4.18Å; L71-W98 HydrophobicContact CD1-CD2 3.79Å; L71-W98 HydrophobicContact CD1-CE3 3.6Å; L71-W98 HydrophobicContact CD1-CH2 3.72Å; L71-W98 HydrophobicContact CD1-CZ2 3.91Å; L71-W98 HydrophobicContact CD1-CZ3 3.56Å; L71-W98 HydrophobicContact CG-CD2 4.19Å; L71-W98 HydrophobicContact CG-CE3 4.4Å; L71-W98 HydrophobicContact CG-CH2 3.91Å; L71-W98 HydrophobicContact CG-CZ2 3.69Å; L71-W98 HydrophobicContact CG-CZ3 4.26Å; L83-W98 HydrophobicContact CD2-CE3 4.34Å; A94-W98 HydrophobicContact CB-CE3 4.06Å; A94-W98 HydrophobicContact CB-CZ3 4.43Å; A94-W98 PolarHBondContact O-N 2.97Å; W98-D100 PolarHBondContact O-N 3.03Å; W98-L101 HydrophobicContact CB-CB 4.22Å; W98-L101 HydrophobicContact CB-CD1 4.39Å; W98-L101 PolarHBondContact O-N 3.28Å; W98-A102 VanDerWaalsContact O-CB 3.24Å; W98-A102 WeakPolarHBondContact O-CB 3.34Å; W98-A102 PolarHBondContact O-N 2.96Å | ||
| 99 | Q | 87.1 | Confident | 91.5 | Very high | 129 Ų | 129 | 59.8 Ų | 59.8 | 60% | 0.603 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -56.4 | -50.2 | -172 | -80.6 | -174.9 | -1.5 | 0 | 0 | 113.3 | S95 N103 | S95-Q99 WeakPolarHBondContact O-CG 3.38Å; Q99-N103 VanDerWaalsContact O-CB 3.28Å; Q99-N103 WeakPolarHBondContact O-CB 3.33Å; Q99-N103 PolarHBondContact O-N 3.43Å; Q99-N103 PolarHBondContact O-ND2 2.76Å |
| 100 | D | 87.6 | Confident | 91.5 | Very high | 146 Ų | 146 | 56.9 Ų | 56.9 | 78% | 0.781 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70.4 | -39.3 | -175.6 | -64.6 | -33.5 | 0 | 0 | 0 | 111.9 | W98 | W98-D100 PolarHBondContact O-N 3.03Å |
| 101 | L | 88.4 | Confident | 91.5 | Very high | 25 Ų | 25 | 54.7 Ų | 54.7 | 13% | 0.131 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73.3 | -44 | -178.9 | -67.9 | 169.6 | 0 | 0 | 0 | 112.4 | L71 E72 F80 L83 W98 D104 | L71-L101 HydrophobicContact CB-CD1 4.13Å; E72-L101 HydrophobicContact CG-CD1 4.14Å; F80-L101 HydrophobicContact CD1-CD2 4.42Å; F80-L101 HydrophobicContact CE1-CB 4.48Å; F80-L101 HydrophobicContact CE1-CD2 3.79Å; F80-L101 HydrophobicContact CE2-CD2 4.31Å; F80-L101 HydrophobicContact CZ-CD2 3.73Å; L83-L101 HydrophobicContact CD1-CB 3.64Å; W98-L101 HydrophobicContact CB-CB 4.22Å; W98-L101 HydrophobicContact CB-CD1 4.39Å; W98-L101 PolarHBondContact O-N 3.28Å; L101-D104 WeakPolarHBondContact O-CB 3.03Å; L101-D104 PolarHBondContact O-N 2.92Å |
| 102 | A | 89.3 | Confident | 91.6 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -82.4 | -18.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L91 A94 W98 D104 W108 | L91-A102 HydrophobicContact CD1-CB 3.98Å; A94-A102 HydrophobicContact CB-CB 3.99Å; W98-A102 VanDerWaalsContact O-CB 3.24Å; W98-A102 WeakPolarHBondContact O-CB 3.34Å; W98-A102 PolarHBondContact O-N 2.96Å; A102-D104 VanDerWaalsContact C-N 3.34Å; A102-W108 PolarHBondContact O-NE1 3.3Å |
| 103 | N | 89.2 | Confident | 91.7 | Very high | 56 Ų | 56 | 57.2 Ų | 57.2 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 9.8 | 172.2 | -66.2 | -58.1 | 0 | 0 | 0 | 113.1 | Q99 E105 | Q99-N103 VanDerWaalsContact O-CB 3.28Å; Q99-N103 WeakPolarHBondContact O-CB 3.33Å; Q99-N103 PolarHBondContact O-N 3.43Å; Q99-N103 PolarHBondContact O-ND2 2.76Å; N103-E105 PolarHBondContact O-N 3.34Å |
| 104 | D | 92.9 | Very high | 91.7 | Very high | 45 Ų | 45 | 56.2 Ų | 56.2 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | trans | -59.5 | 133.6 | 178.6 | 177.6 | -94.5 | 0 | 0 | 0 | 112.7 | F80 L101 A102 L106 L107 W108 | F80-D104 HydrophobicContact CD1-CB 4.3Å; F80-D104 HydrophobicContact CE1-CB 3.57Å; F80-D104 HydrophobicContact CZ-CB 4.31Å; L101-D104 WeakPolarHBondContact O-CB 3.03Å; L101-D104 PolarHBondContact O-N 2.92Å; A102-D104 VanDerWaalsContact C-N 3.34Å; D104-L106 PolarHBondContact O-N 3.4Å; D104-L106 WeakPolarHBondContact OD1-CA 3.4Å; D104-L106 VanDerWaalsContact OD1-CB 3.28Å; D104-L106 WeakPolarHBondContact OD1-CB 3.33Å; D104-L106 PolarHBondContact OD1-N 3.41Å; D104-L107 HydrophobicContact CB-CB 4.28Å; D104-L107 PolarHBondContact O-N 3.38Å; D104-L107 PolarHBondContact OD1-N 3.18Å; D104-L107 VanDerWaalsContact OD1-N 3.08Å; D104-W108 VanDerWaalsContact O-CD1 3.28Å; D104-W108 PolarHBondContact O-N 3.15Å | ||
| 105 | E | 91.9 | Very high | 91.9 | Very high | 70 Ų | 70 | 57.3 Ų | 57.3 | 33% | 0.327 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.9 | -32.7 | -173.8 | -74.2 | -67.7 | 144 | 0 | 0 | 112.9 | N103 L107 Q109 S131 F132 | N103-E105 PolarHBondContact O-N 3.34Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-Q109 WeakPolarHBondContact O-CB 3.28Å; E105-Q109 PolarHBondContact O-N 3.19Å; E105-S131 WeakPolarHBondContact OE1-CA 3.14Å; E105-S131 WeakPolarHBondContact OE1-CB 3.48Å; E105-S131 PolarHBondContact OE1-OG 2.84Å; E105-S131 WeakPolarHBondContact OE2-CA 3.33Å; E105-F132 HydrophobicContact CB-CD2 4.47Å; E105-F132 WeakPolarHBondContact O-CD2 3.47Å; E105-F132 WeakPolarHBondContact OE2-CD2 3.39Å; E105-F132 PolarHBondContact OE2-N 3.09Å |
| 106 | L | 91.3 | Very high | 92.1 | Very high | 123 Ų | 123 | 56.6 Ų | 56.6 | 64% | 0.644 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -70.7 | -35.6 | 178 | -64.4 | 171.5 | 0 | 0 | 0 | 110.9 | D104 Q109 G110 | D104-L106 PolarHBondContact O-N 3.4Å; D104-L106 WeakPolarHBondContact OD1-CA 3.4Å; D104-L106 VanDerWaalsContact OD1-CB 3.28Å; D104-L106 WeakPolarHBondContact OD1-CB 3.33Å; D104-L106 PolarHBondContact OD1-N 3.41Å; L106-Q109 PolarHBondContact O-N 2.96Å; L106-G110 PolarHBondContact O-N 3.2Å |
| 107 | L | 93.4 | Very high | 92.3 | Very high | 16 Ų | 16 | 53.6 Ų | 53.6 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65 | -51 | 176.5 | -160.9 | 164 | 0 | 0 | 0 | 110.8 | L83 L91 D104 E105 Q109 G110 L111 | L83-L107 HydrophobicContact CB-CD1 3.39Å; L83-L107 HydrophobicContact CD1-CD1 4.38Å; L91-L107 HydrophobicContact CD1-CD1 3.89Å; L91-L107 HydrophobicContact CD1-CD2 3.59Å; L91-L107 HydrophobicContact CD1-CG 4.41Å; L91-L107 HydrophobicContact CD2-CD2 3.26Å; L91-L107 HydrophobicContact CG-CD2 4.04Å; D104-L107 HydrophobicContact CB-CB 4.28Å; D104-L107 PolarHBondContact O-N 3.38Å; D104-L107 PolarHBondContact OD1-N 3.18Å; D104-L107 VanDerWaalsContact OD1-N 3.08Å; E105-L107 VanDerWaalsContact C-N 3.33Å; L107-Q109 VanDerWaalsContact C-N 3.29Å; L107-Q109 PolarHBondContact O-N 3.26Å; L107-G110 PolarHBondContact O-N 2.92Å; L107-L111 PolarHBondContact O-N 2.97Å |
| 108 | W | 95.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.3 | -33.2 | 175.6 | -75.8 | 97.6 | 0 | 0 | 0 | 112.7 | A88 L91 A102 D104 L111 C112 F132 R133 Y136 | A88-W108 HydrophobicContact CB-CH2 4.31Å; A88-W108 HydrophobicContact CB-CZ3 4.1Å; L91-W108 HydrophobicContact CB-CZ2 4.39Å; L91-W108 HydrophobicContact CD2-CD2 3.77Å; L91-W108 HydrophobicContact CD2-CE3 4.23Å; L91-W108 HydrophobicContact CD2-CG 4.33Å; L91-W108 HydrophobicContact CD2-CH2 3.93Å; L91-W108 HydrophobicContact CD2-CZ2 3.43Å; L91-W108 VanDerWaalsContact CD2-CZ2 3.43Å; L91-W108 HydrophobicContact CD2-CZ3 4.3Å; L91-W108 HydrophobicContact CG-CZ2 3.9Å; A102-W108 PolarHBondContact O-NE1 3.3Å; D104-W108 VanDerWaalsContact O-CD1 3.28Å; D104-W108 PolarHBondContact O-N 3.15Å; W108-L111 HydrophobicContact CE3-CD2 4.05Å; W108-L111 HydrophobicContact CZ3-CD2 4Å; W108-L111 PolarHBondContact O-N 2.63Å; W108-C112 WeakPolarHBondContact O-CB 3.5Å; W108-C112 PolarHBondContact O-N 2.93Å; W108-C112 PolarHBondContact O-SG 3.29Å; W108-F132 HydrophobicContact CB-CB 3.58Å; W108-R133 HydrophobicContact CB-CB 4.44Å; W108-R133 HydrophobicContact CD2-CB 3.65Å; W108-R133 HydrophobicContact CD2-CG 3.83Å; W108-R133 HydrophobicContact CE3-CB 4.15Å; W108-R133 HydrophobicContact CE3-CG 4.14Å; W108-R133 HydrophobicContact CG-CB 3.77Å; W108-R133 HydrophobicContact CG-CG 4.43Å; W108-R133 HydrophobicContact CH2-CG 4.04Å; W108-R133 HydrophobicContact CZ2-CB 4.43Å; W108-R133 HydrophobicContact CZ2-CG 3.71Å; W108-R133 HydrophobicContact CZ3-CG 4.23Å; W108-Y136 HydrophobicContact CE3-CD2 4.27Å; W108-Y136 AromaticContact CE3-CG 3.95Å; W108-Y136 HydrophobicContact CE3-CG 3.95Å; W108-Y136 AromaticContact CZ3-CD1 3.92Å; W108-Y136 HydrophobicContact CZ3-CD1 3.92Å; W108-Y136 HydrophobicContact CZ3-CD2 4.24Å; W108-Y136 AromaticContact CZ3-CG 3.75Å; W108-Y136 HydrophobicContact CZ3-CG 3.75Å |
| 109 | Q | 94.1 | Very high | 92.6 | Very high | 52 Ų | 52 | 47.5 Ų | 47.5 | 24% | 0.243 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 172.2 | -178.2 | 179.4 | 52.2 | 0 | 0 | 111.5 | E105 L106 L107 L111 C112 K113 F132 | E105-Q109 WeakPolarHBondContact O-CB 3.28Å; E105-Q109 PolarHBondContact O-N 3.19Å; L106-Q109 PolarHBondContact O-N 2.96Å; L107-Q109 VanDerWaalsContact C-N 3.29Å; L107-Q109 PolarHBondContact O-N 3.26Å; Q109-L111 VanDerWaalsContact C-N 3.27Å; Q109-L111 PolarHBondContact O-N 2.9Å; Q109-C112 PolarHBondContact O-N 3.29Å; Q109-K113 HydrophobicContact CG-CD 4.16Å; Q109-K113 WeakPolarHBondContact O-CG 3.45Å; Q109-K113 PolarHBondContact O-N 3.15Å; Q109-F132 HydrophobicContact CB-CB 4.4Å; Q109-F132 HydrophobicContact CB-CD1 3.81Å; Q109-F132 HydrophobicContact CB-CD2 3.61Å; Q109-F132 HydrophobicContact CB-CE1 3.94Å; Q109-F132 HydrophobicContact CB-CE2 3.73Å; Q109-F132 HydrophobicContact CB-CG 3.67Å; Q109-F132 HydrophobicContact CB-CZ 3.92Å; Q109-F132 HydrophobicContact CG-CD1 4.02Å; Q109-F132 HydrophobicContact CG-CD2 4.22Å; Q109-F132 HydrophobicContact CG-CE1 3.64Å; Q109-F132 HydrophobicContact CG-CE2 3.83Å; Q109-F132 HydrophobicContact CG-CG 4.31Å; Q109-F132 HydrophobicContact CG-CZ 3.55Å; Q109-F132 VanDerWaalsContact NE2-CZ 3.26Å |
| 110 | G | 93.4 | Very high | 93 | Very high | 38 Ų | 38 | 41.5 Ų | 41.5 | 39% | 0.392 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.5 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L106 L107 K113 S114 | L106-G110 PolarHBondContact O-N 3.2Å; L107-G110 PolarHBondContact O-N 2.92Å; G110-K113 PolarHBondContact O-N 3.39Å; G110-S114 WeakPolarHBondContact O-CB 3.49Å; G110-S114 PolarHBondContact O-N 3.31Å; G110-S114 PolarHBondContact O-OG 2.93Å |
| 111 | L | 94.1 | Very high | 93.3 | Very high | 20 Ų | 20 | 35.5 Ų | 35.5 | 11% | 0.105 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.9 | -41.2 | 178.6 | -170.3 | 63.8 | 0 | 0 | 0 | 112.8 | A88 L91 L107 W108 Q109 S114 T115 Y136 | A88-L111 HydrophobicContact CB-CD2 3.8Å; L91-L111 HydrophobicContact CD2-CD2 4.23Å; L107-L111 PolarHBondContact O-N 2.97Å; W108-L111 HydrophobicContact CE3-CD2 4.05Å; W108-L111 HydrophobicContact CZ3-CD2 4Å; W108-L111 PolarHBondContact O-N 2.63Å; Q109-L111 VanDerWaalsContact C-N 3.27Å; Q109-L111 PolarHBondContact O-N 2.9Å; L111-S114 WeakPolarHBondContact CA-OG 3.28Å; L111-S114 PolarHBondContact O-OG 3.21Å; L111-T115 VanDerWaalsContact O-CB 3.29Å; L111-T115 WeakPolarHBondContact O-CB 3.44Å; L111-T115 PolarHBondContact O-N 3.02Å; L111-T115 VanDerWaalsContact O-N 3.11Å; L111-T115 PolarHBondContact O-OG1 3.21Å; L111-Y136 HydrophobicContact CD2-CD2 3.94Å; L111-Y136 HydrophobicContact CD2-CE2 3.7Å; L111-Y136 HydrophobicContact CG-CD2 3.98Å; L111-Y136 HydrophobicContact CG-CE2 3.64Å |
| 112 | C | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.7 | -51.2 | 174.1 | -71.8 | 0 | 0 | 0 | 0 | 111.2 | W108 Q109 S114 T115 W116 Y122 L139 | W108-C112 WeakPolarHBondContact O-CB 3.5Å; W108-C112 PolarHBondContact O-N 2.93Å; W108-C112 PolarHBondContact O-SG 3.29Å; Q109-C112 PolarHBondContact O-N 3.29Å; C112-S114 VanDerWaalsContact C-N 3.34Å; C112-S114 PolarHBondContact O-N 3.23Å; C112-T115 PolarHBondContact O-N 3.23Å; C112-W116 PolarHBondContact O-N 3.17Å; C112-Y122 HydrophobicContact CB-CE1 4.31Å; C112-Y122 WeakPolarHBondContact CB-OH 3.29Å; C112-Y122 PolarHBondContact O-OH 2.74Å; C112-L139 HydrophobicContact CB-CD1 4.41Å |
| 113 | K | 94.4 | Very high | 93.6 | Very high | 93 Ų | 93 | 42.2 Ų | 42.2 | 40% | 0.404 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.4 | -33 | -178.1 | -71.7 | -178.9 | 178.1 | 176.9 | 0 | 112.4 | Q109 G110 T115 G117 Y122 | Q109-K113 HydrophobicContact CG-CD 4.16Å; Q109-K113 WeakPolarHBondContact O-CG 3.45Å; Q109-K113 PolarHBondContact O-N 3.15Å; G110-K113 PolarHBondContact O-N 3.39Å; K113-T115 VanDerWaalsContact C-N 3.34Å; K113-G117 WeakPolarHBondContact O-CA 3.48Å; K113-G117 PolarHBondContact O-N 3.35Å; K113-Y122 HydrophobicContact CG-CD2 4.17Å; K113-Y122 HydrophobicContact CG-CE2 3.94Å |
| 114 | S | 94 | Very high | 93.6 | Very high | 88 Ų | 88 | 43.5 Ų | 43.5 | 62% | 0.615 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -71.8 | -30.6 | 175.8 | 67.9 | 0 | 0 | 0 | 0 | 112.6 | G110 L111 C112 | G110-S114 WeakPolarHBondContact O-CB 3.49Å; G110-S114 PolarHBondContact O-N 3.31Å; G110-S114 PolarHBondContact O-OG 2.93Å; L111-S114 WeakPolarHBondContact CA-OG 3.28Å; L111-S114 PolarHBondContact O-OG 3.21Å; C112-S114 VanDerWaalsContact C-N 3.34Å; C112-S114 PolarHBondContact O-N 3.23Å |
| 115 | T | 94.7 | Very high | 93.2 | Very high | 32 Ų | 32 | 48.9 Ų | 48.9 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -86.3 | -45.7 | -175 | -54.9 | 0 | 0 | 0 | 0 | 112.7 | L111 C112 K113 T179 | L111-T115 VanDerWaalsContact O-CB 3.29Å; L111-T115 WeakPolarHBondContact O-CB 3.44Å; L111-T115 PolarHBondContact O-N 3.02Å; L111-T115 VanDerWaalsContact O-N 3.11Å; L111-T115 PolarHBondContact O-OG1 3.21Å; C112-T115 PolarHBondContact O-N 3.23Å; K113-T115 VanDerWaalsContact C-N 3.34Å; T115-T179 HydrophobicContact CG2-CG2 3.6Å |
| 116 | W | 95.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -105.8 | -19.8 | -178.4 | -69.6 | -88.7 | 0 | 0 | 0 | 114 | C112 H118 Y136 L139 D140 S143 F173 C176 T177 T179 | C112-W116 PolarHBondContact O-N 3.17Å; W116-H118 PolarHBondContact O-N 3.24Å; W116-Y136 HydrophobicContact CH2-CD1 4.49Å; W116-Y136 AromaticContact CH2-CD2 3.97Å; W116-Y136 HydrophobicContact CH2-CD2 3.97Å; W116-Y136 HydrophobicContact CH2-CE1 4.21Å; W116-Y136 AromaticContact CH2-CE2 3.66Å; W116-Y136 HydrophobicContact CH2-CE2 3.66Å; W116-Y136 HydrophobicContact CH2-CG 4.35Å; W116-Y136 AromaticContact CH2-CZ 3.78Å; W116-Y136 AromaticContact CZ3-CD2 3.53Å; W116-Y136 HydrophobicContact CZ3-CD2 3.53Å; W116-Y136 AromaticContact CZ3-CE2 3.42Å; W116-Y136 HydrophobicContact CZ3-CE2 3.42Å; W116-Y136 VanDerWaalsContact CZ3-CE2 3.42Å; W116-Y136 HydrophobicContact CZ3-CG 4.22Å; W116-L139 HydrophobicContact CD2-CB 3.81Å; W116-L139 HydrophobicContact CD2-CD1 3.94Å; W116-L139 HydrophobicContact CD2-CD2 4.22Å; W116-L139 HydrophobicContact CD2-CG 4.23Å; W116-L139 HydrophobicContact CE3-CB 3.92Å; W116-L139 HydrophobicContact CE3-CD1 3.66Å; W116-L139 HydrophobicContact CE3-CG 4.32Å; W116-L139 HydrophobicContact CG-CD1 4.4Å; W116-L139 HydrophobicContact CG-CD2 4.16Å; W116-L139 HydrophobicContact CH2-CB 3.7Å; W116-L139 VanDerWaalsContact CZ2-C 3.45Å; W116-L139 HydrophobicContact CZ2-CB 3.56Å; W116-L139 HydrophobicContact CZ3-CB 3.87Å; W116-L139 HydrophobicContact CZ3-CD1 4.1Å; W116-D140 HydrophobicContact CH2-CB 4.32Å; W116-D140 HydrophobicContact CZ2-CB 4.35Å; W116-S143 PolarHBondContact NE1-OG 2.97Å; W116-F173 HydrophobicContact CB-CE2 4.23Å; W116-F173 AromaticContact CD1-CE2 3.53Å; W116-F173 AromaticContact CD1-CZ 3.64Å; W116-F173 HydrophobicContact CG-CE2 4.16Å; W116-C176 CarbonylContact O-C 3.59Å; W116-C176 WeakPolarHBondContact O-CB 3.1Å; W116-T177 PolarHBondContact O-N 2.69Å; W116-T179 HydrophobicContact CZ2-CG2 4.19Å; W116-T179 PolarHBondContact NE1-OG1 3.29Å |
| 117 | G | 94.9 | Very high | 92.2 | Very high | 37 Ų | 37 | 47.5 Ų | 47.5 | 38% | 0.381 | 28% | 0.275 | S | S | . | . | trans | 71.6 | -59 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K113 | K113-G117 WeakPolarHBondContact O-CA 3.48Å; K113-G117 PolarHBondContact O-N 3.35Å | ||
| 118 | H | 95.1 | Very high | 91.7 | Very high | 26 Ų | 26 | 55.7 Ų | 55.7 | 12% | 0.12 | 32% | 0.318 | C | S | . | . | trans | -126.1 | 132.8 | -179.4 | 179.7 | 79.9 | 0 | 0 | 0 | 110.9 | W116 E169 K172 F173 C176 | W116-H118 PolarHBondContact O-N 3.24Å; H118-E169 IonicContact CE1-OE2 3.82Å; H118-E169 PolarHBondContact CE1-OE2 3.05Å; H118-E169 VanDerWaalsContact CE1-OE2 3.32Å; H118-E169 IonicContact NE2-OE1 3.65Å; H118-E169 IonicContact NE2-OE2 3.15Å; H118-E169 PolarHBondContact NE2-OE2 2.56Å; H118-K172 HydrophobicContact CB-CB 4.27Å; H118-K172 WeakPolarHBondContact CD2-CB 3.41Å; H118-F173 WeakPolarHBondContact O-CD2 3.36Å; H118-C176 HydrophobicContact CB-CB 4.14Å | ||
| 119 | C | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | trans | -145.5 | 142.7 | 165.5 | -66.7 | 0 | 0 | 0 | 0 | 107.8 | I121 Y122 L139 I162 | C119-I121 HydrophobicContact CB-CG2 3.92Å; C119-I121 PolarHBondContact O-N 3.11Å; C119-Y122 HydrophobicContact CB-CD1 4.11Å; C119-Y122 HydrophobicContact CB-CD2 3.88Å; C119-Y122 HydrophobicContact CB-CE1 3.96Å; C119-Y122 HydrophobicContact CB-CE2 3.71Å; C119-Y122 HydrophobicContact CB-CG 4.05Å; C119-Y122 VanDerWaalsContact N-CD2 3.33Å; C119-Y122 WeakPolarHBondContact O-CB 3.46Å; C119-Y122 PolarHBondContact O-N 2.97Å; C119-L139 VanDerWaalsContact SG-CD2 3.59Å; C119-I162 HydrophobicContact CB-CG2 4.21Å | ||
| 120 | S | 94.5 | Very high | 91 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.014 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -60.8 | -33.6 | -179 | -51.6 | 0 | 0 | 0 | 0 | 112.1 | Y122 N123 I162 D164 E169 | S120-Y122 PolarHBondContact O-N 3Å; S120-N123 PolarHBondContact O-N 3.41Å; S120-I162 PolarHBondContact N-O 3.44Å; S120-I162 VanDerWaalsContact N-O 3.1Å; S120-D164 WeakPolarHBondContact CB-OD2 3.21Å; S120-D164 PolarHBondContact OG-N 3.44Å; S120-D164 VanDerWaalsContact OG-N 3.15Å; S120-E169 WeakPolarHBondContact OG-CB 3.04Å; S120-E169 PolarHBondContact OG-OE2 3.45Å |
| 121 | I | 93.6 | Very high | 91 | Very high | 20 Ų | 20 | 58.8 Ų | 58.8 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -60 | -25.4 | 175.6 | -163.3 | 165.2 | 0 | 0 | 0 | 114 | C119 N123 K124 F130 L135 I162 | C119-I121 HydrophobicContact CB-CG2 3.92Å; C119-I121 PolarHBondContact O-N 3.11Å; I121-N123 PolarHBondContact O-N 3.28Å; I121-K124 PolarHBondContact O-N 3.22Å; I121-F130 HydrophobicContact CD1-CD2 4.29Å; I121-F130 HydrophobicContact CD1-CE2 3.73Å; I121-F130 HydrophobicContact CG1-CE2 4.22Å; I121-L135 HydrophobicContact CD1-CD1 4.35Å; I121-L135 HydrophobicContact CG2-CD1 4.17Å; I121-L135 HydrophobicContact CG2-CD2 3.77Å; I121-I162 HydrophobicContact CG2-CG2 4.41Å; I121-I162 PolarHBondContact N-O 3.4Å |
| 122 | Y | 93 | Very high | 91 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 15% | 0.153 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -66.1 | -21.9 | 178.7 | -61.5 | -21.5 | 0 | 0 | 0 | 113.3 | C112 K113 C119 S120 F132 L135 | C112-Y122 HydrophobicContact CB-CE1 4.31Å; C112-Y122 WeakPolarHBondContact CB-OH 3.29Å; C112-Y122 PolarHBondContact O-OH 2.74Å; K113-Y122 HydrophobicContact CG-CD2 4.17Å; K113-Y122 HydrophobicContact CG-CE2 3.94Å; C119-Y122 HydrophobicContact CB-CD1 4.11Å; C119-Y122 HydrophobicContact CB-CD2 3.88Å; C119-Y122 HydrophobicContact CB-CE1 3.96Å; C119-Y122 HydrophobicContact CB-CE2 3.71Å; C119-Y122 HydrophobicContact CB-CG 4.05Å; C119-Y122 VanDerWaalsContact N-CD2 3.33Å; C119-Y122 WeakPolarHBondContact O-CB 3.46Å; C119-Y122 PolarHBondContact O-N 2.97Å; S120-Y122 PolarHBondContact O-N 3Å; Y122-F132 HydrophobicContact CD1-CE1 4.48Å; Y122-L135 HydrophobicContact CD1-CD2 4.29Å; Y122-L135 HydrophobicContact CE1-CD2 3.76Å |
| 123 | N | 90.8 | Very high | 90.9 | Very high | 128 Ų | 128 | 63.1 Ų | 63.1 | 68% | 0.684 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -102.6 | 4.4 | -179 | -59.5 | -45.2 | 0 | 0 | 0 | 112.6 | S120 I121 | S120-N123 PolarHBondContact O-N 3.41Å; I121-N123 PolarHBondContact O-N 3.28Å |
| 124 | K | 89.4 | Confident | 90.9 | Very high | 83 Ų | 83 | 64.5 Ų | 64.5 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -104.2 | 159.2 | -178.6 | -66.6 | 179.1 | -174.2 | 176 | 0 | 110.6 | I121 P126 D164 | I121-K124 PolarHBondContact O-N 3.22Å; K124-P126 WeakPolarHBondContact O-CD 3.4Å; K124-D164 WeakPolarHBondContact CE-OD1 3.33Å; K124-D164 VanDerWaalsContact CE-OD2 3.27Å; K124-D164 WeakPolarHBondContact CE-OD2 3.41Å; K124-D164 VanDerWaalsContact NZ-CG 3.33Å; K124-D164 IonicContact NZ-OD1 2.62Å; K124-D164 PolarHBondContact NZ-OD1 3.04Å; K124-D164 IonicContact NZ-OD2 2.71Å; K124-D164 PolarHBondContact NZ-OD2 3.4Å |
| 125 | N | 84.5 | Confident | 91 | Very high | 157 Ų | 157 | 60.4 Ų | 60.4 | 84% | 0.84 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 124.3 | 166.8 | -70.8 | -28.8 | 0 | 0 | 0 | 108.6 | ||
| 126 | P | 80.7 | Confident | 91.1 | Very high | 83 Ų | 83 | 60.5 Ų | 60.5 | 54% | 0.539 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 136.9 | -178.7 | 21.2 | -29.2 | 0 | 0 | 0 | 110.2 | K124 F130 | K124-P126 WeakPolarHBondContact O-CD 3.4Å; P126-F130 HydrophobicContact CB-CB 3.63Å; P126-F130 HydrophobicContact CB-CD1 3.55Å; P126-F130 HydrophobicContact CB-CD2 4.24Å; P126-F130 HydrophobicContact CB-CE1 4.25Å; P126-F130 HydrophobicContact CB-CG 3.53Å |
| 127 | P | 81.3 | Confident | 91 | Very high | 81 Ų | 81 | 64.7 Ų | 64.7 | 53% | 0.526 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 162.7 | 175.8 | 26.4 | -33.5 | 0 | 0 | 0 | 111.3 | G129 F130 | P127-G129 PolarHBondContact O-N 2.8Å; P127-F130 HydrophobicContact CG-CB 4.13Å; P127-F130 HydrophobicContact CG-CD2 4.21Å; P127-F130 WeakPolarHBondContact O-CB 3.47Å; P127-F130 PolarHBondContact O-N 3.47Å |
| 128 | L | 82.6 | Confident | 91.1 | Very high | 188 Ų | 188 | 64.9 Ų | 64.9 | 98% | 0.984 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 128.8 | 175.1 | -69.4 | 166.3 | 0 | 0 | 0 | 110.4 | F130 | L128-F130 VanDerWaalsContact C-N 3.32Š|
| 129 | G | 84.6 | Confident | 91.2 | Very high | 75 Ų | 75 | 63.6 Ų | 63.6 | 77% | 0.773 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 18.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | P127 | P127-G129 PolarHBondContact O-N 2.8Š|
| 130 | F | 90.1 | Very high | 91.3 | Very high | 51 Ų | 51 | 67 Ų | 67 | 22% | 0.224 | 36% | 0.358 | C | S | . | . | trans | -63.9 | 138.3 | 169.7 | 179.4 | -92.9 | 0 | 0 | 0 | 111.2 | I121 P126 P127 L128 F132 L135 | I121-F130 HydrophobicContact CD1-CD2 4.29Å; I121-F130 HydrophobicContact CD1-CE2 3.73Å; I121-F130 HydrophobicContact CG1-CE2 4.22Å; P126-F130 HydrophobicContact CB-CB 3.63Å; P126-F130 HydrophobicContact CB-CD1 3.55Å; P126-F130 HydrophobicContact CB-CD2 4.24Å; P126-F130 HydrophobicContact CB-CE1 4.25Å; P126-F130 HydrophobicContact CB-CG 3.53Å; P127-F130 HydrophobicContact CG-CB 4.13Å; P127-F130 HydrophobicContact CG-CD2 4.21Å; P127-F130 WeakPolarHBondContact O-CB 3.47Å; P127-F130 PolarHBondContact O-N 3.47Å; L128-F130 VanDerWaalsContact C-N 3.32Å; F130-F132 AromaticContact CE1-CD1 3.97Å; F130-F132 HydrophobicContact CE1-CD1 3.97Å; F130-F132 AromaticContact CE1-CD2 3.8Å; F130-F132 HydrophobicContact CE1-CD2 3.8Å; F130-F132 AromaticContact CE1-CE1 3.83Å; F130-F132 HydrophobicContact CE1-CE1 3.83Å; F130-F132 AromaticContact CE1-CE2 3.67Å; F130-F132 HydrophobicContact CE1-CE2 3.67Å; F130-F132 AromaticContact CE1-CG 3.95Å; F130-F132 HydrophobicContact CE1-CG 3.95Å; F130-F132 AromaticContact CE1-CZ 3.65Å; F130-F132 HydrophobicContact CE1-CZ 3.65Å; F130-F132 AromaticContact CZ-CD1 3.94Å; F130-F132 HydrophobicContact CZ-CD1 3.94Å; F130-F132 AromaticContact CZ-CE1 3.79Å; F130-F132 HydrophobicContact CZ-CE1 3.79Å; F130-F132 HydrophobicContact CZ-CE2 4.46Å; F130-F132 HydrophobicContact CZ-CG 4.32Å; F130-F132 HydrophobicContact CZ-CZ 4.05Å; F130-L135 HydrophobicContact CE2-CB 4.1Å; F130-L135 HydrophobicContact CE2-CD2 3.85Å; F130-L135 HydrophobicContact CE2-CG 4.43Å; F130-L135 HydrophobicContact CZ-CB 4.16Å; F130-L135 HydrophobicContact CZ-CD2 3.62Å; F130-L135 HydrophobicContact CZ-CG 4.48Å | ||
| 131 | S | 93.5 | Very high | 91.4 | Very high | 30 Ų | 30 | 71.6 Ų | 71.6 | 21% | 0.21 | 38% | 0.38 | C | S | . | . | trans | -142.1 | 135.3 | 171.5 | 167.9 | 0 | 0 | 0 | 0 | 108.5 | E105 R133 K134 L135 | E105-S131 WeakPolarHBondContact OE1-CA 3.14Å; E105-S131 WeakPolarHBondContact OE1-CB 3.48Å; E105-S131 PolarHBondContact OE1-OG 2.84Å; E105-S131 WeakPolarHBondContact OE2-CA 3.33Å; S131-R133 PolarHBondContact O-N 3.39Å; S131-R133 PolarHBondContact OG-N 3.38Å; S131-K134 PolarHBondContact O-N 2.82Å; S131-K134 VanDerWaalsContact O-N 3.15Å; S131-L135 PolarHBondContact O-N 3.18Å | ||
| 132 | F | 94.4 | Very high | 91.6 | Very high | 29 Ų | 29 | 70.7 Ų | 70.7 | 13% | 0.127 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.5 | -29.5 | 176.4 | -79.2 | -74.3 | 0 | 0 | 0 | 112.2 | E105 W108 Q109 Y122 F130 L135 Y136 | E105-F132 HydrophobicContact CB-CD2 4.47Å; E105-F132 WeakPolarHBondContact O-CD2 3.47Å; E105-F132 WeakPolarHBondContact OE2-CD2 3.39Å; E105-F132 PolarHBondContact OE2-N 3.09Å; W108-F132 HydrophobicContact CB-CB 3.58Å; Q109-F132 HydrophobicContact CB-CB 4.4Å; Q109-F132 HydrophobicContact CB-CD1 3.81Å; Q109-F132 HydrophobicContact CB-CD2 3.61Å; Q109-F132 HydrophobicContact CB-CE1 3.94Å; Q109-F132 HydrophobicContact CB-CE2 3.73Å; Q109-F132 HydrophobicContact CB-CG 3.67Å; Q109-F132 HydrophobicContact CB-CZ 3.92Å; Q109-F132 HydrophobicContact CG-CD1 4.02Å; Q109-F132 HydrophobicContact CG-CD2 4.22Å; Q109-F132 HydrophobicContact CG-CE1 3.64Å; Q109-F132 HydrophobicContact CG-CE2 3.83Å; Q109-F132 HydrophobicContact CG-CG 4.31Å; Q109-F132 HydrophobicContact CG-CZ 3.55Å; Q109-F132 VanDerWaalsContact NE2-CZ 3.26Å; Y122-F132 HydrophobicContact CD1-CE1 4.48Å; F130-F132 AromaticContact CE1-CD1 3.97Å; F130-F132 HydrophobicContact CE1-CD1 3.97Å; F130-F132 AromaticContact CE1-CD2 3.8Å; F130-F132 HydrophobicContact CE1-CD2 3.8Å; F130-F132 AromaticContact CE1-CE1 3.83Å; F130-F132 HydrophobicContact CE1-CE1 3.83Å; F130-F132 AromaticContact CE1-CE2 3.67Å; F130-F132 HydrophobicContact CE1-CE2 3.67Å; F130-F132 AromaticContact CE1-CG 3.95Å; F130-F132 HydrophobicContact CE1-CG 3.95Å; F130-F132 AromaticContact CE1-CZ 3.65Å; F130-F132 HydrophobicContact CE1-CZ 3.65Å; F130-F132 AromaticContact CZ-CD1 3.94Å; F130-F132 HydrophobicContact CZ-CD1 3.94Å; F130-F132 AromaticContact CZ-CE1 3.79Å; F130-F132 HydrophobicContact CZ-CE1 3.79Å; F130-F132 HydrophobicContact CZ-CE2 4.46Å; F130-F132 HydrophobicContact CZ-CG 4.32Å; F130-F132 HydrophobicContact CZ-CZ 4.05Å; F132-L135 HydrophobicContact CD1-CD2 4.18Å; F132-L135 HydrophobicContact CE1-CD2 4.35Å; F132-L135 PolarHBondContact O-N 2.77Å; F132-Y136 WeakPolarHBondContact O-CB 3.37Å; F132-Y136 PolarHBondContact O-N 2.77Å |
| 133 | R | 93.8 | Very high | 91.8 | Very high | 82 Ų | 82 | 69 Ų | 69 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 172.8 | -177.4 | 171.4 | -178.8 | -94 | -0.4 | 111.6 | W108 S131 Y136 M137 | W108-R133 HydrophobicContact CB-CB 4.44Å; W108-R133 HydrophobicContact CD2-CB 3.65Å; W108-R133 HydrophobicContact CD2-CG 3.83Å; W108-R133 HydrophobicContact CE3-CB 4.15Å; W108-R133 HydrophobicContact CE3-CG 4.14Å; W108-R133 HydrophobicContact CG-CB 3.77Å; W108-R133 HydrophobicContact CG-CG 4.43Å; W108-R133 HydrophobicContact CH2-CG 4.04Å; W108-R133 HydrophobicContact CZ2-CB 4.43Å; W108-R133 HydrophobicContact CZ2-CG 3.71Å; W108-R133 HydrophobicContact CZ3-CG 4.23Å; S131-R133 PolarHBondContact O-N 3.39Å; S131-R133 PolarHBondContact OG-N 3.38Å; R133-Y136 WeakPolarHBondContact O-CB 3.17Å; R133-Y136 PolarHBondContact O-N 3.32Å; R133-M137 HydrophobicContact CG-CE 4.18Å; R133-M137 VanDerWaalsContact CZ-CE 3.48Å; R133-M137 WeakPolarHBondContact O-CG 3.48Å; R133-M137 PolarHBondContact O-N 3.15Å |
| 134 | K | 94.1 | Very high | 92.1 | Very high | 123 Ų | 123 | 68 Ų | 68 | 54% | 0.535 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 175.6 | -175.7 | 178.1 | 178.7 | -179.9 | 0 | 111.2 | S131 Y136 M137 Q138 | S131-K134 PolarHBondContact O-N 2.82Å; S131-K134 VanDerWaalsContact O-N 3.15Å; K134-Y136 VanDerWaalsContact C-N 3.32Å; K134-Y136 PolarHBondContact O-N 2.9Å; K134-M137 PolarHBondContact O-N 2.62Å; K134-Q138 WeakPolarHBondContact O-CG 3.48Å; K134-Q138 PolarHBondContact O-N 3Å; K134-Q138 VanDerWaalsContact O-N 3.09Å |
| 135 | L | 95.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 175.8 | 177.9 | 59.5 | 0 | 0 | 0 | 111.4 | I121 Y122 F130 S131 F132 M137 Q138 L139 I162 | I121-L135 HydrophobicContact CD1-CD1 4.35Å; I121-L135 HydrophobicContact CG2-CD1 4.17Å; I121-L135 HydrophobicContact CG2-CD2 3.77Å; Y122-L135 HydrophobicContact CD1-CD2 4.29Å; Y122-L135 HydrophobicContact CE1-CD2 3.76Å; F130-L135 HydrophobicContact CE2-CB 4.1Å; F130-L135 HydrophobicContact CE2-CD2 3.85Å; F130-L135 HydrophobicContact CE2-CG 4.43Å; F130-L135 HydrophobicContact CZ-CB 4.16Å; F130-L135 HydrophobicContact CZ-CD2 3.62Å; F130-L135 HydrophobicContact CZ-CG 4.48Å; S131-L135 PolarHBondContact O-N 3.18Å; F132-L135 HydrophobicContact CD1-CD2 4.18Å; F132-L135 HydrophobicContact CE1-CD2 4.35Å; F132-L135 PolarHBondContact O-N 2.77Å; L135-M137 VanDerWaalsContact C-N 3.32Å; L135-M137 PolarHBondContact O-N 3.19Å; L135-Q138 PolarHBondContact O-N 3.19Å; L135-L139 HydrophobicContact CD1-CD1 4.1Å; L135-L139 HydrophobicContact CD1-CG 4.04Å; L135-L139 HydrophobicContact CD2-CD1 4.34Å; L135-L139 HydrophobicContact CG-CD1 3.79Å; L135-L139 HydrophobicContact CG-CG 4.23Å; L135-L139 WeakPolarHBondContact O-CB 3.37Å; L135-L139 WeakPolarHBondContact O-CG 3.48Å; L135-L139 PolarHBondContact O-N 2.73Å; L135-I162 HydrophobicContact CD1-CD1 3.93Å; L135-I162 HydrophobicContact CD1-CG1 3.77Å |
| 136 | Y | 95.9 | Very high | 93.2 | Very high | 35 Ų | 35 | 58.3 Ų | 58.3 | 14% | 0.137 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55.6 | -48.7 | 175.8 | -174.5 | -78.7 | 0 | 0 | 0 | 110.9 | A88 W108 L111 W116 F132 R133 K134 Q138 L139 D140 | A88-Y136 HydrophobicContact CB-CD1 4.07Å; A88-Y136 HydrophobicContact CB-CE1 3.32Å; A88-Y136 HydrophobicContact CB-CE2 4.05Å; A88-Y136 WeakPolarHBondContact CB-OH 3.34Å; W108-Y136 HydrophobicContact CE3-CD2 4.27Å; W108-Y136 AromaticContact CE3-CG 3.95Å; W108-Y136 HydrophobicContact CE3-CG 3.95Å; W108-Y136 AromaticContact CZ3-CD1 3.92Å; W108-Y136 HydrophobicContact CZ3-CD1 3.92Å; W108-Y136 HydrophobicContact CZ3-CD2 4.24Å; W108-Y136 AromaticContact CZ3-CG 3.75Å; W108-Y136 HydrophobicContact CZ3-CG 3.75Å; L111-Y136 HydrophobicContact CD2-CD2 3.94Å; L111-Y136 HydrophobicContact CD2-CE2 3.7Å; L111-Y136 HydrophobicContact CG-CD2 3.98Å; L111-Y136 HydrophobicContact CG-CE2 3.64Å; W116-Y136 HydrophobicContact CH2-CD1 4.49Å; W116-Y136 AromaticContact CH2-CD2 3.97Å; W116-Y136 HydrophobicContact CH2-CD2 3.97Å; W116-Y136 HydrophobicContact CH2-CE1 4.21Å; W116-Y136 AromaticContact CH2-CE2 3.66Å; W116-Y136 HydrophobicContact CH2-CE2 3.66Å; W116-Y136 HydrophobicContact CH2-CG 4.35Å; W116-Y136 AromaticContact CH2-CZ 3.78Å; W116-Y136 AromaticContact CZ3-CD2 3.53Å; W116-Y136 HydrophobicContact CZ3-CD2 3.53Å; W116-Y136 AromaticContact CZ3-CE2 3.42Å; W116-Y136 HydrophobicContact CZ3-CE2 3.42Å; W116-Y136 VanDerWaalsContact CZ3-CE2 3.42Å; W116-Y136 HydrophobicContact CZ3-CG 4.22Å; F132-Y136 WeakPolarHBondContact O-CB 3.37Å; F132-Y136 PolarHBondContact O-N 2.77Å; R133-Y136 WeakPolarHBondContact O-CB 3.17Å; R133-Y136 PolarHBondContact O-N 3.32Å; K134-Y136 VanDerWaalsContact C-N 3.32Å; K134-Y136 PolarHBondContact O-N 2.9Å; Y136-Q138 VanDerWaalsContact C-N 3.32Å; Y136-Q138 PolarHBondContact O-N 3.33Å; Y136-L139 PolarHBondContact O-N 3.2Å; Y136-D140 HydrophobicContact CE1-CB 4.31Å; Y136-D140 WeakPolarHBondContact O-CB 3.33Å; Y136-D140 PolarHBondContact O-N 3.4Å |
| 137 | M | 95.2 | Very high | 93.9 | Very high | 88 Ų | 88 | 56.6 Ų | 56.6 | 43% | 0.433 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 178.4 | -66 | 174.9 | -179.8 | 0 | 0 | 112.1 | R133 K134 L135 D140 E141 | R133-M137 HydrophobicContact CG-CE 4.18Å; R133-M137 VanDerWaalsContact CZ-CE 3.48Å; R133-M137 WeakPolarHBondContact O-CG 3.48Å; R133-M137 PolarHBondContact O-N 3.15Å; K134-M137 PolarHBondContact O-N 2.62Å; L135-M137 VanDerWaalsContact C-N 3.32Å; L135-M137 PolarHBondContact O-N 3.19Å; M137-D140 PolarHBondContact O-N 3.33Å; M137-E141 WeakPolarHBondContact O-CB 3.27Å; M137-E141 PolarHBondContact O-N 3.44Å |
| 138 | Q | 96.3 | Very high | 94.7 | Very high | 41 Ų | 41 | 56 Ų | 56 | 19% | 0.192 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.3 | -36.4 | 177.2 | -65.5 | 175.3 | -45.8 | 0 | 0 | 112.1 | K134 L135 Y136 G142 Y156 I162 | K134-Q138 WeakPolarHBondContact O-CG 3.48Å; K134-Q138 PolarHBondContact O-N 3Å; K134-Q138 VanDerWaalsContact O-N 3.09Å; L135-Q138 PolarHBondContact O-N 3.19Å; Y136-Q138 VanDerWaalsContact C-N 3.32Å; Y136-Q138 PolarHBondContact O-N 3.33Å; Q138-G142 PolarHBondContact O-N 3.09Å; Q138-Y156 VanDerWaalsContact O-CE1 3.28Å; Q138-Y156 WeakPolarHBondContact O-CE1 3.3Å; Q138-I162 HydrophobicContact CB-CD1 3.8Å |
| 139 | L | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 176.2 | -80.7 | 169.4 | 0 | 0 | 0 | 112 | C112 W116 C119 L135 Y136 S143 F157 I162 F173 | C112-L139 HydrophobicContact CB-CD1 4.41Å; W116-L139 HydrophobicContact CD2-CB 3.81Å; W116-L139 HydrophobicContact CD2-CD1 3.94Å; W116-L139 HydrophobicContact CD2-CD2 4.22Å; W116-L139 HydrophobicContact CD2-CG 4.23Å; W116-L139 HydrophobicContact CE3-CB 3.92Å; W116-L139 HydrophobicContact CE3-CD1 3.66Å; W116-L139 HydrophobicContact CE3-CG 4.32Å; W116-L139 HydrophobicContact CG-CD1 4.4Å; W116-L139 HydrophobicContact CG-CD2 4.16Å; W116-L139 HydrophobicContact CH2-CB 3.7Å; W116-L139 VanDerWaalsContact CZ2-C 3.45Å; W116-L139 HydrophobicContact CZ2-CB 3.56Å; W116-L139 HydrophobicContact CZ3-CB 3.87Å; W116-L139 HydrophobicContact CZ3-CD1 4.1Å; C119-L139 VanDerWaalsContact SG-CD2 3.59Å; L135-L139 HydrophobicContact CD1-CD1 4.1Å; L135-L139 HydrophobicContact CD1-CG 4.04Å; L135-L139 HydrophobicContact CD2-CD1 4.34Å; L135-L139 HydrophobicContact CG-CD1 3.79Å; L135-L139 HydrophobicContact CG-CG 4.23Å; L135-L139 WeakPolarHBondContact O-CB 3.37Å; L135-L139 WeakPolarHBondContact O-CG 3.48Å; L135-L139 PolarHBondContact O-N 2.73Å; Y136-L139 PolarHBondContact O-N 3.2Å; L139-S143 WeakPolarHBondContact O-CB 3.36Å; L139-S143 PolarHBondContact O-N 3.38Å; L139-S143 PolarHBondContact O-OG 3.35Å; L139-F157 HydrophobicContact CD2-CD1 4.49Å; L139-F157 HydrophobicContact CD2-CE1 4.14Å; L139-I162 HydrophobicContact CD2-CD1 4.42Å; L139-I162 HydrophobicContact CD2-CG2 3.52Å; L139-I162 HydrophobicContact CG-CD1 4.46Å; L139-I162 HydrophobicContact CG-CG2 4.36Å; L139-F173 HydrophobicContact CD2-CE2 4.21Å |
| 140 | D | 96.5 | Very high | 95.9 | Very high | 70 Ų | 70 | 46.3 Ų | 46.3 | 37% | 0.374 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.9 | -50.3 | 175 | -168.7 | 59.6 | 0 | 0 | 0 | 111 | W116 Y136 M137 G142 S143 L144 | W116-D140 HydrophobicContact CH2-CB 4.32Å; W116-D140 HydrophobicContact CZ2-CB 4.35Å; Y136-D140 HydrophobicContact CE1-CB 4.31Å; Y136-D140 WeakPolarHBondContact O-CB 3.33Å; Y136-D140 PolarHBondContact O-N 3.4Å; M137-D140 PolarHBondContact O-N 3.33Å; D140-G142 PolarHBondContact O-N 3.1Å; D140-S143 WeakPolarHBondContact O-CB 3.44Å; D140-S143 PolarHBondContact O-N 2.92Å; D140-S143 VanDerWaalsContact O-N 3.15Å; D140-L144 WeakPolarHBondContact O-CG 3.37Å; D140-L144 PolarHBondContact O-N 2.97Å |
| 141 | E | 97.3 | Very high | 96.2 | Very high | 100 Ų | 100 | 47.1 Ų | 47.1 | 47% | 0.467 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -55.9 | -50.9 | 175 | -174.7 | -178.1 | -169.1 | 0 | 0 | 111.3 | M137 S143 L144 T145 Y156 | M137-E141 WeakPolarHBondContact O-CB 3.27Å; M137-E141 PolarHBondContact O-N 3.44Å; E141-S143 VanDerWaalsContact C-N 3.28Å; E141-S143 PolarHBondContact O-N 3.32Å; E141-L144 WeakPolarHBondContact O-CB 3.46Å; E141-L144 PolarHBondContact O-N 2.79Å; E141-L144 VanDerWaalsContact O-N 3.15Å; E141-T145 PolarHBondContact O-N 3.16Å; E141-T145 PolarHBondContact O-OG1 3.04Å; E141-Y156 HydrophobicContact CG-CE2 4.17Å; E141-Y156 PolarHBondContact OE2-OH 3.12Å |
| 142 | G | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63 | -33 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q138 D140 T145 F146 Y156 | Q138-G142 PolarHBondContact O-N 3.09Å; D140-G142 PolarHBondContact O-N 3.1Å; G142-T145 PolarHBondContact O-N 3.37Å; G142-F146 WeakPolarHBondContact O-CB 3.47Å; G142-F146 PolarHBondContact O-N 2.92Å; G142-Y156 VanDerWaalsContact CA-CD1 3.48Å |
| 143 | S | 97.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.9 | -42 | 174.9 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | W116 L139 D140 E141 F146 N147 T179 | W116-S143 PolarHBondContact NE1-OG 2.97Å; L139-S143 WeakPolarHBondContact O-CB 3.36Å; L139-S143 PolarHBondContact O-N 3.38Å; L139-S143 PolarHBondContact O-OG 3.35Å; D140-S143 WeakPolarHBondContact O-CB 3.44Å; D140-S143 PolarHBondContact O-N 2.92Å; D140-S143 VanDerWaalsContact O-N 3.15Å; E141-S143 VanDerWaalsContact C-N 3.28Å; E141-S143 PolarHBondContact O-N 3.32Å; S143-F146 PolarHBondContact O-N 3.4Å; S143-N147 WeakPolarHBondContact O-CB 3.38Å; S143-N147 PolarHBondContact O-N 2.89Å; S143-N147 PolarHBondContact O-ND2 3.26Å; S143-N147 PolarHBondContact O-OD1 2.68Å; S143-T179 PolarHBondContact OG-OG1 2.96Å; S143-T179 VanDerWaalsContact OG-OG1 3.07Å |
| 144 | L | 97.5 | Very high | 96.5 | Very high | 107 Ų | 107 | 46.3 Ų | 46.3 | 56% | 0.56 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64 | -41.9 | 173.9 | -67.5 | 172.7 | 0 | 0 | 0 | 111.3 | D140 E141 N147 A148 | D140-L144 WeakPolarHBondContact O-CG 3.37Å; D140-L144 PolarHBondContact O-N 2.97Å; E141-L144 WeakPolarHBondContact O-CB 3.46Å; E141-L144 PolarHBondContact O-N 2.79Å; E141-L144 VanDerWaalsContact O-N 3.15Å; L144-N147 PolarHBondContact O-N 3.39Å; L144-A148 PolarHBondContact O-N 3.3Å; L144-A148 VanDerWaalsContact O-N 3.09Å |
| 145 | T | 97.7 | Very high | 96.7 | Very high | 35 Ų | 35 | 45.1 Ų | 45.1 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 175.5 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | E141 G142 N147 A148 N149 E152 | E141-T145 PolarHBondContact O-N 3.16Å; E141-T145 PolarHBondContact O-OG1 3.04Å; G142-T145 PolarHBondContact O-N 3.37Å; T145-N147 VanDerWaalsContact C-N 3.28Å; T145-N147 PolarHBondContact O-N 2.92Å; T145-A148 WeakPolarHBondContact O-CB 3.17Å; T145-A148 PolarHBondContact O-N 2.88Å; T145-N149 CarbonylContact O-C 3.33Å; T145-N149 PolarHBondContact O-N 2.88Å; T145-N149 VanDerWaalsContact O-O 3.04Å; T145-E152 HydrophobicContact CG2-CB 3.98Å |
| 146 | F | 97.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.009 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.8 | -42 | 174.1 | -176.5 | -85.2 | 0 | 0 | 0 | 112.2 | G142 S143 A148 N149 P150 V154 L180 K184 L185 Y188 | G142-F146 WeakPolarHBondContact O-CB 3.47Å; G142-F146 PolarHBondContact O-N 2.92Å; S143-F146 PolarHBondContact O-N 3.4Å; F146-A148 PolarHBondContact O-N 3.48Å; F146-N149 WeakPolarHBondContact CA-O 3.39Å; F146-N149 CarbonylContact O-C 3.57Å; F146-N149 VanDerWaalsContact O-C 3.3Å; F146-N149 PolarHBondContact O-N 3.19Å; F146-P150 HydrophobicContact CD2-CB 4.12Å; F146-P150 WeakPolarHBondContact CD2-O 3.38Å; F146-P150 HydrophobicContact CE2-CB 3.73Å; F146-P150 HydrophobicContact CZ-CB 3.95Å; F146-V154 HydrophobicContact CD2-CG2 3.86Å; F146-V154 HydrophobicContact CE2-CG2 3.8Å; F146-L180 HydrophobicContact CB-CD2 4.08Å; F146-L180 HydrophobicContact CD1-CB 4.07Å; F146-L180 HydrophobicContact CD1-CD1 4.18Å; F146-L180 HydrophobicContact CD1-CD2 3.69Å; F146-L180 HydrophobicContact CD1-CG 4.17Å; F146-L180 HydrophobicContact CE1-CB 4.02Å; F146-L180 HydrophobicContact CE1-CD1 3.99Å; F146-L180 HydrophobicContact CE1-CD2 4.32Å; F146-L180 HydrophobicContact CE1-CG 4.32Å; F146-L180 HydrophobicContact CG-CD2 3.91Å; F146-L180 HydrophobicContact CZ-CD1 4.2Å; F146-K184 HydrophobicContact CD1-CB 4.49Å; F146-K184 HydrophobicContact CE1-CB 4.18Å; F146-L185 HydrophobicContact CE1-CB 4.23Å; F146-L185 HydrophobicContact CE1-CD1 4.49Å; F146-L185 HydrophobicContact CZ-CB 4.39Å; F146-L185 HydrophobicContact CZ-CD1 3.99Å; F146-Y188 HydrophobicContact CE2-CD1 4.45Å; F146-Y188 HydrophobicContact CE2-CD2 4.48Å; F146-Y188 HydrophobicContact CE2-CG 4.19Å; F146-Y188 HydrophobicContact CZ-CG 4.34Å |
| 147 | N | 96.9 | Very high | 96.8 | Very high | 47 Ų | 47 | 44.9 Ų | 44.9 | 25% | 0.251 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.6 | -20.9 | 179.4 | -68.2 | -13.9 | 0 | 0 | 0 | 112.9 | S143 L144 T145 T179 L180 N181 K184 | S143-N147 WeakPolarHBondContact O-CB 3.38Å; S143-N147 PolarHBondContact O-N 2.89Å; S143-N147 PolarHBondContact O-ND2 3.26Å; S143-N147 PolarHBondContact O-OD1 2.68Å; L144-N147 PolarHBondContact O-N 3.39Å; T145-N147 VanDerWaalsContact C-N 3.28Å; T145-N147 PolarHBondContact O-N 2.92Å; N147-T179 PolarHBondContact ND2-O 3.15Å; N147-T179 VanDerWaalsContact ND2-O 3.09Å; N147-L180 WeakPolarHBondContact OD1-CA 3.45Å; N147-N181 HydrophobicContact CB-CB 4.18Å; N147-N181 WeakPolarHBondContact OD1-CB 3.43Å; N147-N181 PolarHBondContact OD1-N 3.34Å; N147-K184 WeakPolarHBondContact O-CE 3.22Å; N147-K184 WeakPolarHBondContact O-CG 3.43Å |
| 148 | A | 97.1 | Very high | 96.8 | Very high | 68 Ų | 68 | 42.5 Ų | 42.5 | 56% | 0.562 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -85.1 | -55.8 | 169 | 0 | 0 | 0 | 0 | 0 | 111.3 | L144 T145 F146 K184 | L144-A148 PolarHBondContact O-N 3.3Å; L144-A148 VanDerWaalsContact O-N 3.09Å; T145-A148 WeakPolarHBondContact O-CB 3.17Å; T145-A148 PolarHBondContact O-N 2.88Å; F146-A148 PolarHBondContact O-N 3.48Å; A148-K184 WeakPolarHBondContact O-CE 3.35Å; A148-K184 PolarHBondContact O-NZ 3.34Å |
| 149 | N | 97.2 | Very high | 96.8 | Very high | 51 Ų | 51 | 45 Ų | 45 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | trans | -139.1 | 114.3 | -179.5 | -177.3 | -26.2 | 0 | 0 | 0 | 109.9 | T145 F146 D151 E152 G153 | T145-N149 CarbonylContact O-C 3.33Å; T145-N149 PolarHBondContact O-N 2.88Å; T145-N149 VanDerWaalsContact O-O 3.04Å; F146-N149 WeakPolarHBondContact CA-O 3.39Å; F146-N149 CarbonylContact O-C 3.57Å; F146-N149 VanDerWaalsContact O-C 3.3Å; F146-N149 PolarHBondContact O-N 3.19Å; N149-D151 PolarHBondContact O-N 2.89Å; N149-D151 PolarHBondContact OD1-N 3.47Å; N149-D151 VanDerWaalsContact OD1-N 3.16Å; N149-E152 HydrophobicContact CB-CB 4.01Å; N149-E152 HydrophobicContact CB-CG 4.1Å; N149-E152 VanDerWaalsContact ND2-CD 3.34Å; N149-E152 PolarHBondContact ND2-OE1 3.14Å; N149-E152 PolarHBondContact O-N 3.08Å; N149-E152 PolarHBondContact OD1-N 3.07Å; N149-G153 PolarHBondContact O-N 3.41Å | ||
| 150 | P | 95.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 7% | 0.065 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.4 | -42.5 | -175.1 | -20.4 | 29.8 | 0 | 0 | 0 | 114.1 | F146 G153 V154 K184 Y188 | F146-P150 HydrophobicContact CD2-CB 4.12Å; F146-P150 WeakPolarHBondContact CD2-O 3.38Å; F146-P150 HydrophobicContact CE2-CB 3.73Å; F146-P150 HydrophobicContact CZ-CB 3.95Å; P150-G153 PolarHBondContact O-N 3.45Å; P150-V154 WeakPolarHBondContact O-CG2 3.5Å; P150-V154 PolarHBondContact O-N 3.38Å; P150-K184 HydrophobicContact CG-CB 4.05Å; P150-K184 HydrophobicContact CG-CD 4.24Å; P150-K184 WeakPolarHBondContact CG-O 3.38Å; P150-Y188 HydrophobicContact CB-CD2 3.82Å; P150-Y188 HydrophobicContact CB-CG 4.09Å |
| 151 | D | 95.3 | Very high | 96.6 | Very high | 68 Ų | 68 | 47.6 Ų | 47.6 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.1 | -44.3 | -178 | -67 | -44.7 | 0 | 0 | 0 | 111.3 | N149 G153 V154 N155 | N149-D151 PolarHBondContact O-N 2.89Å; N149-D151 PolarHBondContact OD1-N 3.47Å; N149-D151 VanDerWaalsContact OD1-N 3.16Å; D151-G153 VanDerWaalsContact C-N 3.3Å; D151-G153 PolarHBondContact O-N 3.37Å; D151-V154 PolarHBondContact O-N 2.91Å; D151-N155 VanDerWaalsContact O-CB 3.27Å; D151-N155 WeakPolarHBondContact O-CB 3.48Å; D151-N155 PolarHBondContact O-N 3.31Å; D151-N155 PolarHBondContact O-ND2 2.66Å |
| 152 | E | 96.8 | Very high | 96.5 | Very high | 115 Ų | 115 | 42.9 Ų | 42.9 | 54% | 0.537 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 175.1 | -70.4 | 176.1 | -157.6 | 0 | 0 | 111.5 | T145 N149 N155 Y156 | T145-E152 HydrophobicContact CG2-CB 3.98Å; N149-E152 HydrophobicContact CB-CB 4.01Å; N149-E152 HydrophobicContact CB-CG 4.1Å; N149-E152 VanDerWaalsContact ND2-CD 3.34Å; N149-E152 PolarHBondContact ND2-OE1 3.14Å; N149-E152 PolarHBondContact O-N 3.08Å; N149-E152 PolarHBondContact OD1-N 3.07Å; E152-N155 PolarHBondContact O-N 2.81Å; E152-Y156 VanDerWaalsContact O-CB 3.28Å; E152-Y156 WeakPolarHBondContact O-CB 3.46Å; E152-Y156 PolarHBondContact O-N 2.98Å |
| 153 | G | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.5 | -45.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N149 P150 D151 Y156 F157 | N149-G153 PolarHBondContact O-N 3.41Å; P150-G153 PolarHBondContact O-N 3.45Å; D151-G153 VanDerWaalsContact C-N 3.3Å; D151-G153 PolarHBondContact O-N 3.37Å; G153-Y156 WeakPolarHBondContact O-CB 3.34Å; G153-Y156 PolarHBondContact O-N 3.09Å; G153-F157 WeakPolarHBondContact O-CD2 3.39Å; G153-F157 PolarHBondContact O-N 3.16Å |
| 154 | V | 96 | Very high | 96.3 | Very high | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.048 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 176.4 | 173 | 0 | 0 | 0 | 0 | 111.1 | F146 P150 D151 Y156 F157 M158 I170 Y188 | F146-V154 HydrophobicContact CD2-CG2 3.86Å; F146-V154 HydrophobicContact CE2-CG2 3.8Å; P150-V154 WeakPolarHBondContact O-CG2 3.5Å; P150-V154 PolarHBondContact O-N 3.38Å; D151-V154 PolarHBondContact O-N 2.91Å; V154-Y156 VanDerWaalsContact C-N 3.27Å; V154-Y156 PolarHBondContact O-N 2.76Å; V154-F157 PolarHBondContact O-N 2.72Å; V154-F157 VanDerWaalsContact O-N 3.17Å; V154-M158 HydrophobicContact CG1-CE 3.46Å; V154-M158 VanDerWaalsContact CG1-CE 3.46Å; V154-M158 HydrophobicContact CG1-SD 4.18Å; V154-M158 WeakPolarHBondContact O-CG 3.48Å; V154-M158 PolarHBondContact O-N 3.09Å; V154-I170 HydrophobicContact CG1-CD1 4.36Å; V154-Y188 HydrophobicContact CB-CE2 4.31Å; V154-Y188 HydrophobicContact CG2-CD2 4.45Å; V154-Y188 HydrophobicContact CG2-CE1 4.31Å; V154-Y188 HydrophobicContact CG2-CE2 3.79Å |
| 155 | N | 96.7 | Very high | 96 | Very high | 98 Ų | 98 | 46.8 Ų | 46.8 | 52% | 0.524 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61 | -36.7 | 174.9 | -73.1 | -33.3 | 0 | 0 | 0 | 112 | D151 E152 M158 S159 | D151-N155 VanDerWaalsContact O-CB 3.27Å; D151-N155 WeakPolarHBondContact O-CB 3.48Å; D151-N155 PolarHBondContact O-N 3.31Å; D151-N155 PolarHBondContact O-ND2 2.66Å; E152-N155 PolarHBondContact O-N 2.81Å; N155-M158 PolarHBondContact O-N 2.82Å; N155-S159 WeakPolarHBondContact O-CB 3.4Å; N155-S159 PolarHBondContact O-N 2.96Å; N155-S159 PolarHBondContact O-OG 3.11Å |
| 156 | Y | 97.8 | Very high | 95.9 | Very high | 31 Ų | 31 | 47.3 Ų | 47.3 | 12% | 0.122 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.7 | -51.4 | 173.5 | 176.6 | -80 | 0 | 0 | 0 | 110.4 | Q138 E141 G142 E152 G153 V154 M158 S159 K160 | Q138-Y156 VanDerWaalsContact O-CE1 3.28Å; Q138-Y156 WeakPolarHBondContact O-CE1 3.3Å; E141-Y156 HydrophobicContact CG-CE2 4.17Å; E141-Y156 PolarHBondContact OE2-OH 3.12Å; G142-Y156 VanDerWaalsContact CA-CD1 3.48Å; E152-Y156 VanDerWaalsContact O-CB 3.28Å; E152-Y156 WeakPolarHBondContact O-CB 3.46Å; E152-Y156 PolarHBondContact O-N 2.98Å; G153-Y156 WeakPolarHBondContact O-CB 3.34Å; G153-Y156 PolarHBondContact O-N 3.09Å; V154-Y156 VanDerWaalsContact C-N 3.27Å; V154-Y156 PolarHBondContact O-N 2.76Å; Y156-M158 VanDerWaalsContact C-N 3.28Å; Y156-M158 PolarHBondContact O-N 3.25Å; Y156-S159 PolarHBondContact O-N 3.25Å; Y156-S159 VanDerWaalsContact O-N 3.16Å; Y156-S159 PolarHBondContact O-OG 3.21Å; Y156-K160 HydrophobicContact CD1-CG 4.17Å; Y156-K160 HydrophobicContact CE1-CG 3.68Å; Y156-K160 HydrophobicContact CE2-CG 4.36Å; Y156-K160 WeakPolarHBondContact O-CG 3.27Å; Y156-K160 PolarHBondContact O-N 3.25Å; Y156-K160 WeakPolarHBondContact OH-CE 3.46Å |
| 157 | F | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.9 | -39.9 | 179.2 | -67.2 | -54.8 | 0 | 0 | 0 | 112.6 | L139 G153 V154 G161 I162 L163 F173 | L139-F157 HydrophobicContact CD2-CD1 4.49Å; L139-F157 HydrophobicContact CD2-CE1 4.14Å; G153-F157 WeakPolarHBondContact O-CD2 3.39Å; G153-F157 PolarHBondContact O-N 3.16Å; V154-F157 PolarHBondContact O-N 2.72Å; V154-F157 VanDerWaalsContact O-N 3.17Å; F157-G161 PolarHBondContact O-N 2.88Å; F157-I162 HydrophobicContact CB-CB 4.38Å; F157-I162 HydrophobicContact CD1-CB 4.39Å; F157-I162 HydrophobicContact CD1-CD1 4.12Å; F157-I162 HydrophobicContact CD1-CG2 4.15Å; F157-I162 WeakPolarHBondContact O-CB 3.38Å; F157-I162 PolarHBondContact O-N 3.22Å; F157-L163 HydrophobicContact CB-CB 4.1Å; F157-L163 HydrophobicContact CB-CD1 3.77Å; F157-L163 HydrophobicContact CB-CG 3.92Å; F157-L163 HydrophobicContact CD2-CD1 3.98Å; F157-L163 HydrophobicContact CG-CD1 4.01Å; F157-L163 HydrophobicContact CG-CG 4.44Å; F157-L163 PolarHBondContact O-N 2.92Å; F157-F173 HydrophobicContact CD2-CE1 4.31Å; F157-F173 HydrophobicContact CD2-CZ 4.36Å; F157-F173 HydrophobicContact CE1-CZ 4.21Å; F157-F173 AromaticContact CE2-CE1 3.79Å; F157-F173 HydrophobicContact CE2-CE1 3.79Å; F157-F173 AromaticContact CE2-CZ 3.75Å; F157-F173 HydrophobicContact CE2-CZ 3.75Å; F157-F173 HydrophobicContact CZ-CE1 4.16Å; F157-F173 AromaticContact CZ-CZ 3.65Å; F157-F173 HydrophobicContact CZ-CZ 3.65Å |
| 158 | M | 95.8 | Very high | 95.8 | Very high | 39 Ų | 39 | 52 Ų | 52 | 19% | 0.192 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.7 | -46 | 175.6 | -66.8 | 173.1 | 178.5 | 0 | 0 | 111.8 | V154 N155 Y156 K160 G161 D165 I170 | V154-M158 HydrophobicContact CG1-CE 3.46Å; V154-M158 VanDerWaalsContact CG1-CE 3.46Å; V154-M158 HydrophobicContact CG1-SD 4.18Å; V154-M158 WeakPolarHBondContact O-CG 3.48Å; V154-M158 PolarHBondContact O-N 3.09Å; N155-M158 PolarHBondContact O-N 2.82Å; Y156-M158 VanDerWaalsContact C-N 3.28Å; Y156-M158 PolarHBondContact O-N 3.25Å; M158-K160 PolarHBondContact O-N 3.2Å; M158-G161 PolarHBondContact O-N 3.44Å; M158-D165 HydrophobicContact CE-CB 4Å; M158-D165 VanDerWaalsContact CE-OD1 3.32Å; M158-D165 WeakPolarHBondContact CE-OD1 3.09Å; M158-D165 HydrophobicContact SD-CB 4.05Å; M158-I170 HydrophobicContact CE-CD1 3.55Å; M158-I170 HydrophobicContact CE-CG1 4.24Å |
| 159 | S | 95.6 | Very high | 95.7 | Very high | 92 Ų | 92 | 50.1 Ų | 50.1 | 64% | 0.643 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.9 | -31 | -179.7 | 77.9 | 0 | 0 | 0 | 0 | 113.1 | N155 Y156 G161 | N155-S159 WeakPolarHBondContact O-CB 3.4Å; N155-S159 PolarHBondContact O-N 2.96Å; N155-S159 PolarHBondContact O-OG 3.11Å; Y156-S159 PolarHBondContact O-N 3.25Å; Y156-S159 VanDerWaalsContact O-N 3.16Å; Y156-S159 PolarHBondContact O-OG 3.21Å; S159-G161 VanDerWaalsContact C-N 3.31Å |
| 160 | K | 94.4 | Very high | 95.7 | Very high | 96 Ų | 96 | 47.7 Ų | 47.7 | 42% | 0.417 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -2.5 | 175.3 | -60.9 | -57 | -176.1 | -176.1 | 0 | 113.2 | Y156 M158 I162 | Y156-K160 HydrophobicContact CD1-CG 4.17Å; Y156-K160 HydrophobicContact CE1-CG 3.68Å; Y156-K160 HydrophobicContact CE2-CG 4.36Å; Y156-K160 WeakPolarHBondContact O-CG 3.27Å; Y156-K160 PolarHBondContact O-N 3.25Å; Y156-K160 WeakPolarHBondContact OH-CE 3.46Å; M158-K160 PolarHBondContact O-N 3.2Å; K160-I162 HydrophobicContact CB-CD1 3.8Å; K160-I162 HydrophobicContact CB-CG1 3.84Å; K160-I162 HydrophobicContact CG-CD1 4.49Å; K160-I162 PolarHBondContact O-N 3.01Å |
| 161 | G | 93.6 | Very high | 95.7 | Very high | 30 Ų | 30 | 47.2 Ų | 47.2 | 31% | 0.309 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 16.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | F157 M158 S159 | F157-G161 PolarHBondContact O-N 2.88Å; M158-G161 PolarHBondContact O-N 3.44Å; S159-G161 VanDerWaalsContact C-N 3.31Å |
| 162 | I | 95.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -74.3 | -43.6 | -179.1 | -64.5 | 174.3 | 0 | 0 | 0 | 110.2 | C119 S120 I121 L135 Q138 L139 F157 K160 | C119-I162 HydrophobicContact CB-CG2 4.21Å; S120-I162 PolarHBondContact N-O 3.44Å; S120-I162 VanDerWaalsContact N-O 3.1Å; I121-I162 HydrophobicContact CG2-CG2 4.41Å; I121-I162 PolarHBondContact N-O 3.4Å; L135-I162 HydrophobicContact CD1-CD1 3.93Å; L135-I162 HydrophobicContact CD1-CG1 3.77Å; Q138-I162 HydrophobicContact CB-CD1 3.8Å; L139-I162 HydrophobicContact CD2-CD1 4.42Å; L139-I162 HydrophobicContact CD2-CG2 3.52Å; L139-I162 HydrophobicContact CG-CD1 4.46Å; L139-I162 HydrophobicContact CG-CG2 4.36Å; F157-I162 HydrophobicContact CB-CB 4.38Å; F157-I162 HydrophobicContact CD1-CB 4.39Å; F157-I162 HydrophobicContact CD1-CD1 4.12Å; F157-I162 HydrophobicContact CD1-CG2 4.15Å; F157-I162 WeakPolarHBondContact O-CB 3.38Å; F157-I162 PolarHBondContact O-N 3.22Å; K160-I162 HydrophobicContact CB-CD1 3.8Å; K160-I162 HydrophobicContact CB-CG1 3.84Å; K160-I162 HydrophobicContact CG-CD1 4.49Å; K160-I162 PolarHBondContact O-N 3.01Å |
| 163 | L | 95.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -118.6 | 143.2 | 176.6 | -66.2 | 179.2 | 0 | 0 | 0 | 110.4 | F157 F173 | F157-L163 HydrophobicContact CB-CB 4.1Å; F157-L163 HydrophobicContact CB-CD1 3.77Å; F157-L163 HydrophobicContact CB-CG 3.92Å; F157-L163 HydrophobicContact CD2-CD1 3.98Å; F157-L163 HydrophobicContact CG-CD1 4.01Å; F157-L163 HydrophobicContact CG-CG 4.44Å; F157-L163 PolarHBondContact O-N 2.92Å; L163-F173 HydrophobicContact CD1-CB 4.06Å; L163-F173 HydrophobicContact CD1-CD1 3.8Å; L163-F173 HydrophobicContact CD1-CD2 4.02Å; L163-F173 HydrophobicContact CD1-CE1 4.23Å; L163-F173 HydrophobicContact CD1-CE2 4.46Å; L163-F173 HydrophobicContact CD1-CG 3.7Å; L163-F173 HydrophobicContact CD2-CB 3.74Å; L163-F173 HydrophobicContact CD2-CD2 3.77Å; L163-F173 HydrophobicContact CD2-CG 3.88Å; L163-F173 HydrophobicContact CG-CD2 4.32Å; L163-F173 HydrophobicContact CG-CG 4.37Å |
| 164 | D | 94.6 | Very high | 95.7 | Very high | 64 Ų | 64 | 42 Ų | 42 | 34% | 0.342 | 23% | 0.228 | S | C | . | . | trans | -80.2 | 149.2 | 168.3 | -72.8 | -39.3 | 0 | 0 | 0 | 111 | S120 K124 S166 E169 | S120-D164 WeakPolarHBondContact CB-OD2 3.21Å; S120-D164 PolarHBondContact OG-N 3.44Å; S120-D164 VanDerWaalsContact OG-N 3.15Å; K124-D164 WeakPolarHBondContact CE-OD1 3.33Å; K124-D164 VanDerWaalsContact CE-OD2 3.27Å; K124-D164 WeakPolarHBondContact CE-OD2 3.41Å; K124-D164 VanDerWaalsContact NZ-CG 3.33Å; K124-D164 IonicContact NZ-OD1 2.62Å; K124-D164 PolarHBondContact NZ-OD1 3.04Å; K124-D164 IonicContact NZ-OD2 2.71Å; K124-D164 PolarHBondContact NZ-OD2 3.4Å; D164-S166 PolarHBondContact O-N 3.31Å; D164-E169 HydrophobicContact CB-CB 4.47Å; D164-E169 HydrophobicContact CB-CG 4.33Å | ||
| 165 | D | 92.1 | Very high | 95.6 | Very high | 125 Ų | 125 | 44.8 Ų | 44.8 | 67% | 0.668 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -75.7 | 68.8 | 172 | -168.7 | 15.4 | 0 | 0 | 0 | 110.9 | M158 | M158-D165 HydrophobicContact CE-CB 4Å; M158-D165 VanDerWaalsContact CE-OD1 3.32Å; M158-D165 WeakPolarHBondContact CE-OD1 3.09Å; M158-D165 HydrophobicContact SD-CB 4.05Å |
| 166 | S | 95.4 | Very high | 95.5 | Very high | 45 Ų | 45 | 42.8 Ų | 42.8 | 32% | 0.315 | 23% | 0.232 | S | C | . | . | trans | -137.8 | 127.3 | 176.7 | -179.7 | 0 | 0 | 0 | 0 | 109 | D164 K168 E169 I170 | D164-S166 PolarHBondContact O-N 3.31Å; S166-K168 PolarHBondContact O-N 2.76Å; S166-K168 VanDerWaalsContact O-N 3.12Å; S166-E169 PolarHBondContact O-N 3.37Å; S166-I170 WeakPolarHBondContact O-CG1 3.43Å; S166-I170 PolarHBondContact O-N 3.25Å; S166-I170 VanDerWaalsContact O-N 3.09Å | ||
| 167 | P | 95.9 | Very high | 95.2 | Very high | 35 Ų | 35 | 42 Ų | 42 | 23% | 0.227 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.8 | -37.1 | -179.6 | -27.8 | 35.8 | 0 | 0 | 0 | 113 | I170 A171 D194 V195 D198 | P167-I170 PolarHBondContact O-N 3.05Å; P167-A171 VanDerWaalsContact O-CB 3.23Å; P167-A171 WeakPolarHBondContact O-CB 3.44Å; P167-A171 PolarHBondContact O-N 3.49Å; P167-D194 HydrophobicContact CB-CB 4.32Å; P167-D194 HydrophobicContact CG-CB 4.31Å; P167-D194 VanDerWaalsContact CG-OD2 3.24Å; P167-D194 WeakPolarHBondContact CG-OD2 3.28Å; P167-V195 HydrophobicContact CB-CG2 4.08Å; P167-D198 WeakPolarHBondContact CB-OD2 3.39Å |
| 168 | K | 96.3 | Very high | 94.7 | Very high | 114 Ų | 114 | 53 Ų | 53 | 50% | 0.496 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64 | -40 | 176.9 | -174.2 | 174.7 | -175.2 | 175.4 | 0 | 113.8 | S166 K172 D198 | S166-K168 PolarHBondContact O-N 2.76Å; S166-K168 VanDerWaalsContact O-N 3.12Å; K168-K172 VanDerWaalsContact O-CG 3.3Å; K168-K172 WeakPolarHBondContact O-CG 3.47Å; K168-K172 PolarHBondContact O-N 3.16Å; K168-K172 VanDerWaalsContact O-N 3.09Å; K168-D198 PolarHBondContact N-OD2 2.86Å; K168-D198 VanDerWaalsContact N-OD2 3.16Å |
| 169 | E | 96.2 | Very high | 94.6 | Very high | 27 Ų | 27 | 53 Ų | 53 | 13% | 0.126 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.8 | -39.3 | 179.8 | -71.4 | -61.6 | 116.5 | 0 | 0 | 111.2 | H118 S120 D164 S166 K172 F173 | H118-E169 IonicContact CE1-OE2 3.82Å; H118-E169 PolarHBondContact CE1-OE2 3.05Å; H118-E169 VanDerWaalsContact CE1-OE2 3.32Å; H118-E169 IonicContact NE2-OE1 3.65Å; H118-E169 IonicContact NE2-OE2 3.15Å; H118-E169 PolarHBondContact NE2-OE2 2.56Å; S120-E169 WeakPolarHBondContact OG-CB 3.04Å; S120-E169 PolarHBondContact OG-OE2 3.45Å; D164-E169 HydrophobicContact CB-CB 4.47Å; D164-E169 HydrophobicContact CB-CG 4.33Å; S166-E169 PolarHBondContact O-N 3.37Å; E169-K172 PolarHBondContact O-N 3Å; E169-K172 IonicContact OE1-NZ 2.73Å; E169-K172 PolarHBondContact OE1-NZ 3.48Å; E169-F173 PolarHBondContact O-N 3.45Å |
| 170 | I | 96.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 173.2 | -58.3 | 166.4 | 0 | 0 | 0 | 110 | V154 M158 S166 P167 K172 F173 I174 Y188 V195 | V154-I170 HydrophobicContact CG1-CD1 4.36Å; M158-I170 HydrophobicContact CE-CD1 3.55Å; M158-I170 HydrophobicContact CE-CG1 4.24Å; S166-I170 WeakPolarHBondContact O-CG1 3.43Å; S166-I170 PolarHBondContact O-N 3.25Å; S166-I170 VanDerWaalsContact O-N 3.09Å; P167-I170 PolarHBondContact O-N 3.05Å; I170-K172 PolarHBondContact O-N 2.81Å; I170-F173 WeakPolarHBondContact O-CB 3.37Å; I170-F173 PolarHBondContact O-N 2.98Å; I170-I174 HydrophobicContact CG2-CD1 3.77Å; I170-I174 HydrophobicContact CG2-CG1 4.46Å; I170-I174 WeakPolarHBondContact O-CG1 3.36Å; I170-I174 PolarHBondContact O-N 3.07Å; I170-Y188 HydrophobicContact CG2-CE1 4.11Å; I170-V195 HydrophobicContact CB-CG1 4.23Å; I170-V195 HydrophobicContact CB-CG2 4.35Å; I170-V195 HydrophobicContact CD1-CG2 4.34Å; I170-V195 HydrophobicContact CG2-CG1 3.81Å; I170-V195 HydrophobicContact CG2-CG2 4.23Å |
| 171 | A | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.9 | -44 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P167 I174 F175 V195 D198 L199 L202 | P167-A171 VanDerWaalsContact O-CB 3.23Å; P167-A171 WeakPolarHBondContact O-CB 3.44Å; P167-A171 PolarHBondContact O-N 3.49Å; A171-I174 PolarHBondContact O-N 3.23Å; A171-F175 VanDerWaalsContact O-CB 3.27Å; A171-F175 WeakPolarHBondContact O-CB 3.43Å; A171-F175 PolarHBondContact O-N 3.35Å; A171-V195 HydrophobicContact CB-CG1 4.19Å; A171-D198 HydrophobicContact CB-CB 3.56Å; A171-L199 HydrophobicContact CB-CB 4.14Å; A171-L199 WeakPolarHBondContact O-CD1 3.48Å; A171-L202 HydrophobicContact CB-CD1 4.27Å |
| 172 | K | 96.5 | Very high | 94.3 | Very high | 57 Ų | 57 | 50.5 Ų | 50.5 | 25% | 0.248 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -41.1 | 175.5 | -72 | 171.3 | -172 | 169.1 | 0 | 112.4 | H118 K168 E169 I170 F175 C176 L202 | H118-K172 HydrophobicContact CB-CB 4.27Å; H118-K172 WeakPolarHBondContact CD2-CB 3.41Å; K168-K172 VanDerWaalsContact O-CG 3.3Å; K168-K172 WeakPolarHBondContact O-CG 3.47Å; K168-K172 PolarHBondContact O-N 3.16Å; K168-K172 VanDerWaalsContact O-N 3.09Å; E169-K172 PolarHBondContact O-N 3Å; E169-K172 IonicContact OE1-NZ 2.73Å; E169-K172 PolarHBondContact OE1-NZ 3.48Å; I170-K172 PolarHBondContact O-N 2.81Å; K172-F175 PolarHBondContact O-N 3.22Å; K172-C176 WeakPolarHBondContact O-CB 3.39Å; K172-C176 PolarHBondContact O-N 3.15Å; K172-C176 VanDerWaalsContact O-N 3.16Å; K172-C176 PolarHBondContact O-SG 2.71Å; K172-C176 VanDerWaalsContact O-SG 3.33Å; K172-L202 HydrophobicContact CB-CD1 4.45Å; K172-L202 HydrophobicContact CG-CD1 4.07Å; K172-L202 HydrophobicContact CG-CD2 4.16Å |
| 173 | F | 96.5 | Very high | 94.1 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59 | -52.4 | 175.6 | 172.8 | -96.4 | 0 | 0 | 0 | 110.6 | W116 H118 L139 F157 L163 E169 I170 F175 C176 T177 L180 | W116-F173 HydrophobicContact CB-CE2 4.23Å; W116-F173 AromaticContact CD1-CE2 3.53Å; W116-F173 AromaticContact CD1-CZ 3.64Å; W116-F173 HydrophobicContact CG-CE2 4.16Å; H118-F173 WeakPolarHBondContact O-CD2 3.36Å; L139-F173 HydrophobicContact CD2-CE2 4.21Å; F157-F173 HydrophobicContact CD2-CE1 4.31Å; F157-F173 HydrophobicContact CD2-CZ 4.36Å; F157-F173 HydrophobicContact CE1-CZ 4.21Å; F157-F173 AromaticContact CE2-CE1 3.79Å; F157-F173 HydrophobicContact CE2-CE1 3.79Å; F157-F173 AromaticContact CE2-CZ 3.75Å; F157-F173 HydrophobicContact CE2-CZ 3.75Å; F157-F173 HydrophobicContact CZ-CE1 4.16Å; F157-F173 AromaticContact CZ-CZ 3.65Å; F157-F173 HydrophobicContact CZ-CZ 3.65Å; L163-F173 HydrophobicContact CD1-CB 4.06Å; L163-F173 HydrophobicContact CD1-CD1 3.8Å; L163-F173 HydrophobicContact CD1-CD2 4.02Å; L163-F173 HydrophobicContact CD1-CE1 4.23Å; L163-F173 HydrophobicContact CD1-CE2 4.46Å; L163-F173 HydrophobicContact CD1-CG 3.7Å; L163-F173 HydrophobicContact CD2-CB 3.74Å; L163-F173 HydrophobicContact CD2-CD2 3.77Å; L163-F173 HydrophobicContact CD2-CG 3.88Å; L163-F173 HydrophobicContact CG-CD2 4.32Å; L163-F173 HydrophobicContact CG-CG 4.37Å; E169-F173 PolarHBondContact O-N 3.45Å; I170-F173 WeakPolarHBondContact O-CB 3.37Å; I170-F173 PolarHBondContact O-N 2.98Å; F173-F175 VanDerWaalsContact C-N 3.31Å; F173-F175 PolarHBondContact O-N 3.26Å; F173-C176 PolarHBondContact O-N 2.97Å; F173-T177 HydrophobicContact CD1-CG2 4.4Å; F173-T177 HydrophobicContact CE1-CG2 4.24Å; F173-T177 WeakPolarHBondContact O-CB 3.45Å; F173-T177 WeakPolarHBondContact O-CG2 3.41Å; F173-T177 PolarHBondContact O-N 3.15Å; F173-L180 HydrophobicContact CD1-CD1 4.46Å; F173-L180 HydrophobicContact CE1-CD1 3.97Å; F173-L180 HydrophobicContact CE1-CD2 4.4Å |
| 174 | I | 95.1 | Very high | 94 | Very high | 13 Ų | 13 | 58.4 Ų | 58.4 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 177.8 | -72 | 167.4 | 0 | 0 | 0 | 111.6 | I170 A171 C176 L180 L185 Y188 L189 V195 L199 | I170-I174 HydrophobicContact CG2-CD1 3.77Å; I170-I174 HydrophobicContact CG2-CG1 4.46Å; I170-I174 WeakPolarHBondContact O-CG1 3.36Å; I170-I174 PolarHBondContact O-N 3.07Å; A171-I174 PolarHBondContact O-N 3.23Å; I174-C176 VanDerWaalsContact C-N 3.3Å; I174-C176 PolarHBondContact O-N 3.07Å; I174-L180 HydrophobicContact CG1-CD1 4.17Å; I174-L185 HydrophobicContact CB-CD1 4.38Å; I174-L185 HydrophobicContact CD1-CD1 3.76Å; I174-L185 HydrophobicContact CG1-CD1 3.91Å; I174-L185 HydrophobicContact CG2-CD1 3.55Å; I174-L185 HydrophobicContact CG2-CD2 3.78Å; I174-L185 HydrophobicContact CG2-CG 4.26Å; I174-Y188 HydrophobicContact CD1-CD1 4.23Å; I174-Y188 HydrophobicContact CD1-CE1 4.11Å; I174-L189 HydrophobicContact CD1-CD2 4.35Å; I174-V195 HydrophobicContact CD1-CG1 3.92Å; I174-L199 HydrophobicContact CB-CD1 4.35Å; I174-L199 HydrophobicContact CG2-CD1 3.91Å; I174-L199 HydrophobicContact CG2-CD2 4.04Å |
| 175 | F | 94.6 | Very high | 94 | Very high | 65 Ų | 65 | 56.1 Ų | 56.1 | 29% | 0.285 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.9 | -35.6 | -177.8 | -171.9 | -97 | 0 | 0 | 0 | 112.8 | A171 K172 F173 L199 L202 H203 | A171-F175 VanDerWaalsContact O-CB 3.27Å; A171-F175 WeakPolarHBondContact O-CB 3.43Å; A171-F175 PolarHBondContact O-N 3.35Å; K172-F175 PolarHBondContact O-N 3.22Å; F173-F175 VanDerWaalsContact C-N 3.31Å; F173-F175 PolarHBondContact O-N 3.26Å; F175-L199 HydrophobicContact CB-CD1 3.73Å; F175-L199 HydrophobicContact CD2-CD1 3.98Å; F175-L199 HydrophobicContact CG-CD1 4.37Å; F175-L202 HydrophobicContact CB-CD1 3.62Å; F175-L202 HydrophobicContact CD1-CB 4.4Å; F175-L202 HydrophobicContact CD1-CD1 4.5Å; F175-L202 HydrophobicContact CD2-CB 3.84Å; F175-L202 HydrophobicContact CD2-CD1 4.28Å; F175-L202 HydrophobicContact CE2-CB 4.03Å; F175-L202 HydrophobicContact CG-CB 4.04Å; F175-L202 HydrophobicContact CG-CD1 3.89Å; F175-L202 HydrophobicContact CZ-CB 4.39Å; F175-H203 AromaticContact CE2-CE1 3.65Å; F175-H203 AromaticContact CE2-ND1 3.76Å; F175-H203 AromaticContact CE2-NE2 3.88Å |
| 176 | C | 93.6 | Very high | 93.9 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 38% | 0.378 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -93.8 | -28.5 | -173.5 | -66.6 | 0 | 0 | 0 | 0 | 113.7 | W116 H118 K172 F173 I174 | W116-C176 CarbonylContact O-C 3.59Å; W116-C176 WeakPolarHBondContact O-CB 3.1Å; H118-C176 HydrophobicContact CB-CB 4.14Å; K172-C176 WeakPolarHBondContact O-CB 3.39Å; K172-C176 PolarHBondContact O-N 3.15Å; K172-C176 VanDerWaalsContact O-N 3.16Å; K172-C176 PolarHBondContact O-SG 2.71Å; K172-C176 VanDerWaalsContact O-SG 3.33Å; F173-C176 PolarHBondContact O-N 2.97Å; I174-C176 VanDerWaalsContact C-N 3.3Å; I174-C176 PolarHBondContact O-N 3.07Å |
| 177 | T | 92.5 | Very high | 93.7 | Very high | 15 Ų | 15 | 53.4 Ų | 53.4 | 9% | 0.092 | 25% | 0.247 | C | C | . | . | trans | -76.8 | 147.9 | -177.1 | -173.2 | 0 | 0 | 0 | 0 | 112.5 | W116 F173 T179 L180 | W116-T177 PolarHBondContact O-N 2.69Å; F173-T177 HydrophobicContact CD1-CG2 4.4Å; F173-T177 HydrophobicContact CE1-CG2 4.24Å; F173-T177 WeakPolarHBondContact O-CB 3.45Å; F173-T177 WeakPolarHBondContact O-CG2 3.41Å; F173-T177 PolarHBondContact O-N 3.15Å; T177-T179 PolarHBondContact OG1-N 3.31Å; T177-T179 PolarHBondContact OG1-OG1 2.95Å; T177-L180 HydrophobicContact CG2-CB 4.49Å; T177-L180 HydrophobicContact CG2-CD1 3.64Å; T177-L180 HydrophobicContact CG2-CG 3.61Å | ||
| 178 | R | 86.9 | Confident | 93.6 | Very high | 230 Ų | 230 | 51.9 Ų | 51.9 | 87% | 0.868 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -114.1 | 3.3 | 174.1 | -57.3 | 179.5 | 71.6 | 139.7 | 1 | 112.9 | ||
| 179 | T | 92.5 | Very high | 93.4 | Very high | 40 Ų | 40 | 46.4 Ų | 46.4 | 25% | 0.245 | 21% | 0.213 | C | C | . | . | trans | -90 | -16.9 | -171.6 | 65.6 | 0 | 0 | 0 | 0 | 113.5 | T115 W116 S143 N147 T177 | T115-T179 HydrophobicContact CG2-CG2 3.6Å; W116-T179 HydrophobicContact CZ2-CG2 4.19Å; W116-T179 PolarHBondContact NE1-OG1 3.29Å; S143-T179 PolarHBondContact OG-OG1 2.96Å; S143-T179 VanDerWaalsContact OG-OG1 3.07Å; N147-T179 PolarHBondContact ND2-O 3.15Å; N147-T179 VanDerWaalsContact ND2-O 3.09Å; T177-T179 PolarHBondContact OG1-N 3.31Å; T177-T179 PolarHBondContact OG1-OG1 2.95Å | ||
| 180 | L | 94.3 | Very high | 93.1 | Very high | 23 Ų | 23 | 48.5 Ų | 48.5 | 12% | 0.12 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -82.7 | 139 | -175 | -54.4 | -175.9 | 0 | 0 | 0 | 111.6 | F146 N147 F173 I174 T177 W182 | F146-L180 HydrophobicContact CB-CD2 4.08Å; F146-L180 HydrophobicContact CD1-CB 4.07Å; F146-L180 HydrophobicContact CD1-CD1 4.18Å; F146-L180 HydrophobicContact CD1-CD2 3.69Å; F146-L180 HydrophobicContact CD1-CG 4.17Å; F146-L180 HydrophobicContact CE1-CB 4.02Å; F146-L180 HydrophobicContact CE1-CD1 3.99Å; F146-L180 HydrophobicContact CE1-CD2 4.32Å; F146-L180 HydrophobicContact CE1-CG 4.32Å; F146-L180 HydrophobicContact CG-CD2 3.91Å; F146-L180 HydrophobicContact CZ-CD1 4.2Å; N147-L180 WeakPolarHBondContact OD1-CA 3.45Å; F173-L180 HydrophobicContact CD1-CD1 4.46Å; F173-L180 HydrophobicContact CE1-CD1 3.97Å; F173-L180 HydrophobicContact CE1-CD2 4.4Å; I174-L180 HydrophobicContact CG1-CD1 4.17Å; T177-L180 HydrophobicContact CG2-CB 4.49Å; T177-L180 HydrophobicContact CG2-CD1 3.64Å; T177-L180 HydrophobicContact CG2-CG 3.61Å; L180-W182 PolarHBondContact O-N 2.85Å |
| 181 | N | 93.9 | Very high | 92.9 | Very high | 67 Ų | 67 | 54.2 Ų | 54.2 | 36% | 0.358 | 25% | 0.251 | S | S | . | . | trans | -72.1 | 121.7 | 175.7 | -177.3 | -71.9 | 0 | 0 | 0 | 109.7 | N147 K183 K184 L185 | N147-N181 HydrophobicContact CB-CB 4.18Å; N147-N181 WeakPolarHBondContact OD1-CB 3.43Å; N147-N181 PolarHBondContact OD1-N 3.34Å; N181-K183 VanDerWaalsContact C-N 3.27Å; N181-K183 PolarHBondContact O-N 2.88Å; N181-K183 VanDerWaalsContact OD1-CB 3.3Å; N181-K183 WeakPolarHBondContact OD1-CB 3.23Å; N181-K183 PolarHBondContact OD1-N 3.49Å; N181-K184 HydrophobicContact CB-CB 4.25Å; N181-K184 HydrophobicContact CB-CG 4.21Å; N181-K184 PolarHBondContact O-N 3.43Å; N181-K184 VanDerWaalsContact O-N 3.14Å; N181-K184 PolarHBondContact OD1-N 3.24Å; N181-L185 WeakPolarHBondContact O-CB 3.3Å; N181-L185 PolarHBondContact O-N 3.43Å | ||
| 182 | W | 90.1 | Very high | 92.7 | Very high | 75 Ų | 75 | 57.4 Ų | 57.4 | 28% | 0.284 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.7 | -30.7 | -175.4 | 69.2 | -95.5 | 0 | 0 | 0 | 114.4 | L180 L185 R186 H222 E225 | L180-W182 PolarHBondContact O-N 2.85Å; W182-L185 PolarHBondContact O-N 3.02Å; W182-R186 VanDerWaalsContact CE3-NH2 3.33Å; W182-R186 WeakPolarHBondContact O-CB 3.38Å; W182-R186 PolarHBondContact O-N 3.09Å; W182-H222 HydrophobicContact CB-CB 4.34Å; W182-H222 WeakPolarHBondContact CB-CD2 3.36Å; W182-H222 HydrophobicContact CD2-CB 4.25Å; W182-H222 HydrophobicContact CE3-CB 3.86Å; W182-H222 AromaticContact CG-CD2 3.92Å; W182-H222 AromaticContact CG-CG 3.93Å; W182-E225 HydrophobicContact CH2-CG 4.46Å; W182-E225 WeakPolarHBondContact CH2-OE1 3.24Å |
| 183 | K | 90.9 | Very high | 92.5 | Very high | 105 Ų | 105 | 57.7 Ų | 57.7 | 46% | 0.457 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 178 | -62.5 | -171.6 | 173 | -162.8 | 0 | 110.4 | N181 R186 I187 E225 | N181-K183 VanDerWaalsContact C-N 3.27Å; N181-K183 PolarHBondContact O-N 2.88Å; N181-K183 VanDerWaalsContact OD1-CB 3.3Å; N181-K183 WeakPolarHBondContact OD1-CB 3.23Å; N181-K183 PolarHBondContact OD1-N 3.49Å; K183-R186 WeakPolarHBondContact O-CB 3.27Å; K183-R186 PolarHBondContact O-N 3.4Å; K183-I187 WeakPolarHBondContact O-CG1 3.32Å; K183-I187 PolarHBondContact O-N 3.47Å; K183-E225 IonicContact NZ-OE1 3.69Å |
| 184 | K | 93.8 | Very high | 92.5 | Very high | 66 Ų | 66 | 60.5 Ų | 60.5 | 29% | 0.287 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.8 | -41.5 | 176.8 | -67.1 | -67.1 | -177.7 | 168.7 | 0 | 111.7 | F146 N147 A148 P150 N181 R186 I187 Y188 | F146-K184 HydrophobicContact CD1-CB 4.49Å; F146-K184 HydrophobicContact CE1-CB 4.18Å; N147-K184 WeakPolarHBondContact O-CE 3.22Å; N147-K184 WeakPolarHBondContact O-CG 3.43Å; A148-K184 WeakPolarHBondContact O-CE 3.35Å; A148-K184 PolarHBondContact O-NZ 3.34Å; P150-K184 HydrophobicContact CG-CB 4.05Å; P150-K184 HydrophobicContact CG-CD 4.24Å; P150-K184 WeakPolarHBondContact CG-O 3.38Å; N181-K184 HydrophobicContact CB-CB 4.25Å; N181-K184 HydrophobicContact CB-CG 4.21Å; N181-K184 PolarHBondContact O-N 3.43Å; N181-K184 VanDerWaalsContact O-N 3.14Å; N181-K184 PolarHBondContact OD1-N 3.24Å; K184-R186 VanDerWaalsContact C-N 3.29Å; K184-R186 PolarHBondContact O-N 2.95Å; K184-I187 PolarHBondContact O-N 3.06Å; K184-Y188 PolarHBondContact O-N 3.39Å; K184-Y188 VanDerWaalsContact O-N 3.07Å |
| 185 | L | 93.4 | Very high | 92.5 | Very high | 15 Ų | 15 | 59.9 Ų | 59.9 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 174.3 | -178.5 | 62.1 | 0 | 0 | 0 | 112.2 | F146 I174 N181 W182 Y188 L189 | F146-L185 HydrophobicContact CE1-CB 4.23Å; F146-L185 HydrophobicContact CE1-CD1 4.49Å; F146-L185 HydrophobicContact CZ-CB 4.39Å; F146-L185 HydrophobicContact CZ-CD1 3.99Å; I174-L185 HydrophobicContact CB-CD1 4.38Å; I174-L185 HydrophobicContact CD1-CD1 3.76Å; I174-L185 HydrophobicContact CG1-CD1 3.91Å; I174-L185 HydrophobicContact CG2-CD1 3.55Å; I174-L185 HydrophobicContact CG2-CD2 3.78Å; I174-L185 HydrophobicContact CG2-CG 4.26Å; N181-L185 WeakPolarHBondContact O-CB 3.3Å; N181-L185 PolarHBondContact O-N 3.43Å; W182-L185 PolarHBondContact O-N 3.02Å; L185-Y188 PolarHBondContact O-N 2.99Å; L185-L189 HydrophobicContact CD1-CD1 4.07Å; L185-L189 HydrophobicContact CD1-CG 4.08Å; L185-L189 HydrophobicContact CD2-CD1 4.45Å; L185-L189 HydrophobicContact CG-CD1 3.87Å; L185-L189 HydrophobicContact CG-CG 4.3Å; L185-L189 WeakPolarHBondContact O-CB 3.38Å; L185-L189 VanDerWaalsContact O-CG 3.3Å; L185-L189 WeakPolarHBondContact O-CG 3.47Å; L185-L189 PolarHBondContact O-N 3.42Å |
| 186 | R | 90.4 | Very high | 92.5 | Very high | 32 Ų | 32 | 56.8 Ų | 56.8 | 12% | 0.121 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 176.1 | -177 | -170.9 | -53.1 | -73.4 | -1.5 | 112.3 | W182 K183 K184 Y188 L189 D190 H222 A223 P224 Y230 | W182-R186 VanDerWaalsContact CE3-NH2 3.33Å; W182-R186 WeakPolarHBondContact O-CB 3.38Å; W182-R186 PolarHBondContact O-N 3.09Å; K183-R186 WeakPolarHBondContact O-CB 3.27Å; K183-R186 PolarHBondContact O-N 3.4Å; K184-R186 VanDerWaalsContact C-N 3.29Å; K184-R186 PolarHBondContact O-N 2.95Å; R186-Y188 VanDerWaalsContact C-N 3.29Å; R186-Y188 PolarHBondContact O-N 2.95Å; R186-L189 PolarHBondContact O-N 3.1Å; R186-D190 PolarHBondContact O-N 3.15Å; R186-H222 VanDerWaalsContact CZ-O 3.31Å; R186-H222 PolarHBondContact NH1-O 3.1Å; R186-H222 PolarHBondContact NH2-O 3.24Å; R186-A223 VanDerWaalsContact NH1-C 3.29Å; R186-A223 PolarHBondContact NH2-O 3.05Å; R186-P224 VanDerWaalsContact CZ-CA 3.48Å; R186-Y230 HydrophobicContact CG-CD1 4.11Å; R186-Y230 HydrophobicContact CG-CE1 3.6Å |
| 187 | I | 90.9 | Very high | 92.6 | Very high | 82 Ų | 82 | 57.5 Ų | 57.5 | 42% | 0.421 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58 | -47.7 | 179.2 | -64.4 | 165 | 0 | 0 | 0 | 109.3 | K183 K184 L189 D190 E191 | K183-I187 WeakPolarHBondContact O-CG1 3.32Å; K183-I187 PolarHBondContact O-N 3.47Å; K184-I187 PolarHBondContact O-N 3.06Å; I187-L189 PolarHBondContact O-N 2.91Å; I187-D190 PolarHBondContact O-N 3.01Å; I187-E191 PolarHBondContact O-N 3.16Å |
| 188 | Y | 93.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 178.1 | -175.4 | -102.4 | 0 | 0 | 0 | 113.4 | F146 P150 V154 I170 I174 K184 L185 R186 D190 E191 R192 V195 | F146-Y188 HydrophobicContact CE2-CD1 4.45Å; F146-Y188 HydrophobicContact CE2-CD2 4.48Å; F146-Y188 HydrophobicContact CE2-CG 4.19Å; F146-Y188 HydrophobicContact CZ-CG 4.34Å; P150-Y188 HydrophobicContact CB-CD2 3.82Å; P150-Y188 HydrophobicContact CB-CG 4.09Å; V154-Y188 HydrophobicContact CB-CE2 4.31Å; V154-Y188 HydrophobicContact CG2-CD2 4.45Å; V154-Y188 HydrophobicContact CG2-CE1 4.31Å; V154-Y188 HydrophobicContact CG2-CE2 3.79Å; I170-Y188 HydrophobicContact CG2-CE1 4.11Å; I174-Y188 HydrophobicContact CD1-CD1 4.23Å; I174-Y188 HydrophobicContact CD1-CE1 4.11Å; K184-Y188 PolarHBondContact O-N 3.39Å; K184-Y188 VanDerWaalsContact O-N 3.07Å; L185-Y188 PolarHBondContact O-N 2.99Å; R186-Y188 VanDerWaalsContact C-N 3.29Å; R186-Y188 PolarHBondContact O-N 2.95Å; Y188-D190 VanDerWaalsContact C-N 3.31Å; Y188-D190 PolarHBondContact O-N 3.26Å; Y188-E191 PolarHBondContact O-N 2.96Å; Y188-R192 HydrophobicContact CD2-CG 4.36Å; Y188-R192 HydrophobicContact CE1-CB 4.16Å; Y188-R192 HydrophobicContact CE1-CG 4.25Å; Y188-R192 HydrophobicContact CE2-CG 3.81Å; Y188-R192 WeakPolarHBondContact O-CB 3.42Å; Y188-R192 PolarHBondContact O-N 3.46Å; Y188-V195 HydrophobicContact CE1-CG1 4.33Å; Y188-V195 HydrophobicContact CE1-CG2 4.38Å |
| 189 | L | 93 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72.9 | -22.1 | -179.6 | -68.8 | 175 | 0 | 0 | 0 | 113.6 | I174 L185 R186 I187 V195 L196 L199 I221 Y230 | I174-L189 HydrophobicContact CD1-CD2 4.35Å; L185-L189 HydrophobicContact CD1-CD1 4.07Å; L185-L189 HydrophobicContact CD1-CG 4.08Å; L185-L189 HydrophobicContact CD2-CD1 4.45Å; L185-L189 HydrophobicContact CG-CD1 3.87Å; L185-L189 HydrophobicContact CG-CG 4.3Å; L185-L189 WeakPolarHBondContact O-CB 3.38Å; L185-L189 VanDerWaalsContact O-CG 3.3Å; L185-L189 WeakPolarHBondContact O-CG 3.47Å; L185-L189 PolarHBondContact O-N 3.42Å; R186-L189 PolarHBondContact O-N 3.1Å; I187-L189 PolarHBondContact O-N 2.91Å; L189-V195 HydrophobicContact CD2-CB 4.43Å; L189-V195 HydrophobicContact CD2-CG1 4.02Å; L189-L196 HydrophobicContact CB-CB 4.43Å; L189-L196 HydrophobicContact CB-CD1 4.49Å; L189-L196 HydrophobicContact CD1-CD1 4.4Å; L189-L196 HydrophobicContact CD2-CB 4.23Å; L189-L199 HydrophobicContact CD1-CD2 3.64Å; L189-L199 HydrophobicContact CD2-CD2 4.02Å; L189-I221 HydrophobicContact CD1-CG2 4.49Å; L189-Y230 WeakPolarHBondContact CB-OH 3.41Å |
| 190 | D | 90.2 | Very high | 93.3 | Very high | 70 Ų | 70 | 46.7 Ų | 46.7 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -71.5 | -40.6 | 172.7 | -161.9 | 20.7 | 0 | 0 | 0 | 110.9 | R186 I187 Y188 R193 Y230 | R186-D190 PolarHBondContact O-N 3.15Å; I187-D190 PolarHBondContact O-N 3.01Å; Y188-D190 VanDerWaalsContact C-N 3.31Å; Y188-D190 PolarHBondContact O-N 3.26Å; D190-R193 PolarHBondContact O-NE 3.35Å; D190-R193 IonicContact OD1-CZ 2.81Å; D190-R193 IonicContact OD1-NE 3.22Å; D190-R193 IonicContact OD1-NH1 3.43Å; D190-R193 IonicContact OD1-NH2 3.82Å; D190-R193 PolarHBondContact OD1-NH2 3.4Å; D190-Y230 HydrophobicContact CB-CD2 3.82Å; D190-Y230 HydrophobicContact CB-CE2 3.8Å; D190-Y230 WeakPolarHBondContact OD1-CD2 3.44Å |
| 191 | E | 91.6 | Very high | 93.4 | Very high | 122 Ų | 122 | 48.8 Ų | 48.8 | 57% | 0.57 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -76.4 | -44.3 | 176.4 | -65.8 | 178.2 | 175 | 0 | 0 | 112.4 | I187 Y188 R193 | I187-E191 PolarHBondContact O-N 3.16Å; Y188-E191 PolarHBondContact O-N 2.96Å; E191-R193 PolarHBondContact O-N 3.4Å |
| 192 | R | 93.1 | Very high | 93.5 | Very high | 67 Ų | 67 | 48.2 Ų | 48.2 | 25% | 0.253 | 23% | 0.23 | S | C | . | . | trans | -97.2 | 69.9 | -179.7 | -66.9 | -64.7 | -57.8 | -92.3 | 1.8 | 112.1 | Y188 D194 V195 L196 | Y188-R192 HydrophobicContact CD2-CG 4.36Å; Y188-R192 HydrophobicContact CE1-CB 4.16Å; Y188-R192 HydrophobicContact CE1-CG 4.25Å; Y188-R192 HydrophobicContact CE2-CG 3.81Å; Y188-R192 WeakPolarHBondContact O-CB 3.42Å; Y188-R192 PolarHBondContact O-N 3.46Å; R192-D194 VanDerWaalsContact C-OD1 3.24Å; R192-D194 WeakPolarHBondContact CA-OD1 3.45Å; R192-D194 IonicContact CZ-OD1 3.15Å; R192-D194 IonicContact CZ-OD2 2.97Å; R192-D194 IonicContact NE-OD1 3.56Å; R192-D194 PolarHBondContact NE-OD1 3.29Å; R192-D194 IonicContact NE-OD2 3.62Å; R192-D194 PolarHBondContact NE-OD2 3.38Å; R192-D194 IonicContact NH2-OD1 2.68Å; R192-D194 IonicContact NH2-OD2 2.81Å; R192-D194 PolarHBondContact NH2-OD2 3.35Å; R192-D194 PolarHBondContact O-N 3.43Å; R192-V195 HydrophobicContact CB-CB 4.16Å; R192-V195 HydrophobicContact CB-CG2 3.93Å; R192-V195 PolarHBondContact O-N 2.83Å; R192-V195 VanDerWaalsContact O-N 3.11Å; R192-L196 PolarHBondContact O-N 3.46Å; R192-L196 VanDerWaalsContact O-N 3.14Å | ||
| 193 | R | 91.8 | Very high | 93.7 | Very high | 62 Ų | 62 | 45 Ų | 45 | 23% | 0.234 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.1 | -30.6 | 179.1 | -65.1 | -66.2 | -167.2 | -175.5 | -0.2 | 113.6 | D190 E191 L196 D197 Y230 | D190-R193 PolarHBondContact O-NE 3.35Å; D190-R193 IonicContact OD1-CZ 2.81Å; D190-R193 IonicContact OD1-NE 3.22Å; D190-R193 IonicContact OD1-NH1 3.43Å; D190-R193 IonicContact OD1-NH2 3.82Å; D190-R193 PolarHBondContact OD1-NH2 3.4Å; E191-R193 PolarHBondContact O-N 3.4Å; R193-L196 WeakPolarHBondContact O-CB 3.39Å; R193-L196 PolarHBondContact O-N 3.07Å; R193-D197 PolarHBondContact O-N 2.77Å; R193-Y230 VanDerWaalsContact NH1-CD2 3.28Å |
| 194 | D | 95.2 | Very high | 94 | Very high | 63 Ų | 63 | 44.4 Ų | 44.4 | 34% | 0.337 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.7 | -45.6 | 173.9 | 58.7 | -31.1 | 0 | 0 | 0 | 111.8 | P167 R192 D197 D198 | P167-D194 HydrophobicContact CB-CB 4.32Å; P167-D194 HydrophobicContact CG-CB 4.31Å; P167-D194 VanDerWaalsContact CG-OD2 3.24Å; P167-D194 WeakPolarHBondContact CG-OD2 3.28Å; R192-D194 VanDerWaalsContact C-OD1 3.24Å; R192-D194 WeakPolarHBondContact CA-OD1 3.45Å; R192-D194 IonicContact CZ-OD1 3.15Å; R192-D194 IonicContact CZ-OD2 2.97Å; R192-D194 IonicContact NE-OD1 3.56Å; R192-D194 PolarHBondContact NE-OD1 3.29Å; R192-D194 IonicContact NE-OD2 3.62Å; R192-D194 PolarHBondContact NE-OD2 3.38Å; R192-D194 IonicContact NH2-OD1 2.68Å; R192-D194 IonicContact NH2-OD2 2.81Å; R192-D194 PolarHBondContact NH2-OD2 3.35Å; R192-D194 PolarHBondContact O-N 3.43Å; D194-D197 PolarHBondContact O-N 3.29Å; D194-D198 PolarHBondContact O-N 2.92Å |
| 195 | V | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.6 | -40.5 | 175.6 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | P167 I170 A171 I174 Y188 L189 R192 D197 D198 L199 | P167-V195 HydrophobicContact CB-CG2 4.08Å; I170-V195 HydrophobicContact CB-CG1 4.23Å; I170-V195 HydrophobicContact CB-CG2 4.35Å; I170-V195 HydrophobicContact CD1-CG2 4.34Å; I170-V195 HydrophobicContact CG2-CG1 3.81Å; I170-V195 HydrophobicContact CG2-CG2 4.23Å; A171-V195 HydrophobicContact CB-CG1 4.19Å; I174-V195 HydrophobicContact CD1-CG1 3.92Å; Y188-V195 HydrophobicContact CE1-CG1 4.33Å; Y188-V195 HydrophobicContact CE1-CG2 4.38Å; L189-V195 HydrophobicContact CD2-CB 4.43Å; L189-V195 HydrophobicContact CD2-CG1 4.02Å; R192-V195 HydrophobicContact CB-CB 4.16Å; R192-V195 HydrophobicContact CB-CG2 3.93Å; R192-V195 PolarHBondContact O-N 2.83Å; R192-V195 VanDerWaalsContact O-N 3.11Å; V195-D197 VanDerWaalsContact C-N 3.3Å; V195-D197 PolarHBondContact O-N 2.95Å; V195-D198 PolarHBondContact O-N 3.48Å; V195-L199 VanDerWaalsContact O-CB 3.3Å; V195-L199 WeakPolarHBondContact O-CB 3.28Å; V195-L199 PolarHBondContact O-N 3.3Å |
| 196 | L | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.3 | -39.8 | 176.2 | 176 | 61.8 | 0 | 0 | 0 | 111.9 | L189 R192 R193 L199 V200 I221 Y230 L234 K237 | L189-L196 HydrophobicContact CB-CB 4.43Å; L189-L196 HydrophobicContact CB-CD1 4.49Å; L189-L196 HydrophobicContact CD1-CD1 4.4Å; L189-L196 HydrophobicContact CD2-CB 4.23Å; R192-L196 PolarHBondContact O-N 3.46Å; R192-L196 VanDerWaalsContact O-N 3.14Å; R193-L196 WeakPolarHBondContact O-CB 3.39Å; R193-L196 PolarHBondContact O-N 3.07Å; L196-L199 PolarHBondContact O-N 3.22Å; L196-V200 HydrophobicContact CD1-CG2 4.08Å; L196-V200 HydrophobicContact CG-CG2 4.46Å; L196-V200 WeakPolarHBondContact O-CG2 3.4Å; L196-V200 PolarHBondContact O-N 2.87Å; L196-I221 HydrophobicContact CD1-CD1 4.37Å; L196-Y230 HydrophobicContact CD2-CE2 4.25Å; L196-L234 HydrophobicContact CD1-CD2 3.83Å; L196-L234 HydrophobicContact CD2-CD2 4.1Å; L196-K237 HydrophobicContact CD2-CD 3.93Å; L196-K237 HydrophobicContact CG-CD 3.89Å |
| 197 | D | 94.6 | Very high | 94.1 | Very high | 72 Ų | 72 | 54.9 Ų | 54.9 | 39% | 0.385 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61 | -50.8 | 176.6 | -85 | -45.6 | 0 | 0 | 0 | 112 | R193 D194 V195 L199 V200 T201 K237 | R193-D197 PolarHBondContact O-N 2.77Å; D194-D197 PolarHBondContact O-N 3.29Å; V195-D197 VanDerWaalsContact C-N 3.3Å; V195-D197 PolarHBondContact O-N 2.95Å; D197-L199 VanDerWaalsContact C-N 3.31Å; D197-L199 PolarHBondContact O-N 3.33Å; D197-V200 PolarHBondContact O-N 2.88Å; D197-T201 WeakPolarHBondContact O-CG2 3.39Å; D197-T201 PolarHBondContact O-N 2.9Å; D197-T201 VanDerWaalsContact O-N 3.16Å; D197-K237 WeakPolarHBondContact OD1-CD 3.4Å; D197-K237 WeakPolarHBondContact OD1-CE 3.29Å; D197-K237 IonicContact OD1-NZ 3.53Å; D197-K237 PolarHBondContact OD1-NZ 2.8Å; D197-K237 IonicContact OD2-NZ 2.68Å; D197-K237 PolarHBondContact OD2-NZ 3.38Å |
| 198 | D | 96.6 | Very high | 94.3 | Very high | 47 Ų | 47 | 54.1 Ų | 54.1 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 175 | -83.7 | -51.5 | 0 | 0 | 0 | 111.4 | P167 K168 A171 D194 V195 V200 T201 L202 | P167-D198 WeakPolarHBondContact CB-OD2 3.39Å; K168-D198 PolarHBondContact N-OD2 2.86Å; K168-D198 VanDerWaalsContact N-OD2 3.16Å; A171-D198 HydrophobicContact CB-CB 3.56Å; D194-D198 PolarHBondContact O-N 2.92Å; V195-D198 PolarHBondContact O-N 3.48Å; D198-V200 PolarHBondContact O-N 3.36Å; D198-T201 WeakPolarHBondContact O-CB 3.28Å; D198-T201 PolarHBondContact O-N 3.02Å; D198-T201 VanDerWaalsContact O-N 3.07Å; D198-T201 PolarHBondContact O-OG1 3.46Å; D198-L202 PolarHBondContact O-N 3.17Å |
| 199 | L | 95.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61 | -43.3 | 179.4 | -176.5 | 68.6 | 0 | 0 | 0 | 112.5 | A171 I174 F175 L189 V195 L196 D197 T201 L202 H203 I221 | A171-L199 HydrophobicContact CB-CB 4.14Å; A171-L199 WeakPolarHBondContact O-CD1 3.48Å; I174-L199 HydrophobicContact CB-CD1 4.35Å; I174-L199 HydrophobicContact CG2-CD1 3.91Å; I174-L199 HydrophobicContact CG2-CD2 4.04Å; F175-L199 HydrophobicContact CB-CD1 3.73Å; F175-L199 HydrophobicContact CD2-CD1 3.98Å; F175-L199 HydrophobicContact CG-CD1 4.37Å; L189-L199 HydrophobicContact CD1-CD2 3.64Å; L189-L199 HydrophobicContact CD2-CD2 4.02Å; V195-L199 VanDerWaalsContact O-CB 3.3Å; V195-L199 WeakPolarHBondContact O-CB 3.28Å; V195-L199 PolarHBondContact O-N 3.3Å; L196-L199 PolarHBondContact O-N 3.22Å; D197-L199 VanDerWaalsContact C-N 3.31Å; D197-L199 PolarHBondContact O-N 3.33Å; L199-T201 VanDerWaalsContact C-N 3.25Å; L199-T201 PolarHBondContact O-N 2.96Å; L199-L202 HydrophobicContact CD1-CD1 4.49Å; L199-L202 WeakPolarHBondContact O-CB 3.41Å; L199-L202 PolarHBondContact O-N 3.32Å; L199-H203 PolarHBondContact O-ND1 3.35Å; L199-H203 VanDerWaalsContact O-ND1 3.11Å; L199-I221 HydrophobicContact CD2-CD1 3.97Å; L199-I221 HydrophobicContact CD2-CG1 3.97Å; L199-I221 HydrophobicContact CG-CD1 4.34Å |
| 200 | V | 96 | Very high | 94.4 | Very high | 6 Ų | 6 | 57.3 Ų | 57.3 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63 | -36.7 | 175.9 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | L196 D197 D198 L202 H203 F217 I221 K237 R241 | L196-V200 HydrophobicContact CD1-CG2 4.08Å; L196-V200 HydrophobicContact CG-CG2 4.46Å; L196-V200 WeakPolarHBondContact O-CG2 3.4Å; L196-V200 PolarHBondContact O-N 2.87Å; D197-V200 PolarHBondContact O-N 2.88Å; D198-V200 PolarHBondContact O-N 3.36Å; V200-L202 PolarHBondContact O-N 2.94Å; V200-H203 PolarHBondContact O-N 3.35Å; V200-F217 HydrophobicContact CG1-CE2 4.32Å; V200-F217 HydrophobicContact CG2-CE2 3.93Å; V200-F217 HydrophobicContact CG2-CZ 4.1Å; V200-I221 HydrophobicContact CG2-CD1 4.44Å; V200-K237 HydrophobicContact CG1-CB 4.18Å; V200-K237 HydrophobicContact CG2-CB 3.98Å; V200-K237 HydrophobicContact CG2-CD 4.24Å; V200-R241 HydrophobicContact CG1-CB 3.67Å; V200-R241 HydrophobicContact CG1-CG 4.01Å |
| 201 | T | 95.7 | Very high | 94.7 | Very high | 67 Ų | 67 | 54 Ų | 54 | 41% | 0.411 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.5 | -16.8 | 178.8 | 78.4 | 0 | 0 | 0 | 0 | 114.2 | D197 D198 L199 H203 R241 | D197-T201 WeakPolarHBondContact O-CG2 3.39Å; D197-T201 PolarHBondContact O-N 2.9Å; D197-T201 VanDerWaalsContact O-N 3.16Å; D198-T201 WeakPolarHBondContact O-CB 3.28Å; D198-T201 PolarHBondContact O-N 3.02Å; D198-T201 VanDerWaalsContact O-N 3.07Å; D198-T201 PolarHBondContact O-OG1 3.46Å; L199-T201 VanDerWaalsContact C-N 3.25Å; L199-T201 PolarHBondContact O-N 2.96Å; T201-H203 VanDerWaalsContact C-N 3.33Å; T201-R241 PolarHBondContact O-NH1 3.49Å; T201-R241 PolarHBondContact O-NH2 3.14Å |
| 202 | L | 95.4 | Very high | 94.9 | Very high | 56 Ų | 56 | 51.2 Ų | 51.2 | 29% | 0.293 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -76.1 | -22.4 | 175.7 | -63.6 | 174.4 | 0 | 0 | 0 | 112.6 | A171 K172 F175 D198 L199 V200 | A171-L202 HydrophobicContact CB-CD1 4.27Å; K172-L202 HydrophobicContact CB-CD1 4.45Å; K172-L202 HydrophobicContact CG-CD1 4.07Å; K172-L202 HydrophobicContact CG-CD2 4.16Å; F175-L202 HydrophobicContact CB-CD1 3.62Å; F175-L202 HydrophobicContact CD1-CB 4.4Å; F175-L202 HydrophobicContact CD1-CD1 4.5Å; F175-L202 HydrophobicContact CD2-CB 3.84Å; F175-L202 HydrophobicContact CD2-CD1 4.28Å; F175-L202 HydrophobicContact CE2-CB 4.03Å; F175-L202 HydrophobicContact CG-CB 4.04Å; F175-L202 HydrophobicContact CG-CD1 3.89Å; F175-L202 HydrophobicContact CZ-CB 4.39Å; D198-L202 PolarHBondContact O-N 3.17Å; L199-L202 HydrophobicContact CD1-CD1 4.49Å; L199-L202 WeakPolarHBondContact O-CB 3.41Å; L199-L202 PolarHBondContact O-N 3.32Å; V200-L202 PolarHBondContact O-N 2.94Å |
| 203 | H | 95.8 | Very high | 95 | Very high | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.028 | 24% | 0.237 | C | C | . | . | trans | -71.8 | 133.6 | 178.7 | -68.6 | 75.6 | 0 | 0 | 0 | 111.4 | F175 L199 V200 T201 F205 F217 H220 R241 | F175-H203 AromaticContact CE2-CE1 3.65Å; F175-H203 AromaticContact CE2-ND1 3.76Å; F175-H203 AromaticContact CE2-NE2 3.88Å; L199-H203 PolarHBondContact O-ND1 3.35Å; L199-H203 VanDerWaalsContact O-ND1 3.11Å; V200-H203 PolarHBondContact O-N 3.35Å; T201-H203 VanDerWaalsContact C-N 3.33Å; H203-F205 HydrophobicContact CB-CD2 4.48Å; H203-F205 HydrophobicContact CB-CE1 3.86Å; H203-F205 HydrophobicContact CB-CE2 3.73Å; H203-F205 HydrophobicContact CB-CZ 3.37Å; H203-F205 AromaticContact CD2-CZ 3.9Å; H203-F205 AromaticContact CG-CZ 3.84Å; H203-F217 AromaticContact NE2-CD2 3.94Å; H203-H220 AromaticContact NE2-ND1 3.97Å; H203-R241 PolarHBondContact O-NE 2.97Å; H203-R241 PolarHBondContact O-NH2 3.35Å | ||
| 204 | N | 95.3 | Very high | 95.2 | Very high | 93 Ų | 93 | 45.1 Ų | 45.1 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | trans | -112.4 | 106.8 | 175.5 | -178.4 | 14.8 | 0 | 0 | 0 | 110.9 | R206 | N204-R206 WeakPolarHBondContact OD1-CB 3.36Å; N204-R206 WeakPolarHBondContact OD1-CG 3.08Å; N204-R206 PolarHBondContact OD1-N 3.38Å | ||
| 205 | F | 96.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | trans | -100.8 | 15.6 | -178.5 | -54.3 | -55 | 0 | 0 | 0 | 113.7 | H203 N207 Q208 A213 F217 F238 R241 F242 C245 N246 | H203-F205 HydrophobicContact CB-CD2 4.48Å; H203-F205 HydrophobicContact CB-CE1 3.86Å; H203-F205 HydrophobicContact CB-CE2 3.73Å; H203-F205 HydrophobicContact CB-CZ 3.37Å; H203-F205 AromaticContact CD2-CZ 3.9Å; H203-F205 AromaticContact CG-CZ 3.84Å; F205-N207 PolarHBondContact O-N 3.24Å; F205-Q208 PolarHBondContact O-N 3.46Å; F205-A213 HydrophobicContact CB-CB 4.11Å; F205-A213 HydrophobicContact CD1-CB 3.6Å; F205-A213 HydrophobicContact CE1-CB 4.2Å; F205-A213 HydrophobicContact CG-CB 3.97Å; F205-F217 HydrophobicContact CE1-CB 4.33Å; F205-F217 HydrophobicContact CZ-CB 4.01Å; F205-F217 AromaticContact CZ-CD2 3.92Å; F205-F217 HydrophobicContact CZ-CD2 3.92Å; F205-F217 HydrophobicContact CZ-CG 4.34Å; F205-F238 HydrophobicContact CD1-CE2 4.48Å; F205-F238 HydrophobicContact CD2-CE2 4.19Å; F205-F238 HydrophobicContact CE1-CE2 4Å; F205-F238 AromaticContact CE2-CD2 3.73Å; F205-F238 HydrophobicContact CE2-CD2 3.73Å; F205-F238 AromaticContact CE2-CE2 3.68Å; F205-F238 HydrophobicContact CE2-CE2 3.68Å; F205-F238 AromaticContact CZ-CD2 3.73Å; F205-F238 HydrophobicContact CZ-CD2 3.73Å; F205-F238 AromaticContact CZ-CE2 3.57Å; F205-F238 HydrophobicContact CZ-CE2 3.57Å; F205-R241 HydrophobicContact CD2-CG 3.86Å; F205-R241 HydrophobicContact CE2-CB 4.24Å; F205-R241 HydrophobicContact CE2-CG 3.68Å; F205-F242 HydrophobicContact CB-CD2 3.81Å; F205-F242 HydrophobicContact CB-CE2 4.29Å; F205-F242 HydrophobicContact CD2-CB 4.4Å; F205-F242 HydrophobicContact CD2-CD2 4.44Å; F205-F242 HydrophobicContact CG-CD2 4.26Å; F205-C245 HydrophobicContact CB-CB 4.08Å; F205-N246 PolarHBondContact O-ND2 3.34Å; F205-N246 PolarHBondContact O-OD1 3.45Å | ||
| 206 | R | 94.8 | Very high | 95.1 | Very high | 168 Ų | 168 | 46.9 Ų | 46.9 | 63% | 0.634 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | 135.2 | 178 | -80.5 | 175.5 | 178.2 | 170.2 | 2.9 | 111.1 | N204 Q208 C245 N246 | N204-R206 WeakPolarHBondContact OD1-CB 3.36Å; N204-R206 WeakPolarHBondContact OD1-CG 3.08Å; N204-R206 PolarHBondContact OD1-N 3.38Å; R206-Q208 PolarHBondContact O-N 3.04Å; R206-Q208 VanDerWaalsContact O-N 3.09Å; R206-C245 HydrophobicContact CG-CB 4.28Å; R206-C245 WeakPolarHBondContact CG-O 3.26Å; R206-N246 WeakPolarHBondContact CA-OD1 3.35Å |
| 207 | N | 89.8 | Confident | 95.1 | Very high | 164 Ų | 164 | 46.9 Ų | 46.9 | 88% | 0.877 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 17.8 | 178.5 | -55.4 | -34.8 | 0 | 0 | 0 | 114 | F205 N246 | F205-N207 PolarHBondContact O-N 3.24Å; N207-N246 PolarHBondContact N-OD1 3.4Å |
| 208 | Q | 94.3 | Very high | 95 | Very high | 67 Ų | 67 | 43.8 Ų | 43.8 | 31% | 0.313 | 21% | 0.213 | S | C | . | . | trans | -97.7 | 138.2 | 175.9 | -64.8 | -167.8 | -1.3 | 0 | 0 | 110.7 | F205 R206 A213 | F205-Q208 PolarHBondContact O-N 3.46Å; R206-Q208 PolarHBondContact O-N 3.04Å; R206-Q208 VanDerWaalsContact O-N 3.09Å; Q208-A213 HydrophobicContact CB-CB 4.08Å | ||
| 209 | F | 94.8 | Very high | 94.6 | Very high | 66 Ų | 66 | 47.8 Ų | 47.8 | 29% | 0.289 | 23% | 0.225 | S | C | . | . | trans | -68.9 | 139.7 | 170.4 | -167.3 | -132 | 0 | 0 | 0 | 110.2 | P211 N212 A213 F303 H306 L307 N310 | F209-P211 HydrophobicContact CD1-CG 3.91Å; F209-P211 HydrophobicContact CE1-CG 3.78Å; F209-N212 WeakPolarHBondContact O-CA 3.49Å; F209-N212 WeakPolarHBondContact O-CB 3.44Å; F209-N212 PolarHBondContact O-N 3.28Å; F209-A213 PolarHBondContact O-N 2.8Å; F209-F303 HydrophobicContact CE2-CD2 4.35Å; F209-F303 AromaticContact CE2-CE2 3.76Å; F209-F303 HydrophobicContact CE2-CE2 3.76Å; F209-F303 HydrophobicContact CE2-CZ 4.42Å; F209-H306 HydrophobicContact CZ-CB 3.91Å; F209-L307 HydrophobicContact CE1-CD2 3.99Å; F209-L307 HydrophobicContact CE2-CD2 4.04Å; F209-L307 HydrophobicContact CZ-CD2 3.52Å; F209-L307 HydrophobicContact CZ-CG 4.2Å; F209-N310 HydrophobicContact CD1-CB 4.26Å; F209-N310 HydrophobicContact CE1-CB 3.86Å | ||
| 210 | L | 95.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -48.9 | -48.9 | -170.4 | 174.7 | 65.5 | 0 | 0 | 0 | 114.3 | N212 A213 L214 F238 F242 V260 L263 L267 L307 | L210-N212 VanDerWaalsContact C-N 3.29Å; L210-N212 PolarHBondContact O-N 3.43Å; L210-A213 PolarHBondContact O-N 3.05Å; L210-L214 WeakPolarHBondContact O-CB 3.45Å; L210-L214 PolarHBondContact O-N 3.38Å; L210-F238 HydrophobicContact CD1-CE1 3.76Å; L210-F238 HydrophobicContact CD1-CZ 4.13Å; L210-F242 HydrophobicContact CB-CE1 4.28Å; L210-F242 HydrophobicContact CB-CE2 4.41Å; L210-F242 HydrophobicContact CB-CZ 3.93Å; L210-F242 HydrophobicContact CD1-CD1 3.93Å; L210-F242 HydrophobicContact CD1-CD2 4.17Å; L210-F242 HydrophobicContact CD1-CE1 3.93Å; L210-F242 HydrophobicContact CD1-CE2 4.18Å; L210-F242 HydrophobicContact CD1-CG 4.06Å; L210-F242 HydrophobicContact CD1-CZ 4.07Å; L210-V260 HydrophobicContact CD1-CG1 3.84Å; L210-L263 HydrophobicContact CD2-CB 3.84Å; L210-L263 HydrophobicContact CD2-CD1 3.91Å; L210-L267 HydrophobicContact CD2-CD1 4.18Å; L210-L267 HydrophobicContact CG-CD1 4.19Å; L210-L307 HydrophobicContact CB-CD2 4.25Å; L210-L307 HydrophobicContact CD2-CD2 4.4Å |
| 211 | P | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -30.5 | 178.7 | -19.5 | 33.1 | 0 | 0 | 0 | 113.8 | F209 R215 L267 L307 N310 I311 | F209-P211 HydrophobicContact CD1-CG 3.91Å; F209-P211 HydrophobicContact CE1-CG 3.78Å; P211-R215 WeakPolarHBondContact O-CG 3.48Å; P211-R215 PolarHBondContact O-N 2.84Å; P211-R215 PolarHBondContact O-NH1 3.07Å; P211-L267 HydrophobicContact CB-CD1 4.27Å; P211-L267 HydrophobicContact CG-CD1 3.94Å; P211-L267 HydrophobicContact CG-CD2 4.3Å; P211-L307 HydrophobicContact CG-CD2 3.55Å; P211-N310 VanDerWaalsContact CB-OD1 3.28Å; P211-N310 WeakPolarHBondContact CB-OD1 3.24Å; P211-N310 HydrophobicContact CG-CB 4.31Å; P211-I311 HydrophobicContact CB-CD1 3.77Å; P211-I311 HydrophobicContact CG-CD1 4.45Å |
| 212 | N | 95.6 | Very high | 93.2 | Very high | 64 Ų | 64 | 50 Ų | 50 | 34% | 0.342 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -72.9 | -43.3 | 178.1 | -63.6 | -9.6 | 0 | 0 | 0 | 110.4 | F209 L210 L214 R215 E216 N310 | F209-N212 WeakPolarHBondContact O-CA 3.49Å; F209-N212 WeakPolarHBondContact O-CB 3.44Å; F209-N212 PolarHBondContact O-N 3.28Å; L210-N212 VanDerWaalsContact C-N 3.29Å; L210-N212 PolarHBondContact O-N 3.43Å; N212-L214 VanDerWaalsContact C-N 3.31Å; N212-L214 PolarHBondContact O-N 3.06Å; N212-R215 PolarHBondContact O-N 2.97Å; N212-R215 PolarHBondContact OD1-NH1 2.99Å; N212-E216 PolarHBondContact O-N 3.44Å; N212-N310 PolarHBondContact OD1-ND2 3.3Å; N212-N310 PolarHBondContact OD1-OD1 3.48Å |
| 213 | A | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.4 | -41.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F205 Q208 F209 L210 E216 F217 F238 F242 | F205-A213 HydrophobicContact CB-CB 4.11Å; F205-A213 HydrophobicContact CD1-CB 3.6Å; F205-A213 HydrophobicContact CE1-CB 4.2Å; F205-A213 HydrophobicContact CG-CB 3.97Å; Q208-A213 HydrophobicContact CB-CB 4.08Å; F209-A213 PolarHBondContact O-N 2.8Å; L210-A213 PolarHBondContact O-N 3.05Å; A213-E216 PolarHBondContact O-N 2.74Å; A213-F217 WeakPolarHBondContact O-CB 3.36Å; A213-F217 PolarHBondContact O-N 3.19Å; A213-F238 HydrophobicContact CB-CE2 4.13Å; A213-F238 HydrophobicContact CB-CZ 3.91Å; A213-F242 HydrophobicContact CB-CD2 3.75Å; A213-F242 HydrophobicContact CB-CE2 3.69Å |
| 214 | L | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.9 | -39.8 | 179 | -171.7 | 59.3 | 0 | 0 | 0 | 112.2 | L210 N212 F217 F218 F238 C264 L267 I268 V317 | L210-L214 WeakPolarHBondContact O-CB 3.45Å; L210-L214 PolarHBondContact O-N 3.38Å; N212-L214 VanDerWaalsContact C-N 3.31Å; N212-L214 PolarHBondContact O-N 3.06Å; L214-F217 PolarHBondContact O-N 2.99Å; L214-F218 HydrophobicContact CD1-CD2 3.95Å; L214-F218 HydrophobicContact CD1-CE2 3.42Å; L214-F218 VanDerWaalsContact CD1-CE2 3.42Å; L214-F218 HydrophobicContact CD1-CZ 4.07Å; L214-F218 HydrophobicContact CD2-CE2 4.44Å; L214-F218 HydrophobicContact CG-CD2 4.03Å; L214-F218 HydrophobicContact CG-CE2 3.78Å; L214-F218 WeakPolarHBondContact O-CD2 3.41Å; L214-F218 PolarHBondContact O-N 2.82Å; L214-F218 VanDerWaalsContact O-N 3.07Å; L214-F238 HydrophobicContact CB-CE1 4.17Å; L214-F238 HydrophobicContact CB-CE2 4.47Å; L214-F238 HydrophobicContact CB-CZ 3.86Å; L214-F238 HydrophobicContact CD1-CD1 3.78Å; L214-F238 HydrophobicContact CD1-CD2 4.38Å; L214-F238 HydrophobicContact CD1-CE1 3.74Å; L214-F238 HydrophobicContact CD1-CE2 4.33Å; L214-F238 HydrophobicContact CD1-CG 4.11Å; L214-F238 HydrophobicContact CD1-CZ 4.02Å; L214-F238 HydrophobicContact CG-CE1 4.49Å; L214-C264 HydrophobicContact CD1-CB 4.47Å; L214-C264 HydrophobicContact CD2-CB 3.91Å; L214-L267 HydrophobicContact CD2-CB 4.41Å; L214-L267 HydrophobicContact CD2-CD1 4.36Å; L214-I268 HydrophobicContact CD2-CG1 4.39Å; L214-V317 HydrophobicContact CB-CG1 4.13Å; L214-V317 HydrophobicContact CD2-CG1 3.54Å; L214-V317 HydrophobicContact CG-CG1 3.54Å |
| 215 | R | 94.8 | Very high | 91 | Very high | 35 Ų | 35 | 51.9 Ų | 51.9 | 13% | 0.132 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 171.7 | -79.6 | -177.1 | -161.2 | 102.4 | -6.2 | 112 | P211 N212 F217 F218 R219 N310 I311 G315 H316 V317 | P211-R215 WeakPolarHBondContact O-CG 3.48Å; P211-R215 PolarHBondContact O-N 2.84Å; P211-R215 PolarHBondContact O-NH1 3.07Å; N212-R215 PolarHBondContact O-N 2.97Å; N212-R215 PolarHBondContact OD1-NH1 2.99Å; R215-F217 VanDerWaalsContact C-N 3.27Å; R215-F217 PolarHBondContact O-N 3.22Å; R215-F218 PolarHBondContact O-N 3.06Å; R215-R219 WeakPolarHBondContact O-CB 3.31Å; R215-R219 PolarHBondContact O-N 2.62Å; R215-N310 PolarHBondContact NH1-OD1 2.69Å; R215-N310 PolarHBondContact NH2-O 3.29Å; R215-N310 PolarHBondContact NH2-OD1 2.86Å; R215-I311 VanDerWaalsContact NH2-CD1 3.31Å; R215-G315 PolarHBondContact NE-O 3.3Å; R215-G315 PolarHBondContact NH2-O 2.92Å; R215-H316 PolarHBondContact NE-O 3.42Å; R215-H316 VanDerWaalsContact NE-O 3.17Å; R215-V317 HydrophobicContact CG-CB 4.43Å; R215-V317 HydrophobicContact CG-CG1 4.37Å |
| 216 | E | 93.5 | Very high | 90 | Very high | 65 Ų | 65 | 59.6 Ų | 59.6 | 30% | 0.304 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -36.8 | -179.3 | -177.4 | 64.8 | 177.6 | 0 | 0 | 112 | N212 A213 R219 H220 | N212-E216 PolarHBondContact O-N 3.44Å; A213-E216 PolarHBondContact O-N 2.74Å; E216-R219 VanDerWaalsContact CD-NH2 3.3Å; E216-R219 PolarHBondContact O-N 3.46Å; E216-R219 IonicContact OE1-CZ 3.38Å; E216-R219 IonicContact OE1-NE 2.62Å; E216-R219 IonicContact OE1-NH2 3.81Å; E216-R219 PolarHBondContact OE1-NH2 3.22Å; E216-R219 IonicContact OE2-CZ 2.61Å; E216-R219 IonicContact OE2-NE 3.33Å; E216-R219 PolarHBondContact OE2-NE 3.27Å; E216-R219 IonicContact OE2-NH2 2.89Å; E216-R219 PolarHBondContact OE2-NH2 2.73Å; E216-H220 PolarHBondContact O-N 2.89Å; E216-H220 PolarHBondContact O-ND1 3.14Å; E216-H220 IonicContact OE1-CE1 3.52Å; E216-H220 PolarHBondContact OE1-CE1 3.38Å; E216-H220 IonicContact OE1-ND1 2.8Å |
| 217 | F | 94.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -51.1 | 174.2 | -177.6 | -108.5 | 0 | 0 | 0 | 112.2 | V200 H203 F205 A213 L214 R215 R219 H220 I221 L234 F238 | V200-F217 HydrophobicContact CG1-CE2 4.32Å; V200-F217 HydrophobicContact CG2-CE2 3.93Å; V200-F217 HydrophobicContact CG2-CZ 4.1Å; H203-F217 AromaticContact NE2-CD2 3.94Å; F205-F217 HydrophobicContact CE1-CB 4.33Å; F205-F217 HydrophobicContact CZ-CB 4.01Å; F205-F217 AromaticContact CZ-CD2 3.92Å; F205-F217 HydrophobicContact CZ-CD2 3.92Å; F205-F217 HydrophobicContact CZ-CG 4.34Å; A213-F217 WeakPolarHBondContact O-CB 3.36Å; A213-F217 PolarHBondContact O-N 3.19Å; L214-F217 PolarHBondContact O-N 2.99Å; R215-F217 VanDerWaalsContact C-N 3.27Å; R215-F217 PolarHBondContact O-N 3.22Å; F217-R219 VanDerWaalsContact C-N 3.29Å; F217-R219 PolarHBondContact O-N 3.35Å; F217-H220 PolarHBondContact O-N 3.3Å; F217-I221 HydrophobicContact CD2-CD1 4.03Å; F217-I221 HydrophobicContact CE1-CD1 4.45Å; F217-I221 HydrophobicContact CE2-CD1 3.39Å; F217-I221 HydrophobicContact CZ-CD1 3.64Å; F217-I221 PolarHBondContact O-N 3.42Å; F217-L234 HydrophobicContact CE1-CB 4.2Å; F217-L234 HydrophobicContact CZ-CD2 4.32Å; F217-F238 HydrophobicContact CB-CD2 3.68Å; F217-F238 HydrophobicContact CB-CE2 3.85Å; F217-F238 HydrophobicContact CD1-CB 4.06Å; F217-F238 AromaticContact CD1-CD2 3.83Å; F217-F238 HydrophobicContact CD1-CD2 3.83Å; F217-F238 HydrophobicContact CD1-CG 4.18Å; F217-F238 AromaticContact CD2-CD2 3.91Å; F217-F238 HydrophobicContact CD2-CD2 3.91Å; F217-F238 HydrophobicContact CE1-CB 3.82Å; F217-F238 HydrophobicContact CE1-CD2 4.41Å; F217-F238 HydrophobicContact CE1-CG 4.45Å; F217-F238 HydrophobicContact CE2-CB 4.42Å; F217-F238 HydrophobicContact CE2-CD2 4.45Å; F217-F238 HydrophobicContact CG-CB 4.45Å; F217-F238 AromaticContact CG-CD2 3.53Å; F217-F238 HydrophobicContact CG-CD2 3.53Å; F217-F238 HydrophobicContact CG-CE2 4.23Å; F217-F238 HydrophobicContact CG-CG 4.33Å; F217-F238 HydrophobicContact CZ-CB 4.01Å |
| 218 | F | 92.3 | Very high | 88.5 | Confident | 7 Ų | 7 | 54 Ų | 54 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.9 | -20.7 | 178.4 | -71.2 | -50.1 | 0 | 0 | 0 | 113.7 | L214 R215 H220 H222 A223 L231 L234 I235 I268 V317 A318 | L214-F218 HydrophobicContact CD1-CD2 3.95Å; L214-F218 HydrophobicContact CD1-CE2 3.42Å; L214-F218 VanDerWaalsContact CD1-CE2 3.42Å; L214-F218 HydrophobicContact CD1-CZ 4.07Å; L214-F218 HydrophobicContact CD2-CE2 4.44Å; L214-F218 HydrophobicContact CG-CD2 4.03Å; L214-F218 HydrophobicContact CG-CE2 3.78Å; L214-F218 WeakPolarHBondContact O-CD2 3.41Å; L214-F218 PolarHBondContact O-N 2.82Å; L214-F218 VanDerWaalsContact O-N 3.07Å; R215-F218 PolarHBondContact O-N 3.06Å; F218-H220 VanDerWaalsContact C-N 3.28Å; F218-H220 PolarHBondContact O-N 3.36Å; F218-H222 WeakPolarHBondContact O-CA 3.22Å; F218-H222 PolarHBondContact O-N 2.89Å; F218-A223 HydrophobicContact CB-CB 4.37Å; F218-A223 HydrophobicContact CD1-CB 3.68Å; F218-A223 HydrophobicContact CE1-CB 4.03Å; F218-A223 HydrophobicContact CG-CB 3.97Å; F218-L231 HydrophobicContact CE1-CD1 4.15Å; F218-L231 HydrophobicContact CZ-CD1 3.93Å; F218-L234 HydrophobicContact CE1-CD1 4.28Å; F218-I235 HydrophobicContact CZ-CG1 4.09Å; F218-I268 HydrophobicContact CE2-CD1 3.88Å; F218-I268 HydrophobicContact CE2-CG1 4.37Å; F218-I268 HydrophobicContact CZ-CD1 4.11Å; F218-V317 HydrophobicContact CD2-CG1 4.28Å; F218-A318 HydrophobicContact CD2-CB 3.94Å; F218-A318 HydrophobicContact CE2-CB 4.28Å; F218-A318 HydrophobicContact CG-CB 4.37Å |
| 219 | R | 89.1 | Confident | 88.1 | Confident | 131 Ų | 131 | 57.8 Ų | 57.8 | 49% | 0.494 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.2 | -32.6 | 171.6 | -169.4 | -175 | 63 | 70.2 | -9.4 | 112.2 | R215 E216 F217 | R215-R219 WeakPolarHBondContact O-CB 3.31Å; R215-R219 PolarHBondContact O-N 2.62Å; E216-R219 VanDerWaalsContact CD-NH2 3.3Å; E216-R219 PolarHBondContact O-N 3.46Å; E216-R219 IonicContact OE1-CZ 3.38Å; E216-R219 IonicContact OE1-NE 2.62Å; E216-R219 IonicContact OE1-NH2 3.81Å; E216-R219 PolarHBondContact OE1-NH2 3.22Å; E216-R219 IonicContact OE2-CZ 2.61Å; E216-R219 IonicContact OE2-NE 3.33Å; E216-R219 PolarHBondContact OE2-NE 3.27Å; E216-R219 IonicContact OE2-NH2 2.89Å; E216-R219 PolarHBondContact OE2-NH2 2.73Å; F217-R219 VanDerWaalsContact C-N 3.29Å; F217-R219 PolarHBondContact O-N 3.35Å |
| 220 | H | 87.1 | Confident | 87.7 | Confident | 56 Ų | 56 | 55.5 Ų | 55.5 | 26% | 0.259 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -90.7 | -46.7 | 179.4 | -71.4 | 103.2 | 0 | 0 | 0 | 113 | H203 E216 F217 F218 | H203-H220 AromaticContact NE2-ND1 3.97Å; E216-H220 PolarHBondContact O-N 2.89Å; E216-H220 PolarHBondContact O-ND1 3.14Å; E216-H220 IonicContact OE1-CE1 3.52Å; E216-H220 PolarHBondContact OE1-CE1 3.38Å; E216-H220 IonicContact OE1-ND1 2.8Å; F217-H220 PolarHBondContact O-N 3.3Å; F218-H220 VanDerWaalsContact C-N 3.28Å; F218-H220 PolarHBondContact O-N 3.36Å |
| 221 | I | 85.7 | Confident | 87.5 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -90.6 | -14 | -173.5 | -65 | 177.4 | 0 | 0 | 0 | 112.4 | L189 L196 L199 V200 F217 L234 | L189-I221 HydrophobicContact CD1-CG2 4.49Å; L196-I221 HydrophobicContact CD1-CD1 4.37Å; L199-I221 HydrophobicContact CD2-CD1 3.97Å; L199-I221 HydrophobicContact CD2-CG1 3.97Å; L199-I221 HydrophobicContact CG-CD1 4.34Å; V200-I221 HydrophobicContact CG2-CD1 4.44Å; F217-I221 HydrophobicContact CD2-CD1 4.03Å; F217-I221 HydrophobicContact CE1-CD1 4.45Å; F217-I221 HydrophobicContact CE2-CD1 3.39Å; F217-I221 HydrophobicContact CZ-CD1 3.64Å; F217-I221 PolarHBondContact O-N 3.42Å; I221-L234 HydrophobicContact CG2-CD1 4.06Å; I221-L234 HydrophobicContact CG2-CD2 3.79Å |
| 222 | H | 85.1 | Confident | 87.3 | Confident | 64 Ų | 64 | 60.6 Ų | 60.6 | 30% | 0.296 | 28% | 0.284 | S | S | . | . | trans | 60.3 | 126.4 | -173.2 | -64.1 | -91.2 | 0 | 0 | 0 | 113 | W182 R186 F218 | W182-H222 HydrophobicContact CB-CB 4.34Å; W182-H222 WeakPolarHBondContact CB-CD2 3.36Å; W182-H222 HydrophobicContact CD2-CB 4.25Å; W182-H222 HydrophobicContact CE3-CB 3.86Å; W182-H222 AromaticContact CG-CD2 3.92Å; W182-H222 AromaticContact CG-CG 3.93Å; R186-H222 VanDerWaalsContact CZ-O 3.31Å; R186-H222 PolarHBondContact NH1-O 3.1Å; R186-H222 PolarHBondContact NH2-O 3.24Å; F218-H222 WeakPolarHBondContact O-CA 3.22Å; F218-H222 PolarHBondContact O-N 2.89Å | ||
| 223 | A | 82.9 | Confident | 87.2 | Confident | 16 Ų | 16 | 59 Ų | 59 | 13% | 0.132 | 28% | 0.276 | C | S | . | . | trans | -71 | 141.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R186 F218 A318 | R186-A223 VanDerWaalsContact NH1-C 3.29Å; R186-A223 PolarHBondContact NH2-O 3.05Å; F218-A223 HydrophobicContact CB-CB 4.37Å; F218-A223 HydrophobicContact CD1-CB 3.68Å; F218-A223 HydrophobicContact CE1-CB 4.03Å; F218-A223 HydrophobicContact CG-CB 3.97Å; A223-A318 HydrophobicContact CB-CB 3.49Å; A223-A318 VanDerWaalsContact CB-CB 3.49Å | ||
| 224 | P | 82.4 | Confident | 87.1 | Confident | 24 Ų | 24 | 59 Ų | 59 | 16% | 0.156 | 28% | 0.276 | C | S | . | . | trans | -65.7 | 144.6 | 175.9 | 26.6 | -33.1 | 0 | 0 | 0 | 110.8 | R186 E226 Y230 L231 | R186-P224 VanDerWaalsContact CZ-CA 3.48Å; P224-E226 VanDerWaalsContact C-N 3.28Å; P224-E226 PolarHBondContact O-N 2.94Å; P224-Y230 HydrophobicContact CB-CD1 4.35Å; P224-Y230 HydrophobicContact CG-CD1 4.25Å; P224-L231 HydrophobicContact CG-CB 3.66Å; P224-L231 HydrophobicContact CG-CD1 4.1Å; P224-L231 HydrophobicContact CG-CG 4.31Å | ||
| 225 | E | 75.3 | Confident | 87 | Confident | 153 Ų | 153 | 59 Ų | 59 | 72% | 0.715 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -66.6 | -34.3 | 178.9 | -64.2 | 178.7 | -167.9 | 0 | 0 | 110.9 | W182 K183 | W182-E225 HydrophobicContact CH2-CG 4.46Å; W182-E225 WeakPolarHBondContact CH2-OE1 3.24Å; K183-E225 IonicContact NZ-OE1 3.69Å |
| 226 | E | 75.3 | Confident | 87.1 | Confident | 163 Ų | 163 | 60.1 Ų | 60.1 | 76% | 0.762 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -99.8 | 143.7 | 177.4 | -64.2 | -179 | -176.2 | 0 | 0 | 111.6 | P224 G228 | P224-E226 VanDerWaalsContact C-N 3.28Å; P224-E226 PolarHBondContact O-N 2.94Å; E226-G228 PolarHBondContact O-N 3.17Å |
| 227 | R | 72.4 | Confident | 87.2 | Confident | 181 Ų | 181 | 58.8 Ų | 58.8 | 68% | 0.683 | 28% | 0.28 | S | S | * | . | trans | -74.3 | 119 | 168.4 | -61 | -178.3 | -136.7 | -165.9 | 2.2 | 107.8 | ||||
| 228 | G | 81.4 | Confident | 87.3 | Confident | 34 Ų | 34 | 58.8 Ų | 58.8 | 35% | 0.351 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -163.1 | -174.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E226 Y230 L231 E232 | E226-G228 PolarHBondContact O-N 3.17Å; G228-Y230 PolarHBondContact O-N 3.44Å; G228-L231 WeakPolarHBondContact O-CB 3.46Å; G228-L231 PolarHBondContact O-N 3.39Å; G228-E232 PolarHBondContact O-N 3.32Å |
| 229 | E | 85.1 | Confident | 87.5 | Confident | 146 Ų | 146 | 58.5 Ų | 58.5 | 68% | 0.682 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -54.9 | -34.8 | -176.8 | -172.8 | -177.9 | 168.7 | 0 | 0 | 113 | L231 E232 T233 | E229-L231 PolarHBondContact O-N 3.09Å; E229-E232 WeakPolarHBondContact O-CB 3.49Å; E229-E232 PolarHBondContact O-N 3.03Å; E229-T233 PolarHBondContact O-N 3.22Å; E229-T233 PolarHBondContact O-OG1 3.5Å |
| 230 | Y | 86.7 | Confident | 87.9 | Confident | 18 Ų | 18 | 57.2 Ų | 57.2 | 7% | 0.071 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 177 | -172.1 | -112 | 0 | 0 | 0 | 112.4 | R186 L189 D190 R193 L196 P224 G228 T233 L234 | R186-Y230 HydrophobicContact CG-CD1 4.11Å; R186-Y230 HydrophobicContact CG-CE1 3.6Å; L189-Y230 WeakPolarHBondContact CB-OH 3.41Å; D190-Y230 HydrophobicContact CB-CD2 3.82Å; D190-Y230 HydrophobicContact CB-CE2 3.8Å; D190-Y230 WeakPolarHBondContact OD1-CD2 3.44Å; R193-Y230 VanDerWaalsContact NH1-CD2 3.28Å; L196-Y230 HydrophobicContact CD2-CE2 4.25Å; P224-Y230 HydrophobicContact CB-CD1 4.35Å; P224-Y230 HydrophobicContact CG-CD1 4.25Å; G228-Y230 PolarHBondContact O-N 3.44Å; Y230-T233 PolarHBondContact O-N 3.14Å; Y230-L234 HydrophobicContact CD1-CD1 3.93Å; Y230-L234 HydrophobicContact CD1-CG 4.25Å; Y230-L234 HydrophobicContact CE1-CD1 3.5Å; Y230-L234 HydrophobicContact CE1-CD2 4.28Å; Y230-L234 HydrophobicContact CE1-CG 3.9Å; Y230-L234 WeakPolarHBondContact O-CG 3.4Å; Y230-L234 PolarHBondContact O-N 3.12Å |
| 231 | L | 90.7 | Very high | 88.4 | Confident | 12 Ų | 12 | 57.6 Ų | 57.6 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 176.3 | -178.2 | 53.5 | 0 | 0 | 0 | 111.2 | F218 P224 G228 E229 T233 L234 I235 | F218-L231 HydrophobicContact CE1-CD1 4.15Å; F218-L231 HydrophobicContact CZ-CD1 3.93Å; P224-L231 HydrophobicContact CG-CB 3.66Å; P224-L231 HydrophobicContact CG-CD1 4.1Å; P224-L231 HydrophobicContact CG-CG 4.31Å; G228-L231 WeakPolarHBondContact O-CB 3.46Å; G228-L231 PolarHBondContact O-N 3.39Å; E229-L231 PolarHBondContact O-N 3.09Å; L231-T233 VanDerWaalsContact C-N 3.28Å; L231-T233 PolarHBondContact O-N 3.46Å; L231-L234 PolarHBondContact O-N 3.49Å; L231-I235 HydrophobicContact CD1-CD1 3.62Å; L231-I235 HydrophobicContact CD1-CG1 4Å; L231-I235 HydrophobicContact CD2-CD1 4.49Å; L231-I235 HydrophobicContact CG-CD1 3.74Å; L231-I235 HydrophobicContact CG-CG1 4.48Å; L231-I235 WeakPolarHBondContact O-CG1 3.46Å; L231-I235 PolarHBondContact O-N 2.61Å |
| 232 | E | 91.6 | Very high | 88.9 | Confident | 98 Ų | 98 | 57.6 Ų | 57.6 | 46% | 0.458 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 175.9 | -69.8 | 176.1 | -172.9 | 0 | 0 | 110.7 | G228 E229 I235 T236 Y265 | G228-E232 PolarHBondContact O-N 3.32Å; E229-E232 WeakPolarHBondContact O-CB 3.49Å; E229-E232 PolarHBondContact O-N 3.03Å; E232-I235 PolarHBondContact O-N 3Å; E232-T236 WeakPolarHBondContact O-CB 3.2Å; E232-T236 PolarHBondContact O-N 2.89Å; E232-T236 PolarHBondContact O-OG1 3.42Å; E232-Y265 WeakPolarHBondContact CA-OH 3.3Å; E232-Y265 WeakPolarHBondContact CG-OH 3.36Å; E232-Y265 PolarHBondContact N-OH 3.38Å |
| 233 | T | 92.5 | Very high | 89.4 | Confident | 31 Ų | 31 | 55.2 Ų | 55.2 | 19% | 0.19 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 177 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | E229 Y230 L231 T236 K237 | E229-T233 PolarHBondContact O-N 3.22Å; E229-T233 PolarHBondContact O-OG1 3.5Å; Y230-T233 PolarHBondContact O-N 3.14Å; L231-T233 VanDerWaalsContact C-N 3.28Å; L231-T233 PolarHBondContact O-N 3.46Å; T233-T236 PolarHBondContact O-N 2.97Å; T233-K237 HydrophobicContact CG2-CD 4.24Å; T233-K237 HydrophobicContact CG2-CG 4.45Å; T233-K237 WeakPolarHBondContact O-CG 3.32Å; T233-K237 PolarHBondContact O-N 3.35Å |
| 234 | L | 94 | Very high | 90 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -47 | 178.5 | -74.8 | -175.6 | 0 | 0 | 0 | 112.3 | L196 F217 F218 I221 Y230 L231 T236 K237 F238 | L196-L234 HydrophobicContact CD1-CD2 3.83Å; L196-L234 HydrophobicContact CD2-CD2 4.1Å; F217-L234 HydrophobicContact CE1-CB 4.2Å; F217-L234 HydrophobicContact CZ-CD2 4.32Å; F218-L234 HydrophobicContact CE1-CD1 4.28Å; I221-L234 HydrophobicContact CG2-CD1 4.06Å; I221-L234 HydrophobicContact CG2-CD2 3.79Å; Y230-L234 HydrophobicContact CD1-CD1 3.93Å; Y230-L234 HydrophobicContact CD1-CG 4.25Å; Y230-L234 HydrophobicContact CE1-CD1 3.5Å; Y230-L234 HydrophobicContact CE1-CD2 4.28Å; Y230-L234 HydrophobicContact CE1-CG 3.9Å; Y230-L234 WeakPolarHBondContact O-CG 3.4Å; Y230-L234 PolarHBondContact O-N 3.12Å; L231-L234 PolarHBondContact O-N 3.49Å; L234-T236 VanDerWaalsContact C-N 3.32Å; L234-T236 PolarHBondContact O-N 3.3Å; L234-K237 PolarHBondContact O-N 3.11Å; L234-F238 VanDerWaalsContact O-CB 3.29Å; L234-F238 WeakPolarHBondContact O-CB 3.39Å; L234-F238 PolarHBondContact O-N 2.97Å |
| 235 | I | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68 | -36.5 | -179.3 | -65 | 166.3 | 0 | 0 | 0 | 110.6 | F218 L231 E232 F238 S239 Y261 C264 Y265 I268 | F218-I235 HydrophobicContact CZ-CG1 4.09Å; L231-I235 HydrophobicContact CD1-CD1 3.62Å; L231-I235 HydrophobicContact CD1-CG1 4Å; L231-I235 HydrophobicContact CD2-CD1 4.49Å; L231-I235 HydrophobicContact CG-CD1 3.74Å; L231-I235 HydrophobicContact CG-CG1 4.48Å; L231-I235 WeakPolarHBondContact O-CG1 3.46Å; L231-I235 PolarHBondContact O-N 2.61Å; E232-I235 PolarHBondContact O-N 3Å; I235-F238 PolarHBondContact O-N 3.25Å; I235-S239 WeakPolarHBondContact O-CB 3.35Å; I235-S239 PolarHBondContact O-N 2.88Å; I235-S239 PolarHBondContact O-OG 2.68Å; I235-Y261 HydrophobicContact CB-CD2 4.16Å; I235-Y261 HydrophobicContact CB-CE2 4.14Å; I235-Y261 HydrophobicContact CG2-CD2 3.58Å; I235-Y261 HydrophobicContact CG2-CE2 3.96Å; I235-Y261 HydrophobicContact CG2-CG 4.27Å; I235-C264 HydrophobicContact CG2-CB 3.52Å; I235-Y265 HydrophobicContact CB-CE2 4.02Å; I235-Y265 HydrophobicContact CD1-CD1 4.37Å; I235-Y265 HydrophobicContact CD1-CD2 3.89Å; I235-Y265 HydrophobicContact CD1-CE1 3.97Å; I235-Y265 HydrophobicContact CD1-CE2 3.37Å; I235-Y265 HydrophobicContact CD1-CG 4.34Å; I235-Y265 VanDerWaalsContact CD1-CZ 3.44Å; I235-Y265 HydrophobicContact CG1-CE2 4.31Å; I235-Y265 HydrophobicContact CG2-CD2 4.03Å; I235-Y265 HydrophobicContact CG2-CE2 3.92Å; I235-I268 HydrophobicContact CD1-CD1 3.43Å; I235-I268 VanDerWaalsContact CD1-CD1 3.43Å; I235-I268 HydrophobicContact CG1-CD1 4.17Å |
| 236 | T | 95.7 | Very high | 91.7 | Very high | 58 Ų | 58 | 50.5 Ų | 50.5 | 36% | 0.356 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.2 | -56 | 173.5 | -58.8 | 0 | 0 | 0 | 0 | 110.4 | E232 T233 L234 F238 S239 H240 Y261 | E232-T236 WeakPolarHBondContact O-CB 3.2Å; E232-T236 PolarHBondContact O-N 2.89Å; E232-T236 PolarHBondContact O-OG1 3.42Å; T233-T236 PolarHBondContact O-N 2.97Å; L234-T236 VanDerWaalsContact C-N 3.32Å; L234-T236 PolarHBondContact O-N 3.3Å; T236-F238 VanDerWaalsContact C-N 3.32Å; T236-F238 PolarHBondContact O-N 3.36Å; T236-S239 PolarHBondContact O-N 3.25Å; T236-S239 VanDerWaalsContact O-N 3.12Å; T236-H240 PolarHBondContact O-CD2 3.49Å; T236-H240 VanDerWaalsContact O-CD2 3.3Å; T236-H240 PolarHBondContact O-N 3.12Å; T236-H240 VanDerWaalsContact O-N 3.12Å; T236-Y261 VanDerWaalsContact OG1-CE2 3.3Å; T236-Y261 WeakPolarHBondContact OG1-CE2 3.41Å |
| 237 | K | 95.8 | Very high | 92.6 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 17% | 0.165 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -42 | 179.7 | -66.8 | -176.1 | -172 | -62 | 0 | 111.8 | L196 D197 V200 T233 L234 S239 H240 R241 | L196-K237 HydrophobicContact CD2-CD 3.93Å; L196-K237 HydrophobicContact CG-CD 3.89Å; D197-K237 WeakPolarHBondContact OD1-CD 3.4Å; D197-K237 WeakPolarHBondContact OD1-CE 3.29Å; D197-K237 IonicContact OD1-NZ 3.53Å; D197-K237 PolarHBondContact OD1-NZ 2.8Å; D197-K237 IonicContact OD2-NZ 2.68Å; D197-K237 PolarHBondContact OD2-NZ 3.38Å; V200-K237 HydrophobicContact CG1-CB 4.18Å; V200-K237 HydrophobicContact CG2-CB 3.98Å; V200-K237 HydrophobicContact CG2-CD 4.24Å; T233-K237 HydrophobicContact CG2-CD 4.24Å; T233-K237 HydrophobicContact CG2-CG 4.45Å; T233-K237 WeakPolarHBondContact O-CG 3.32Å; T233-K237 PolarHBondContact O-N 3.35Å; L234-K237 PolarHBondContact O-N 3.11Å; K237-S239 PolarHBondContact O-N 3.15Å; K237-H240 PolarHBondContact O-N 2.88Å; K237-R241 WeakPolarHBondContact O-CB 3.44Å; K237-R241 PolarHBondContact O-N 2.87Å |
| 238 | F | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.3 | -46.5 | 174.1 | 171.8 | -94.6 | 0 | 0 | 0 | 112.2 | F205 L210 A213 L214 F217 L234 I235 T236 H240 R241 F242 C264 | F205-F238 HydrophobicContact CD1-CE2 4.48Å; F205-F238 HydrophobicContact CD2-CE2 4.19Å; F205-F238 HydrophobicContact CE1-CE2 4Å; F205-F238 AromaticContact CE2-CD2 3.73Å; F205-F238 HydrophobicContact CE2-CD2 3.73Å; F205-F238 AromaticContact CE2-CE2 3.68Å; F205-F238 HydrophobicContact CE2-CE2 3.68Å; F205-F238 AromaticContact CZ-CD2 3.73Å; F205-F238 HydrophobicContact CZ-CD2 3.73Å; F205-F238 AromaticContact CZ-CE2 3.57Å; F205-F238 HydrophobicContact CZ-CE2 3.57Å; L210-F238 HydrophobicContact CD1-CE1 3.76Å; L210-F238 HydrophobicContact CD1-CZ 4.13Å; A213-F238 HydrophobicContact CB-CE2 4.13Å; A213-F238 HydrophobicContact CB-CZ 3.91Å; L214-F238 HydrophobicContact CB-CE1 4.17Å; L214-F238 HydrophobicContact CB-CE2 4.47Å; L214-F238 HydrophobicContact CB-CZ 3.86Å; L214-F238 HydrophobicContact CD1-CD1 3.78Å; L214-F238 HydrophobicContact CD1-CD2 4.38Å; L214-F238 HydrophobicContact CD1-CE1 3.74Å; L214-F238 HydrophobicContact CD1-CE2 4.33Å; L214-F238 HydrophobicContact CD1-CG 4.11Å; L214-F238 HydrophobicContact CD1-CZ 4.02Å; L214-F238 HydrophobicContact CG-CE1 4.49Å; F217-F238 HydrophobicContact CB-CD2 3.68Å; F217-F238 HydrophobicContact CB-CE2 3.85Å; F217-F238 HydrophobicContact CD1-CB 4.06Å; F217-F238 AromaticContact CD1-CD2 3.83Å; F217-F238 HydrophobicContact CD1-CD2 3.83Å; F217-F238 HydrophobicContact CD1-CG 4.18Å; F217-F238 AromaticContact CD2-CD2 3.91Å; F217-F238 HydrophobicContact CD2-CD2 3.91Å; F217-F238 HydrophobicContact CE1-CB 3.82Å; F217-F238 HydrophobicContact CE1-CD2 4.41Å; F217-F238 HydrophobicContact CE1-CG 4.45Å; F217-F238 HydrophobicContact CE2-CB 4.42Å; F217-F238 HydrophobicContact CE2-CD2 4.45Å; F217-F238 HydrophobicContact CG-CB 4.45Å; F217-F238 AromaticContact CG-CD2 3.53Å; F217-F238 HydrophobicContact CG-CD2 3.53Å; F217-F238 HydrophobicContact CG-CE2 4.23Å; F217-F238 HydrophobicContact CG-CG 4.33Å; F217-F238 HydrophobicContact CZ-CB 4.01Å; L234-F238 VanDerWaalsContact O-CB 3.29Å; L234-F238 WeakPolarHBondContact O-CB 3.39Å; L234-F238 PolarHBondContact O-N 2.97Å; I235-F238 PolarHBondContact O-N 3.25Å; T236-F238 VanDerWaalsContact C-N 3.32Å; T236-F238 PolarHBondContact O-N 3.36Å; F238-H240 PolarHBondContact O-N 3.36Å; F238-R241 PolarHBondContact O-N 3.41Å; F238-R241 VanDerWaalsContact O-N 3.15Å; F238-F242 HydrophobicContact CE1-CB 4.24Å; F238-F242 HydrophobicContact CZ-CB 4.25Å; F238-F242 HydrophobicContact CZ-CD2 4.11Å; F238-F242 HydrophobicContact CZ-CG 4.41Å; F238-F242 WeakPolarHBondContact O-CB 3.4Å; F238-F242 PolarHBondContact O-N 2.8Å; F238-C264 VanDerWaalsContact CE1-SG 3.51Å |
| 239 | S | 96.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.7 | -43.4 | -176.3 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | I235 T236 K237 F242 C243 P257 Y261 | I235-S239 WeakPolarHBondContact O-CB 3.35Å; I235-S239 PolarHBondContact O-N 2.88Å; I235-S239 PolarHBondContact O-OG 2.68Å; T236-S239 PolarHBondContact O-N 3.25Å; T236-S239 VanDerWaalsContact O-N 3.12Å; K237-S239 PolarHBondContact O-N 3.15Å; S239-F242 PolarHBondContact O-N 3.25Å; S239-C243 PolarHBondContact O-N 3.46Å; S239-C243 VanDerWaalsContact O-N 3.1Å; S239-C243 PolarHBondContact O-SG 3.38Å; S239-P257 WeakPolarHBondContact CB-O 3.49Å; S239-Y261 WeakPolarHBondContact OG-CA 3.49Å; S239-Y261 PolarHBondContact OG-N 3.47Å |
| 240 | H | 96.8 | Very high | 94.2 | Very high | 103 Ų | 103 | 37.4 Ų | 37.4 | 48% | 0.477 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.1 | -46 | 172.2 | -81.3 | -85.8 | 0 | 0 | 0 | 111.8 | T236 K237 F238 C243 A244 | T236-H240 PolarHBondContact O-CD2 3.49Å; T236-H240 VanDerWaalsContact O-CD2 3.3Å; T236-H240 PolarHBondContact O-N 3.12Å; T236-H240 VanDerWaalsContact O-N 3.12Å; K237-H240 PolarHBondContact O-N 2.88Å; F238-H240 PolarHBondContact O-N 3.36Å; H240-C243 PolarHBondContact O-N 3.01Å; H240-A244 WeakPolarHBondContact O-CB 3.41Å; H240-A244 PolarHBondContact O-N 3.22Å |
| 241 | R | 97.3 | Very high | 94.4 | Very high | 65 Ų | 65 | 45.2 Ų | 45.2 | 25% | 0.245 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.4 | -42.8 | -179.9 | -178.5 | 59.2 | -176.4 | -176.4 | 0.8 | 112.6 | V200 T201 H203 F205 K237 F238 C243 A244 C245 | V200-R241 HydrophobicContact CG1-CB 3.67Å; V200-R241 HydrophobicContact CG1-CG 4.01Å; T201-R241 PolarHBondContact O-NH1 3.49Å; T201-R241 PolarHBondContact O-NH2 3.14Å; H203-R241 PolarHBondContact O-NE 2.97Å; H203-R241 PolarHBondContact O-NH2 3.35Å; F205-R241 HydrophobicContact CD2-CG 3.86Å; F205-R241 HydrophobicContact CE2-CB 4.24Å; F205-R241 HydrophobicContact CE2-CG 3.68Å; K237-R241 WeakPolarHBondContact O-CB 3.44Å; K237-R241 PolarHBondContact O-N 2.87Å; F238-R241 PolarHBondContact O-N 3.41Å; F238-R241 VanDerWaalsContact O-N 3.15Å; R241-C243 VanDerWaalsContact C-N 3.33Å; R241-C243 PolarHBondContact O-N 3.43Å; R241-A244 PolarHBondContact O-N 3.49Å; R241-C245 PolarHBondContact NE-SG 3.18Å; R241-C245 VanDerWaalsContact NE-SG 3.45Å; R241-C245 WeakPolarHBondContact O-CB 3.3Å; R241-C245 PolarHBondContact O-N 3.36Å; R241-C245 PolarHBondContact O-SG 3.4Å; R241-C245 VanDerWaalsContact O-SG 3.41Å |
| 242 | F | 97.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 177.8 | -175.5 | -94.7 | 0 | 0 | 0 | 111.2 | F205 L210 A213 F238 S239 C245 N246 L249 M250 V260 | F205-F242 HydrophobicContact CB-CD2 3.81Å; F205-F242 HydrophobicContact CB-CE2 4.29Å; F205-F242 HydrophobicContact CD2-CB 4.4Å; F205-F242 HydrophobicContact CD2-CD2 4.44Å; F205-F242 HydrophobicContact CG-CD2 4.26Å; L210-F242 HydrophobicContact CB-CE1 4.28Å; L210-F242 HydrophobicContact CB-CE2 4.41Å; L210-F242 HydrophobicContact CB-CZ 3.93Å; L210-F242 HydrophobicContact CD1-CD1 3.93Å; L210-F242 HydrophobicContact CD1-CD2 4.17Å; L210-F242 HydrophobicContact CD1-CE1 3.93Å; L210-F242 HydrophobicContact CD1-CE2 4.18Å; L210-F242 HydrophobicContact CD1-CG 4.06Å; L210-F242 HydrophobicContact CD1-CZ 4.07Å; A213-F242 HydrophobicContact CB-CD2 3.75Å; A213-F242 HydrophobicContact CB-CE2 3.69Å; F238-F242 HydrophobicContact CE1-CB 4.24Å; F238-F242 HydrophobicContact CZ-CB 4.25Å; F238-F242 HydrophobicContact CZ-CD2 4.11Å; F238-F242 HydrophobicContact CZ-CG 4.41Å; F238-F242 WeakPolarHBondContact O-CB 3.4Å; F238-F242 PolarHBondContact O-N 2.8Å; S239-F242 PolarHBondContact O-N 3.25Å; F242-C245 PolarHBondContact O-N 2.82Å; F242-N246 PolarHBondContact O-N 2.92Å; F242-N246 VanDerWaalsContact O-N 3.14Å; F242-N246 PolarHBondContact O-ND2 3.37Å; F242-L249 HydrophobicContact CZ-CD2 4.48Å; F242-M250 HydrophobicContact CD1-CE 4.27Å; F242-M250 HydrophobicContact CE1-CE 3.8Å; F242-V260 HydrophobicContact CD1-CG1 4.16Å |
| 243 | C | 95.6 | Very high | 94 | Very high | 15 Ų | 15 | 50 Ų | 50 | 10% | 0.101 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 175.5 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | S239 H240 R241 C245 N246 M250 P257 | S239-C243 PolarHBondContact O-N 3.46Å; S239-C243 VanDerWaalsContact O-N 3.1Å; S239-C243 PolarHBondContact O-SG 3.38Å; H240-C243 PolarHBondContact O-N 3.01Å; R241-C243 VanDerWaalsContact C-N 3.33Å; R241-C243 PolarHBondContact O-N 3.43Å; C243-C245 VanDerWaalsContact C-N 3.28Å; C243-C245 PolarHBondContact O-N 3.04Å; C243-N246 CarbonylContact O-C 3.3Å; C243-N246 PolarHBondContact O-N 3.43Å; C243-N246 VanDerWaalsContact O-N 3.07Å; C243-M250 HydrophobicContact CB-CG 3.9Å; C243-M250 HydrophobicContact CB-SD 4.27Å; C243-P257 HydrophobicContact CB-CG 4.21Å |
| 244 | A | 95.9 | Very high | 93.7 | Very high | 71 Ų | 71 | 51.1 Ų | 51.1 | 59% | 0.587 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.7 | -32.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H240 R241 | H240-A244 WeakPolarHBondContact O-CB 3.41Å; H240-A244 PolarHBondContact O-N 3.22Å; R241-A244 PolarHBondContact O-N 3.49Å |
| 245 | C | 96.9 | Very high | 93.4 | Very high | 9 Ų | 9 | 51.9 Ų | 51.9 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.1 | -27.3 | 173.4 | -74.3 | 0 | 0 | 0 | 0 | 112.9 | F205 R206 R241 F242 C243 P247 | F205-C245 HydrophobicContact CB-CB 4.08Å; R206-C245 HydrophobicContact CG-CB 4.28Å; R206-C245 WeakPolarHBondContact CG-O 3.26Å; R241-C245 PolarHBondContact NE-SG 3.18Å; R241-C245 VanDerWaalsContact NE-SG 3.45Å; R241-C245 WeakPolarHBondContact O-CB 3.3Å; R241-C245 PolarHBondContact O-N 3.36Å; R241-C245 PolarHBondContact O-SG 3.4Å; R241-C245 VanDerWaalsContact O-SG 3.41Å; F242-C245 PolarHBondContact O-N 2.82Å; C243-C245 VanDerWaalsContact C-N 3.28Å; C243-C245 PolarHBondContact O-N 3.04Å; C245-P247 VanDerWaalsContact C-CD 3.47Å |
| 246 | N | 95.4 | Very high | 93.3 | Very high | 13 Ų | 13 | 54.3 Ų | 54.3 | 7% | 0.07 | 30% | 0.295 | C | S | . | . | trans | -128.6 | 55.7 | -169.6 | -58.8 | -77.3 | 0 | 0 | 0 | 113.1 | F205 R206 N207 F242 C243 D248 L249 M250 | F205-N246 PolarHBondContact O-ND2 3.34Å; F205-N246 PolarHBondContact O-OD1 3.45Å; R206-N246 WeakPolarHBondContact CA-OD1 3.35Å; N207-N246 PolarHBondContact N-OD1 3.4Å; F242-N246 PolarHBondContact O-N 2.92Å; F242-N246 VanDerWaalsContact O-N 3.14Å; F242-N246 PolarHBondContact O-ND2 3.37Å; C243-N246 CarbonylContact O-C 3.3Å; C243-N246 PolarHBondContact O-N 3.43Å; C243-N246 VanDerWaalsContact O-N 3.07Å; N246-D248 PolarHBondContact O-N 3.43Å; N246-L249 HydrophobicContact CB-CB 4.09Å; N246-L249 HydrophobicContact CB-CD2 4.29Å; N246-L249 PolarHBondContact O-N 3.4Å; N246-M250 WeakPolarHBondContact O-CG 3.48Å; N246-M250 PolarHBondContact O-N 3.29Å; N246-M250 VanDerWaalsContact O-N 3.08Å | ||
| 247 | P | 94.2 | Very high | 93.3 | Very high | 75 Ų | 75 | 53.4 Ų | 53.4 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63 | -37.5 | -172.4 | 25.9 | -35.3 | 0 | 0 | 0 | 113.6 | C245 M250 R251 | C245-P247 VanDerWaalsContact C-CD 3.47Å; P247-M250 PolarHBondContact O-N 3.07Å; P247-R251 PolarHBondContact O-N 3.44Å |
| 248 | D | 92.6 | Very high | 93.2 | Very high | 98 Ų | 98 | 57.1 Ų | 57.1 | 52% | 0.524 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.2 | -42.5 | -179.7 | -59.7 | -50.5 | 0 | 0 | 0 | 111.7 | N246 M250 R251 E252 | N246-D248 PolarHBondContact O-N 3.43Å; D248-M250 VanDerWaalsContact C-N 3.33Å; D248-M250 PolarHBondContact O-N 3.42Å; D248-R251 PolarHBondContact O-N 3.1Å; D248-R251 IonicContact OD1-CZ 2.77Å; D248-R251 IonicContact OD1-NH1 3.94Å; D248-R251 IonicContact OD1-NH2 3.32Å; D248-R251 PolarHBondContact OD1-NH2 3.28Å; D248-E252 WeakPolarHBondContact O-CB 3.32Å; D248-E252 PolarHBondContact O-N 3.16Å |
| 249 | L | 89.6 | Confident | 93 | Very high | 60 Ų | 60 | 57.7 Ų | 57.7 | 31% | 0.314 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 174.8 | -178.7 | 67.1 | 0 | 0 | 0 | 111.3 | F242 N246 R251 E252 L253 | F242-L249 HydrophobicContact CZ-CD2 4.48Å; N246-L249 HydrophobicContact CB-CB 4.09Å; N246-L249 HydrophobicContact CB-CD2 4.29Å; N246-L249 PolarHBondContact O-N 3.4Å; L249-R251 VanDerWaalsContact C-N 3.31Å; L249-R251 PolarHBondContact O-N 3.41Å; L249-E252 PolarHBondContact O-N 2.73Å; L249-L253 HydrophobicContact CD1-CD1 3.6Å; L249-L253 HydrophobicContact CD1-CG 4.02Å; L249-L253 HydrophobicContact CG-CD1 3.9Å; L249-L253 HydrophobicContact CG-CG 4.48Å; L249-L253 WeakPolarHBondContact O-CB 3.42Å; L249-L253 WeakPolarHBondContact O-CG 3.41Å; L249-L253 PolarHBondContact O-N 2.76Å |
| 250 | M | 91.1 | Very high | 93 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 178.2 | -65.3 | -52.1 | 93.4 | 0 | 0 | 111.3 | F242 C243 N246 P247 D248 G254 L255 V260 | F242-M250 HydrophobicContact CD1-CE 4.27Å; F242-M250 HydrophobicContact CE1-CE 3.8Å; C243-M250 HydrophobicContact CB-CG 3.9Å; C243-M250 HydrophobicContact CB-SD 4.27Å; N246-M250 WeakPolarHBondContact O-CG 3.48Å; N246-M250 PolarHBondContact O-N 3.29Å; N246-M250 VanDerWaalsContact O-N 3.08Å; P247-M250 PolarHBondContact O-N 3.07Å; D248-M250 VanDerWaalsContact C-N 3.33Å; D248-M250 PolarHBondContact O-N 3.42Å; M250-G254 CarbonylContact O-C 3.45Å; M250-G254 WeakPolarHBondContact O-CA 3.49Å; M250-G254 PolarHBondContact O-N 3.01Å; M250-L255 HydrophobicContact CE-CD1 4.43Å; M250-L255 PolarHBondContact O-N 3.2Å; M250-L255 HydrophobicContact SD-CB 3.88Å; M250-V260 HydrophobicContact SD-CG2 3.93Å |
| 251 | R | 89.6 | Confident | 92.9 | Very high | 182 Ų | 182 | 55.6 Ų | 55.6 | 69% | 0.687 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -68.7 | -42 | 175.8 | -176.3 | 175.3 | 61.1 | -133.2 | -9.9 | 112.3 | P247 D248 L249 G254 | P247-R251 PolarHBondContact O-N 3.44Å; D248-R251 PolarHBondContact O-N 3.1Å; D248-R251 IonicContact OD1-CZ 2.77Å; D248-R251 IonicContact OD1-NH1 3.94Å; D248-R251 IonicContact OD1-NH2 3.32Å; D248-R251 PolarHBondContact OD1-NH2 3.28Å; L249-R251 VanDerWaalsContact C-N 3.31Å; L249-R251 PolarHBondContact O-N 3.41Å; R251-G254 PolarHBondContact O-N 3.19Å |
| 252 | E | 88.1 | Confident | 92.8 | Very high | 162 Ų | 162 | 54.5 Ų | 54.5 | 76% | 0.757 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.2 | -44.4 | 178.5 | -174.4 | -177 | 161.8 | 0 | 0 | 111.9 | D248 L249 | D248-E252 WeakPolarHBondContact O-CB 3.32Å; D248-E252 PolarHBondContact O-N 3.16Å; L249-E252 PolarHBondContact O-N 2.73Å |
| 253 | L | 85.8 | Confident | 92.7 | Very high | 48 Ų | 48 | 54.3 Ų | 54.3 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -85.6 | -5.8 | -179.5 | -62.8 | 179 | 0 | 0 | 0 | 113.7 | L249 L255 F303 | L249-L253 HydrophobicContact CD1-CD1 3.6Å; L249-L253 HydrophobicContact CD1-CG 4.02Å; L249-L253 HydrophobicContact CG-CD1 3.9Å; L249-L253 HydrophobicContact CG-CG 4.48Å; L249-L253 WeakPolarHBondContact O-CB 3.42Å; L249-L253 WeakPolarHBondContact O-CG 3.41Å; L249-L253 PolarHBondContact O-N 2.76Å; L253-L255 HydrophobicContact CB-CD1 3.87Å; L253-L255 HydrophobicContact CB-CG 3.79Å; L253-L255 HydrophobicContact CD1-CD1 3.86Å; L253-L255 PolarHBondContact O-N 3.05Å; L253-F303 HydrophobicContact CD1-CD2 4.1Å; L253-F303 HydrophobicContact CD1-CE1 4.5Å; L253-F303 HydrophobicContact CD1-CE2 3.74Å; L253-F303 HydrophobicContact CD1-CZ 3.97Å |
| 254 | G | 86.6 | Confident | 92.7 | Very high | 56 Ų | 56 | 53.6 Ų | 53.6 | 58% | 0.577 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 30 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | M250 R251 | M250-G254 CarbonylContact O-C 3.45Å; M250-G254 WeakPolarHBondContact O-CA 3.49Å; M250-G254 PolarHBondContact O-N 3.01Å; R251-G254 PolarHBondContact O-N 3.19Å |
| 255 | L | 89 | Confident | 92.5 | Very high | 15 Ų | 15 | 52.7 Ų | 52.7 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | trans | -91.2 | 132.7 | -176.1 | -68 | 176.3 | 0 | 0 | 0 | 111.5 | M250 L253 A259 V260 L263 I299 F303 | M250-L255 HydrophobicContact CE-CD1 4.43Å; M250-L255 PolarHBondContact O-N 3.2Å; M250-L255 HydrophobicContact SD-CB 3.88Å; L253-L255 HydrophobicContact CB-CD1 3.87Å; L253-L255 HydrophobicContact CB-CG 3.79Å; L253-L255 HydrophobicContact CD1-CD1 3.86Å; L253-L255 PolarHBondContact O-N 3.05Å; L255-A259 HydrophobicContact CD2-CB 3.99Å; L255-V260 HydrophobicContact CB-CG2 4.41Å; L255-L263 HydrophobicContact CD1-CD1 4.36Å; L255-L263 HydrophobicContact CD2-CD1 4.46Å; L255-I299 HydrophobicContact CD2-CD1 3.59Å; L255-I299 HydrophobicContact CD2-CG1 3.69Å; L255-F303 HydrophobicContact CD1-CE1 4.22Å; L255-F303 HydrophobicContact CD1-CZ 4.44Å | ||
| 256 | S | 92.5 | Very high | 92.4 | Very high | 51 Ų | 51 | 53.2 Ų | 53.2 | 36% | 0.357 | 29% | 0.285 | S | S | . | . | trans | -93.8 | 161.9 | 168.4 | 67.4 | 0 | 0 | 0 | 0 | 111.2 | D258 A259 V260 | S256-D258 PolarHBondContact O-N 2.95Å; S256-A259 WeakPolarHBondContact O-CB 3.44Å; S256-A259 PolarHBondContact O-N 3.5Å; S256-A259 PolarHBondContact OG-N 3.36Å; S256-V260 PolarHBondContact O-N 3.38Å | ||
| 257 | P | 94.8 | Very high | 92.4 | Very high | 39 Ų | 39 | 52.6 Ų | 52.6 | 25% | 0.253 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -52 | -37.5 | 170.2 | -27.7 | 35.7 | 0 | 0 | 0 | 113.4 | S239 C243 V260 Y261 | S239-P257 WeakPolarHBondContact CB-O 3.49Å; C243-P257 HydrophobicContact CB-CG 4.21Å; P257-V260 PolarHBondContact O-N 3.47Å; P257-Y261 WeakPolarHBondContact O-CB 3.45Å; P257-Y261 PolarHBondContact O-N 3.25Å |
| 258 | D | 93.8 | Very high | 92.4 | Very high | 116 Ų | 116 | 49.6 Ų | 49.6 | 62% | 0.62 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -65.7 | -39 | 176.4 | -58.8 | -30.6 | 0 | 0 | 0 | 112.4 | S256 Y261 V262 | S256-D258 PolarHBondContact O-N 2.95Å; D258-Y261 WeakPolarHBondContact O-CB 3.45Å; D258-Y261 PolarHBondContact O-N 3.35Å; D258-V262 WeakPolarHBondContact O-CG2 3.36Å; D258-V262 PolarHBondContact O-N 2.87Å; D258-V262 VanDerWaalsContact O-N 3.08Å |
| 259 | A | 93.9 | Very high | 92.3 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 11% | 0.107 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L255 S256 Y261 V262 L263 | L255-A259 HydrophobicContact CD2-CB 3.99Å; S256-A259 WeakPolarHBondContact O-CB 3.44Å; S256-A259 PolarHBondContact O-N 3.5Å; S256-A259 PolarHBondContact OG-N 3.36Å; A259-Y261 VanDerWaalsContact C-N 3.31Å; A259-Y261 PolarHBondContact O-N 3.29Å; A259-V262 PolarHBondContact O-N 2.89Å; A259-L263 VanDerWaalsContact O-CG 3.32Å; A259-L263 WeakPolarHBondContact O-CG 3.38Å; A259-L263 PolarHBondContact O-N 3.42Å |
| 260 | V | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.5 | -39.9 | 175.3 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | L210 F242 M250 L255 S256 P257 L263 C264 | L210-V260 HydrophobicContact CD1-CG1 3.84Å; F242-V260 HydrophobicContact CD1-CG1 4.16Å; M250-V260 HydrophobicContact SD-CG2 3.93Å; L255-V260 HydrophobicContact CB-CG2 4.41Å; S256-V260 PolarHBondContact O-N 3.38Å; P257-V260 PolarHBondContact O-N 3.47Å; V260-L263 WeakPolarHBondContact O-CB 3.29Å; V260-L263 PolarHBondContact O-N 2.8Å; V260-C264 PolarHBondContact O-N 2.95Å; V260-C264 PolarHBondContact O-SG 2.81Å |
| 261 | Y | 95.9 | Very high | 92.6 | Very high | 60 Ų | 60 | 45.3 Ų | 45.3 | 24% | 0.235 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.4 | -50.3 | 174.3 | 172.9 | -88.9 | 0 | 0 | 0 | 111.9 | I235 T236 S239 P257 D258 A259 L263 C264 Y265 | I235-Y261 HydrophobicContact CB-CD2 4.16Å; I235-Y261 HydrophobicContact CB-CE2 4.14Å; I235-Y261 HydrophobicContact CG2-CD2 3.58Å; I235-Y261 HydrophobicContact CG2-CE2 3.96Å; I235-Y261 HydrophobicContact CG2-CG 4.27Å; T236-Y261 VanDerWaalsContact OG1-CE2 3.3Å; T236-Y261 WeakPolarHBondContact OG1-CE2 3.41Å; S239-Y261 WeakPolarHBondContact OG-CA 3.49Å; S239-Y261 PolarHBondContact OG-N 3.47Å; P257-Y261 WeakPolarHBondContact O-CB 3.45Å; P257-Y261 PolarHBondContact O-N 3.25Å; D258-Y261 WeakPolarHBondContact O-CB 3.45Å; D258-Y261 PolarHBondContact O-N 3.35Å; A259-Y261 VanDerWaalsContact C-N 3.31Å; A259-Y261 PolarHBondContact O-N 3.29Å; Y261-L263 VanDerWaalsContact C-N 3.31Å; Y261-L263 PolarHBondContact O-N 3.29Å; Y261-C264 PolarHBondContact O-N 2.94Å; Y261-Y265 HydrophobicContact CD1-CD2 4.14Å; Y261-Y265 HydrophobicContact CD1-CE2 4.46Å; Y261-Y265 HydrophobicContact CD2-CD2 4.43Å; Y261-Y265 HydrophobicContact CD2-CE2 4.22Å; Y261-Y265 AromaticContact CE1-CD2 3.72Å; Y261-Y265 HydrophobicContact CE1-CD2 3.72Å; Y261-Y265 AromaticContact CE1-CE2 3.75Å; Y261-Y265 HydrophobicContact CE1-CE2 3.75Å; Y261-Y265 HydrophobicContact CE2-CD2 4.04Å; Y261-Y265 AromaticContact CE2-CE2 3.47Å; Y261-Y265 HydrophobicContact CE2-CE2 3.47Å; Y261-Y265 VanDerWaalsContact CE2-CE2 3.47Å; Y261-Y265 HydrophobicContact CG-CD2 4.47Å; Y261-Y265 AromaticContact CZ-CD2 3.67Å; Y261-Y265 AromaticContact CZ-CE2 3.19Å; Y261-Y265 PolarHBondContact O-N 3.3Å; Y261-Y265 VanDerWaalsContact O-N 3.1Å; Y261-Y265 WeakPolarHBondContact OH-CE2 3.42Å |
| 262 | V | 94.8 | Very high | 92.6 | Very high | 41 Ų | 41 | 39.3 Ų | 39.3 | 25% | 0.248 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -38.8 | 177.4 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | D258 A259 Y265 S266 A295 A296 | D258-V262 WeakPolarHBondContact O-CG2 3.36Å; D258-V262 PolarHBondContact O-N 2.87Å; D258-V262 VanDerWaalsContact O-N 3.08Å; A259-V262 PolarHBondContact O-N 2.89Å; V262-Y265 PolarHBondContact O-N 3.48Å; V262-S266 WeakPolarHBondContact O-CB 3.42Å; V262-S266 PolarHBondContact O-N 3.2Å; V262-S266 PolarHBondContact O-OG 3.28Å; V262-A295 HydrophobicContact CG1-CB 3.55Å; V262-A296 HydrophobicContact CB-CB 4.4Å; V262-A296 HydrophobicContact CG1-CB 4.07Å |
| 263 | L | 95.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 174.6 | -71.5 | 178 | 0 | 0 | 0 | 111.5 | L210 L255 A259 V260 Y261 Y265 S266 L267 T292 I299 F303 L307 | L210-L263 HydrophobicContact CD2-CB 3.84Å; L210-L263 HydrophobicContact CD2-CD1 3.91Å; L255-L263 HydrophobicContact CD1-CD1 4.36Å; L255-L263 HydrophobicContact CD2-CD1 4.46Å; A259-L263 VanDerWaalsContact O-CG 3.32Å; A259-L263 WeakPolarHBondContact O-CG 3.38Å; A259-L263 PolarHBondContact O-N 3.42Å; V260-L263 WeakPolarHBondContact O-CB 3.29Å; V260-L263 PolarHBondContact O-N 2.8Å; Y261-L263 VanDerWaalsContact C-N 3.31Å; Y261-L263 PolarHBondContact O-N 3.29Å; L263-Y265 VanDerWaalsContact C-N 3.33Å; L263-Y265 PolarHBondContact O-N 2.85Å; L263-S266 WeakPolarHBondContact O-CB 3.48Å; L263-S266 PolarHBondContact O-N 2.87Å; L263-S266 VanDerWaalsContact O-N 3.13Å; L263-L267 VanDerWaalsContact O-CG 3.29Å; L263-L267 WeakPolarHBondContact O-CG 3.22Å; L263-L267 PolarHBondContact O-N 2.96Å; L263-T292 HydrophobicContact CD2-CG2 3.43Å; L263-T292 VanDerWaalsContact CD2-CG2 3.43Å; L263-I299 HydrophobicContact CD1-CD1 3.97Å; L263-I299 HydrophobicContact CD2-CD1 3.79Å; L263-I299 HydrophobicContact CG-CD1 4.01Å; L263-F303 HydrophobicContact CD1-CE1 4.05Å; L263-L307 HydrophobicContact CD1-CD1 4.39Å; L263-L307 HydrophobicContact CD2-CD1 3.98Å |
| 264 | C | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.3 | -44.7 | 178.4 | -67.1 | 0 | 0 | 0 | 0 | 111.7 | L214 I235 F238 V260 Y261 S266 L267 I268 | L214-C264 HydrophobicContact CD1-CB 4.47Å; L214-C264 HydrophobicContact CD2-CB 3.91Å; I235-C264 HydrophobicContact CG2-CB 3.52Å; F238-C264 VanDerWaalsContact CE1-SG 3.51Å; V260-C264 PolarHBondContact O-N 2.95Å; V260-C264 PolarHBondContact O-SG 2.81Å; Y261-C264 PolarHBondContact O-N 2.94Å; C264-S266 VanDerWaalsContact C-N 3.34Å; C264-S266 PolarHBondContact O-N 3.29Å; C264-L267 PolarHBondContact O-N 3.08Å; C264-I268 WeakPolarHBondContact O-CG1 3.43Å; C264-I268 PolarHBondContact O-N 2.71Å |
| 265 | Y | 92.6 | Very high | 93.3 | Very high | 52 Ų | 52 | 33.3 Ų | 33.3 | 20% | 0.204 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 173.5 | -93.9 | -78.2 | 0 | 0 | 0 | 112.6 | E232 I235 Y261 V262 L263 L267 I268 L269 | E232-Y265 WeakPolarHBondContact CA-OH 3.3Å; E232-Y265 WeakPolarHBondContact CG-OH 3.36Å; E232-Y265 PolarHBondContact N-OH 3.38Å; I235-Y265 HydrophobicContact CB-CE2 4.02Å; I235-Y265 HydrophobicContact CD1-CD1 4.37Å; I235-Y265 HydrophobicContact CD1-CD2 3.89Å; I235-Y265 HydrophobicContact CD1-CE1 3.97Å; I235-Y265 HydrophobicContact CD1-CE2 3.37Å; I235-Y265 HydrophobicContact CD1-CG 4.34Å; I235-Y265 VanDerWaalsContact CD1-CZ 3.44Å; I235-Y265 HydrophobicContact CG1-CE2 4.31Å; I235-Y265 HydrophobicContact CG2-CD2 4.03Å; I235-Y265 HydrophobicContact CG2-CE2 3.92Å; Y261-Y265 HydrophobicContact CD1-CD2 4.14Å; Y261-Y265 HydrophobicContact CD1-CE2 4.46Å; Y261-Y265 HydrophobicContact CD2-CD2 4.43Å; Y261-Y265 HydrophobicContact CD2-CE2 4.22Å; Y261-Y265 AromaticContact CE1-CD2 3.72Å; Y261-Y265 HydrophobicContact CE1-CD2 3.72Å; Y261-Y265 AromaticContact CE1-CE2 3.75Å; Y261-Y265 HydrophobicContact CE1-CE2 3.75Å; Y261-Y265 HydrophobicContact CE2-CD2 4.04Å; Y261-Y265 AromaticContact CE2-CE2 3.47Å; Y261-Y265 HydrophobicContact CE2-CE2 3.47Å; Y261-Y265 VanDerWaalsContact CE2-CE2 3.47Å; Y261-Y265 HydrophobicContact CG-CD2 4.47Å; Y261-Y265 AromaticContact CZ-CD2 3.67Å; Y261-Y265 AromaticContact CZ-CE2 3.19Å; Y261-Y265 PolarHBondContact O-N 3.3Å; Y261-Y265 VanDerWaalsContact O-N 3.1Å; Y261-Y265 WeakPolarHBondContact OH-CE2 3.42Å; V262-Y265 PolarHBondContact O-N 3.48Å; L263-Y265 VanDerWaalsContact C-N 3.33Å; L263-Y265 PolarHBondContact O-N 2.85Å; Y265-L267 VanDerWaalsContact C-N 3.26Å; Y265-L267 PolarHBondContact O-N 2.94Å; Y265-I268 PolarHBondContact O-N 2.93Å; Y265-L269 WeakPolarHBondContact O-CB 3.42Å; Y265-L269 VanDerWaalsContact O-CG 3.32Å; Y265-L269 WeakPolarHBondContact O-CG 3.47Å; Y265-L269 PolarHBondContact O-N 3.36Å |
| 266 | S | 94.8 | Very high | 93.3 | Very high | 19 Ų | 19 | 33.9 Ų | 33.9 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.2 | -40.6 | 176.8 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | V262 L263 C264 L270 | V262-S266 WeakPolarHBondContact O-CB 3.42Å; V262-S266 PolarHBondContact O-N 3.2Å; V262-S266 PolarHBondContact O-OG 3.28Å; L263-S266 WeakPolarHBondContact O-CB 3.48Å; L263-S266 PolarHBondContact O-N 2.87Å; L263-S266 VanDerWaalsContact O-N 3.13Å; C264-S266 VanDerWaalsContact C-N 3.34Å; C264-S266 PolarHBondContact O-N 3.29Å; S266-L270 VanDerWaalsContact O-CB 3.3Å; S266-L270 WeakPolarHBondContact O-CB 3.46Å; S266-L270 PolarHBondContact O-N 3.3Å |
| 267 | L | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.3 | -41.9 | 178 | -68.3 | 170.7 | 0 | 0 | 0 | 112.7 | L210 P211 L214 L263 C264 Y265 L270 S271 F288 L307 I311 | L210-L267 HydrophobicContact CD2-CD1 4.18Å; L210-L267 HydrophobicContact CG-CD1 4.19Å; P211-L267 HydrophobicContact CB-CD1 4.27Å; P211-L267 HydrophobicContact CG-CD1 3.94Å; P211-L267 HydrophobicContact CG-CD2 4.3Å; L214-L267 HydrophobicContact CD2-CB 4.41Å; L214-L267 HydrophobicContact CD2-CD1 4.36Å; L263-L267 VanDerWaalsContact O-CG 3.29Å; L263-L267 WeakPolarHBondContact O-CG 3.22Å; L263-L267 PolarHBondContact O-N 2.96Å; C264-L267 PolarHBondContact O-N 3.08Å; Y265-L267 VanDerWaalsContact C-N 3.26Å; Y265-L267 PolarHBondContact O-N 2.94Å; L267-L270 PolarHBondContact O-N 3.44Å; L267-S271 WeakPolarHBondContact O-CB 3.32Å; L267-S271 PolarHBondContact O-N 3.36Å; L267-F288 HydrophobicContact CD2-CZ 4.15Å; L267-L307 HydrophobicContact CD1-CD2 4.48Å; L267-L307 HydrophobicContact CD2-CB 3.82Å; L267-I311 HydrophobicContact CD2-CD1 4.04Å; L267-I311 HydrophobicContact CD2-CG1 3.67Å |
| 268 | I | 92.4 | Very high | 93 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 177.1 | -66.6 | 164.4 | 0 | 0 | 0 | 110.5 | L214 F218 I235 C264 Y265 L270 S271 I272 V317 | L214-I268 HydrophobicContact CD2-CG1 4.39Å; F218-I268 HydrophobicContact CE2-CD1 3.88Å; F218-I268 HydrophobicContact CE2-CG1 4.37Å; F218-I268 HydrophobicContact CZ-CD1 4.11Å; I235-I268 HydrophobicContact CD1-CD1 3.43Å; I235-I268 VanDerWaalsContact CD1-CD1 3.43Å; I235-I268 HydrophobicContact CG1-CD1 4.17Å; C264-I268 WeakPolarHBondContact O-CG1 3.43Å; C264-I268 PolarHBondContact O-N 2.71Å; Y265-I268 PolarHBondContact O-N 2.93Å; I268-L270 VanDerWaalsContact C-N 3.35Å; I268-S271 PolarHBondContact O-N 3.3Å; I268-S271 PolarHBondContact O-OG 3.43Å; I268-I272 HydrophobicContact CG2-CD1 3.95Å; I268-I272 VanDerWaalsContact O-CG1 3.3Å; I268-I272 WeakPolarHBondContact O-CG1 3.4Å; I268-I272 PolarHBondContact O-N 2.68Å; I268-V317 HydrophobicContact CG1-CG1 4.38Å |
| 269 | L | 91.1 | Very high | 92.9 | Very high | 82 Ų | 82 | 39.6 Ų | 39.6 | 43% | 0.429 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.2 | -41.5 | 176.4 | -69.5 | 175.9 | 0 | 0 | 0 | 111.6 | Y265 I272 D273 | Y265-L269 WeakPolarHBondContact O-CB 3.42Å; Y265-L269 VanDerWaalsContact O-CG 3.32Å; Y265-L269 WeakPolarHBondContact O-CG 3.47Å; Y265-L269 PolarHBondContact O-N 3.36Å; L269-I272 PolarHBondContact O-N 3.48Å; L269-D273 WeakPolarHBondContact O-CB 3.41Å; L269-D273 PolarHBondContact O-N 2.95Å |
| 270 | L | 94.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 174.1 | 179 | 65.8 | 0 | 0 | 0 | 111.2 | S266 L267 I268 I272 D273 L274 M283 F288 Y308 I311 | S266-L270 VanDerWaalsContact O-CB 3.3Å; S266-L270 WeakPolarHBondContact O-CB 3.46Å; S266-L270 PolarHBondContact O-N 3.3Å; L267-L270 PolarHBondContact O-N 3.44Å; I268-L270 VanDerWaalsContact C-N 3.35Å; L270-I272 VanDerWaalsContact C-N 3.35Å; L270-I272 PolarHBondContact O-N 3.25Å; L270-D273 PolarHBondContact O-N 3.01Å; L270-L274 HydrophobicContact CD1-CD1 3.88Å; L270-L274 HydrophobicContact CD1-CD2 4.39Å; L270-L274 HydrophobicContact CD1-CG 3.91Å; L270-L274 HydrophobicContact CD2-CD1 4.48Å; L270-L274 HydrophobicContact CG-CD1 3.92Å; L270-L274 HydrophobicContact CG-CG 4.27Å; L270-L274 WeakPolarHBondContact O-CB 3.3Å; L270-L274 VanDerWaalsContact O-CG 3.31Å; L270-L274 WeakPolarHBondContact O-CG 3.33Å; L270-L274 PolarHBondContact O-N 2.94Å; L270-M283 HydrophobicContact CD1-CB 4.28Å; L270-M283 HydrophobicContact CD1-SD 4.4Å; L270-F288 HydrophobicContact CB-CD2 4.08Å; L270-F288 HydrophobicContact CB-CE2 3.84Å; L270-F288 HydrophobicContact CD1-CD2 4.06Å; L270-F288 HydrophobicContact CD2-CD1 4.38Å; L270-F288 HydrophobicContact CD2-CD2 3.82Å; L270-F288 HydrophobicContact CD2-CE1 4.29Å; L270-F288 HydrophobicContact CD2-CE2 3.74Å; L270-F288 HydrophobicContact CD2-CG 4.14Å; L270-F288 HydrophobicContact CD2-CZ 3.98Å; L270-F288 HydrophobicContact CG-CD2 4.2Å; L270-F288 HydrophobicContact CG-CE2 4.26Å; L270-Y308 HydrophobicContact CD1-CD2 3.8Å; L270-Y308 HydrophobicContact CD1-CE2 3.64Å; L270-Y308 HydrophobicContact CD2-CD2 3.56Å; L270-Y308 HydrophobicContact CD2-CE2 4.21Å; L270-Y308 HydrophobicContact CD2-CG 4.22Å; L270-Y308 HydrophobicContact CG-CD2 4.32Å; L270-I311 HydrophobicContact CD2-CB 3.9Å; L270-I311 HydrophobicContact CD2-CG1 4.02Å; L270-I311 HydrophobicContact CD2-CG2 4.18Å; L270-I311 HydrophobicContact CG-CB 4.44Å; L270-I311 HydrophobicContact CG-CG2 4.17Å |
| 271 | S | 92.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 180 | 69.5 | 0 | 0 | 0 | 0 | 111.6 | L267 I268 L274 T275 | L267-S271 WeakPolarHBondContact O-CB 3.32Å; L267-S271 PolarHBondContact O-N 3.36Å; I268-S271 PolarHBondContact O-N 3.3Å; I268-S271 PolarHBondContact O-OG 3.43Å; S271-L274 PolarHBondContact O-N 3.23Å; S271-T275 WeakPolarHBondContact O-CG2 3.48Å; S271-T275 PolarHBondContact O-N 3.05Å; S271-T275 PolarHBondContact O-OG1 3.46Å |
| 272 | I | 90.1 | Very high | 92.6 | Very high | 56 Ų | 56 | 56.2 Ų | 56.2 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 175.6 | -66.1 | 164.8 | 0 | 0 | 0 | 110.9 | I268 L269 L270 S276 | I268-I272 HydrophobicContact CG2-CD1 3.95Å; I268-I272 VanDerWaalsContact O-CG1 3.3Å; I268-I272 WeakPolarHBondContact O-CG1 3.4Å; I268-I272 PolarHBondContact O-N 2.68Å; L269-I272 PolarHBondContact O-N 3.48Å; L270-I272 VanDerWaalsContact C-N 3.35Å; L270-I272 PolarHBondContact O-N 3.25Å; I272-S276 WeakPolarHBondContact O-CB 3.31Å; I272-S276 PolarHBondContact O-N 2.84Å |
| 273 | D | 93.2 | Very high | 92.6 | Very high | 32 Ų | 32 | 56.5 Ų | 56.5 | 17% | 0.171 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.8 | -49 | 178.7 | -177.2 | 87.6 | 0 | 0 | 0 | 111.2 | L269 L270 V279 K282 M283 | L269-D273 WeakPolarHBondContact O-CB 3.41Å; L269-D273 PolarHBondContact O-N 2.95Å; L270-D273 PolarHBondContact O-N 3.01Å; D273-V279 WeakPolarHBondContact OD1-CG1 3.37Å; D273-K282 VanDerWaalsContact O-CD 3.24Å; D273-K282 WeakPolarHBondContact O-CD 3.45Å; D273-K282 PolarHBondContact O-NZ 3.26Å; D273-M283 WeakPolarHBondContact OD2-CB 3.5Å; D273-M283 PolarHBondContact OD2-N 3.4Å |
| 274 | L | 92.9 | Very high | 92.7 | Very high | 34 Ų | 34 | 58.5 Ų | 58.5 | 18% | 0.178 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69 | -39.7 | -177.7 | -66.4 | -178.8 | 0 | 0 | 0 | 112.9 | L270 S271 K282 I311 Y312 | L270-L274 HydrophobicContact CD1-CD1 3.88Å; L270-L274 HydrophobicContact CD1-CD2 4.39Å; L270-L274 HydrophobicContact CD1-CG 3.91Å; L270-L274 HydrophobicContact CD2-CD1 4.48Å; L270-L274 HydrophobicContact CG-CD1 3.92Å; L270-L274 HydrophobicContact CG-CG 4.27Å; L270-L274 WeakPolarHBondContact O-CB 3.3Å; L270-L274 VanDerWaalsContact O-CG 3.31Å; L270-L274 WeakPolarHBondContact O-CG 3.33Å; L270-L274 PolarHBondContact O-N 2.94Å; S271-L274 PolarHBondContact O-N 3.23Å; L274-K282 HydrophobicContact CD2-CB 4.03Å; L274-K282 VanDerWaalsContact O-CE 3.27Å; L274-K282 WeakPolarHBondContact O-CE 3.38Å; L274-K282 PolarHBondContact O-NZ 2.66Å; L274-I311 HydrophobicContact CD1-CG2 4.07Å; L274-Y312 HydrophobicContact CD1-CD2 4.32Å |
| 275 | T | 89.7 | Confident | 92.7 | Very high | 73 Ų | 73 | 62.1 Ų | 62.1 | 45% | 0.448 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -86.8 | -27.4 | -176.1 | 59.2 | 0 | 0 | 0 | 0 | 114.3 | S271 P277 H316 | S271-T275 WeakPolarHBondContact O-CG2 3.48Å; S271-T275 PolarHBondContact O-N 3.05Å; S271-T275 PolarHBondContact O-OG1 3.46Å; T275-P277 WeakPolarHBondContact O-CD 3.29Å; T275-H316 HydrophobicContact CG2-CB 4.33Å; T275-H316 PolarHBondContact OG1-CD2 3.13Å; T275-H316 VanDerWaalsContact OG1-CD2 3.3Å |
| 276 | S | 88.9 | Confident | 92.9 | Very high | 27 Ų | 27 | 69.6 Ų | 69.6 | 19% | 0.189 | 35% | 0.349 | C | S | . | . | trans | -69.3 | 122.9 | -172.7 | 178.3 | 0 | 0 | 0 | 0 | 112.5 | I272 H278 V279 K282 | I272-S276 WeakPolarHBondContact O-CB 3.31Å; I272-S276 PolarHBondContact O-N 2.84Å; S276-H278 PolarHBondContact O-N 3.13Å; S276-H278 VanDerWaalsContact O-N 3.13Å; S276-H278 PolarHBondContact OG-N 2.97Å; S276-V279 PolarHBondContact O-N 3.47Å; S276-V279 VanDerWaalsContact O-N 3.14Å; S276-K282 PolarHBondContact O-NZ 2.88Å | ||
| 277 | P | 89.9 | Confident | 93 | Very high | 115 Ų | 115 | 72.3 Ų | 72.3 | 75% | 0.747 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.6 | 178.2 | 27.2 | -34.4 | 0 | 0 | 0 | 112.9 | T275 V279 | T275-P277 WeakPolarHBondContact O-CD 3.29Å; P277-V279 VanDerWaalsContact C-N 3.29Å; P277-V279 PolarHBondContact O-N 3.21Å |
| 278 | H | 91.1 | Very high | 93 | Very high | 169 Ų | 169 | 72.5 Ų | 72.5 | 78% | 0.782 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -18.6 | 178.8 | -58.6 | 84.5 | 0 | 0 | 0 | 112.7 | S276 | S276-H278 PolarHBondContact O-N 3.13Å; S276-H278 VanDerWaalsContact O-N 3.13Å; S276-H278 PolarHBondContact OG-N 2.97Å |
| 279 | V | 91.3 | Very high | 93.2 | Very high | 42 Ų | 42 | 73.1 Ų | 73.1 | 26% | 0.255 | 36% | 0.364 | S | S | . | . | trans | -92.3 | 104.1 | 176.9 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | D273 S276 P277 N281 K282 | D273-V279 WeakPolarHBondContact OD1-CG1 3.37Å; S276-V279 PolarHBondContact O-N 3.47Å; S276-V279 VanDerWaalsContact O-N 3.14Å; P277-V279 VanDerWaalsContact C-N 3.29Å; P277-V279 PolarHBondContact O-N 3.21Å; V279-N281 WeakPolarHBondContact CG1-O 3.4Å; V279-K282 HydrophobicContact CB-CD 4.27Å; V279-K282 HydrophobicContact CG1-CD 3.98Å; V279-K282 WeakPolarHBondContact O-CD 3.14Å; V279-K282 WeakPolarHBondContact O-CE 3.29Å; V279-K282 PolarHBondContact O-NZ 3.42Å | ||
| 280 | K | 91.5 | Very high | 93.3 | Very high | 193 Ų | 193 | 75.3 Ų | 75.3 | 84% | 0.839 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -74.3 | -44.1 | 178.1 | -62.6 | -174.5 | -179.5 | -177.5 | 0 | 112.5 | ||
| 281 | N | 93.3 | Very high | 93.3 | Very high | 152 Ų | 152 | 78.2 Ų | 78.2 | 81% | 0.813 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -101.4 | 99.4 | -179.5 | -64.3 | -25.4 | 0 | 0 | 0 | 108.8 | V279 | V279-N281 WeakPolarHBondContact CG1-O 3.4Š|
| 282 | K | 93.8 | Very high | 93.3 | Very high | 78 Ų | 78 | 78.3 Ų | 78.3 | 34% | 0.339 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -73 | 144.8 | -179.6 | -56.1 | -53.3 | -167 | 172.9 | 0 | 111.2 | D273 L274 S276 V279 S284 | D273-K282 VanDerWaalsContact O-CD 3.24Å; D273-K282 WeakPolarHBondContact O-CD 3.45Å; D273-K282 PolarHBondContact O-NZ 3.26Å; L274-K282 HydrophobicContact CD2-CB 4.03Å; L274-K282 VanDerWaalsContact O-CE 3.27Å; L274-K282 WeakPolarHBondContact O-CE 3.38Å; L274-K282 PolarHBondContact O-NZ 2.66Å; S276-K282 PolarHBondContact O-NZ 2.88Å; V279-K282 HydrophobicContact CB-CD 4.27Å; V279-K282 HydrophobicContact CG1-CD 3.98Å; V279-K282 WeakPolarHBondContact O-CD 3.14Å; V279-K282 WeakPolarHBondContact O-CE 3.29Å; V279-K282 PolarHBondContact O-NZ 3.42Å; K282-S284 PolarHBondContact O-N 3.47Å |
| 283 | M | 95 | Very high | 93.3 | Very high | 46 Ų | 46 | 81 Ų | 81 | 23% | 0.227 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 123 | 175.8 | -170.3 | 176.8 | -56.6 | 0 | 0 | 110.3 | L270 D273 E287 F288 Y308 | L270-M283 HydrophobicContact CD1-CB 4.28Å; L270-M283 HydrophobicContact CD1-SD 4.4Å; D273-M283 WeakPolarHBondContact OD2-CB 3.5Å; D273-M283 PolarHBondContact OD2-N 3.4Å; M283-E287 HydrophobicContact CG-CB 3.83Å; M283-F288 HydrophobicContact CG-CB 4.26Å; M283-F288 HydrophobicContact SD-CB 3.8Å; M283-F288 HydrophobicContact SD-CD2 3.95Å; M283-F288 HydrophobicContact SD-CG 4.4Å; M283-Y308 WeakPolarHBondContact O-CE2 3.49Å; M283-Y308 PolarHBondContact O-OH 3.3Å |
| 284 | S | 96.8 | Very high | 93.1 | Very high | 44 Ų | 44 | 88.5 Ų | 88.5 | 31% | 0.308 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 157.1 | 173.5 | 65.8 | 0 | 0 | 0 | 0 | 111.5 | K282 R286 E287 F288 | K282-S284 PolarHBondContact O-N 3.47Å; S284-R286 PolarHBondContact O-N 3.46Å; S284-E287 WeakPolarHBondContact CB-OE2 3.34Å; S284-E287 PolarHBondContact N-OE2 2.96Å; S284-E287 PolarHBondContact O-N 3.1Å; S284-E287 VanDerWaalsContact OG-CD 3.25Å; S284-E287 VanDerWaalsContact OG-CG 3.24Å; S284-E287 WeakPolarHBondContact OG-CG 3.3Å; S284-E287 PolarHBondContact OG-N 3.01Å; S284-E287 PolarHBondContact OG-OE2 3.11Å; S284-F288 PolarHBondContact O-N 3.12Å |
| 285 | K | 96.9 | Very high | 92.7 | Very high | 75 Ų | 75 | 89.8 Ų | 89.8 | 33% | 0.326 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -51.2 | -44 | 174.7 | -174.6 | 173.2 | -175.9 | 170.4 | 0 | 112.7 | E287 F288 I289 G305 Y308 D309 | K285-E287 PolarHBondContact O-N 2.95Å; K285-F288 PolarHBondContact O-N 3.31Å; K285-I289 HydrophobicContact CG-CD1 3.94Å; K285-I289 VanDerWaalsContact O-CG1 3.29Å; K285-I289 WeakPolarHBondContact O-CG1 3.49Å; K285-I289 PolarHBondContact O-N 3.37Å; K285-G305 WeakPolarHBondContact CE-O 3.24Å; K285-Y308 HydrophobicContact CB-CD1 3.62Å; K285-Y308 HydrophobicContact CB-CD2 4.36Å; K285-Y308 HydrophobicContact CB-CE1 3.69Å; K285-Y308 HydrophobicContact CB-CE2 4.39Å; K285-Y308 HydrophobicContact CB-CG 3.98Å; K285-Y308 HydrophobicContact CD-CD1 4.13Å; K285-Y308 HydrophobicContact CG-CD1 3.75Å; K285-Y308 HydrophobicContact CG-CE1 4.34Å; K285-Y308 HydrophobicContact CG-CG 3.93Å; K285-D309 WeakPolarHBondContact CD-OD1 3.19Å; K285-D309 VanDerWaalsContact CE-OD1 3.29Å; K285-D309 WeakPolarHBondContact CE-OD1 3.42Å; K285-D309 IonicContact NZ-OD1 3.82Å; K285-D309 PolarHBondContact NZ-OD1 3.36Å; K285-D309 IonicContact NZ-OD2 3.75Å; K285-D309 PolarHBondContact NZ-OD2 3.11Å |
| 286 | R | 96.3 | Very high | 92.5 | Very high | 209 Ų | 209 | 86.5 Ų | 86.5 | 79% | 0.789 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.7 | -40.4 | 179 | -174.3 | 175.8 | 64.9 | 179 | -0.4 | 112.2 | S284 R290 | S284-R286 PolarHBondContact O-N 3.46Å; R286-R290 WeakPolarHBondContact O-CB 3.33Å; R286-R290 PolarHBondContact O-N 2.94Å; R286-R290 VanDerWaalsContact O-N 3.11Å |
| 287 | E | 95.8 | Very high | 92 | Very high | 76 Ų | 76 | 92.6 Ų | 92.6 | 36% | 0.355 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.6 | -42.3 | 176.5 | -72.8 | 165.4 | 137.5 | 0 | 0 | 111.6 | M283 S284 K285 R290 N291 | M283-E287 HydrophobicContact CG-CB 3.83Å; S284-E287 WeakPolarHBondContact CB-OE2 3.34Å; S284-E287 PolarHBondContact N-OE2 2.96Å; S284-E287 PolarHBondContact O-N 3.1Å; S284-E287 VanDerWaalsContact OG-CD 3.25Å; S284-E287 VanDerWaalsContact OG-CG 3.24Å; S284-E287 WeakPolarHBondContact OG-CG 3.3Å; S284-E287 PolarHBondContact OG-N 3.01Å; S284-E287 PolarHBondContact OG-OE2 3.11Å; K285-E287 PolarHBondContact O-N 2.95Å; E287-R290 PolarHBondContact O-N 3.3Å; E287-N291 WeakPolarHBondContact O-CB 3.5Å; E287-N291 PolarHBondContact O-N 2.98Å; E287-N291 PolarHBondContact O-ND2 3.24Å; E287-N291 PolarHBondContact O-OD1 3Å |
| 288 | F | 96.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 94 Ų | 94 | 2% | 0.018 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -58.8 | -51.9 | 175.5 | -179.8 | -104.3 | 0 | 0 | 0 | 111.5 | L267 L270 M283 S284 K285 R290 N291 T292 V304 L307 Y308 | L267-F288 HydrophobicContact CD2-CZ 4.15Å; L270-F288 HydrophobicContact CB-CD2 4.08Å; L270-F288 HydrophobicContact CB-CE2 3.84Å; L270-F288 HydrophobicContact CD1-CD2 4.06Å; L270-F288 HydrophobicContact CD2-CD1 4.38Å; L270-F288 HydrophobicContact CD2-CD2 3.82Å; L270-F288 HydrophobicContact CD2-CE1 4.29Å; L270-F288 HydrophobicContact CD2-CE2 3.74Å; L270-F288 HydrophobicContact CD2-CG 4.14Å; L270-F288 HydrophobicContact CD2-CZ 3.98Å; L270-F288 HydrophobicContact CG-CD2 4.2Å; L270-F288 HydrophobicContact CG-CE2 4.26Å; M283-F288 HydrophobicContact CG-CB 4.26Å; M283-F288 HydrophobicContact SD-CB 3.8Å; M283-F288 HydrophobicContact SD-CD2 3.95Å; M283-F288 HydrophobicContact SD-CG 4.4Å; S284-F288 PolarHBondContact O-N 3.12Å; K285-F288 PolarHBondContact O-N 3.31Å; F288-R290 VanDerWaalsContact C-N 3.31Å; F288-R290 PolarHBondContact O-N 2.84Å; F288-N291 PolarHBondContact O-N 3.39Å; F288-N291 VanDerWaalsContact O-N 3.12Å; F288-T292 WeakPolarHBondContact CE2-OG1 3.32Å; F288-T292 WeakPolarHBondContact O-CB 3.48Å; F288-T292 PolarHBondContact O-N 3.33Å; F288-T292 PolarHBondContact O-OG1 2.95Å; F288-T292 VanDerWaalsContact O-OG1 3.11Å; F288-V304 HydrophobicContact CD1-CG1 3.73Å; F288-V304 HydrophobicContact CE1-CG1 3.52Å; F288-V304 HydrophobicContact CZ-CG1 4.49Å; F288-L307 HydrophobicContact CE1-CB 4.32Å; F288-Y308 HydrophobicContact CB-CD2 3.62Å; F288-Y308 HydrophobicContact CB-CE2 4.16Å; F288-Y308 AromaticContact CD1-CD2 3.98Å; F288-Y308 HydrophobicContact CD1-CD2 3.98Å; F288-Y308 HydrophobicContact CD1-CG 4.36Å; F288-Y308 AromaticContact CG-CD2 3.83Å; F288-Y308 HydrophobicContact CG-CD2 3.83Å |
| 289 | I | 95.6 | Very high | 91.4 | Very high | 26 Ų | 26 | 86.4 Ų | 86.4 | 13% | 0.133 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -54.5 | -48.4 | 177.6 | -67.4 | 165.3 | 0 | 0 | 0 | 110.9 | K285 N291 R293 E301 V304 | K285-I289 HydrophobicContact CG-CD1 3.94Å; K285-I289 VanDerWaalsContact O-CG1 3.29Å; K285-I289 WeakPolarHBondContact O-CG1 3.49Å; K285-I289 PolarHBondContact O-N 3.37Å; I289-N291 PolarHBondContact O-N 3.21Å; I289-R293 HydrophobicContact CG2-CG 4.48Å; I289-R293 WeakPolarHBondContact O-CB 3.32Å; I289-R293 VanDerWaalsContact O-CG 3.31Å; I289-R293 WeakPolarHBondContact O-CG 3.3Å; I289-R293 PolarHBondContact O-N 2.91Å; I289-E301 HydrophobicContact CG2-CB 4.11Å; I289-E301 HydrophobicContact CG2-CG 3.85Å; I289-V304 HydrophobicContact CB-CG1 4.38Å; I289-V304 HydrophobicContact CG1-CB 4.27Å; I289-V304 HydrophobicContact CG1-CG1 4.01Å |
| 290 | R | 94.1 | Very high | 91.3 | Very high | 128 Ų | 128 | 87.5 Ų | 87.5 | 48% | 0.483 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 178.6 | -176.3 | -173.8 | 66.1 | 177.7 | -4.9 | 112.3 | R286 E287 F288 R294 | R286-R290 WeakPolarHBondContact O-CB 3.33Å; R286-R290 PolarHBondContact O-N 2.94Å; R286-R290 VanDerWaalsContact O-N 3.11Å; E287-R290 PolarHBondContact O-N 3.3Å; F288-R290 VanDerWaalsContact C-N 3.31Å; F288-R290 PolarHBondContact O-N 2.84Å; R290-R294 WeakPolarHBondContact O-CG 3.31Å; R290-R294 PolarHBondContact O-N 3.23Å |
| 291 | N | 94 | Very high | 91.4 | Very high | 63 Ų | 63 | 83.2 Ų | 83.2 | 34% | 0.337 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69.8 | -45.8 | -177 | -67.7 | -14.5 | 0 | 0 | 0 | 111.2 | E287 F288 I289 R294 A295 | E287-N291 WeakPolarHBondContact O-CB 3.5Å; E287-N291 PolarHBondContact O-N 2.98Å; E287-N291 PolarHBondContact O-ND2 3.24Å; E287-N291 PolarHBondContact O-OD1 3Å; F288-N291 PolarHBondContact O-N 3.39Å; F288-N291 VanDerWaalsContact O-N 3.12Å; I289-N291 PolarHBondContact O-N 3.21Å; N291-R294 PolarHBondContact O-N 3.48Å; N291-A295 PolarHBondContact O-N 3.27Å |
| 292 | T | 93 | Very high | 91.4 | Very high | 3 Ų | 3 | 81.5 Ų | 81.5 | 2% | 0.018 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68 | -39.3 | -178.2 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | L263 F288 R294 A295 A296 V304 | L263-T292 HydrophobicContact CD2-CG2 3.43Å; L263-T292 VanDerWaalsContact CD2-CG2 3.43Å; F288-T292 WeakPolarHBondContact CE2-OG1 3.32Å; F288-T292 WeakPolarHBondContact O-CB 3.48Å; F288-T292 PolarHBondContact O-N 3.33Å; F288-T292 PolarHBondContact O-OG1 2.95Å; F288-T292 VanDerWaalsContact O-OG1 3.11Å; T292-R294 PolarHBondContact O-N 3.05Å; T292-A295 PolarHBondContact O-N 2.93Å; T292-A296 PolarHBondContact O-N 3.27Å; T292-V304 HydrophobicContact CG2-CG1 3.99Å; T292-V304 HydrophobicContact CG2-CG2 4.34Å |
| 293 | R | 90.9 | Very high | 91.3 | Very high | 113 Ų | 113 | 79.2 Ų | 79.2 | 43% | 0.426 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.9 | -23.4 | 176.2 | -71.5 | -174.2 | 73.9 | -135.8 | -5.1 | 114.1 | I289 I299 E301 | I289-R293 HydrophobicContact CG2-CG 4.48Å; I289-R293 WeakPolarHBondContact O-CB 3.32Å; I289-R293 VanDerWaalsContact O-CG 3.31Å; I289-R293 WeakPolarHBondContact O-CG 3.3Å; I289-R293 PolarHBondContact O-N 2.91Å; R293-I299 PolarHBondContact NE-O 2.92Å; R293-E301 IonicContact CZ-OE1 3.73Å; R293-E301 IonicContact NH1-OE1 2.66Å; R293-E301 PolarHBondContact NH1-OE1 2.88Å |
| 294 | R | 87.3 | Confident | 91.3 | Very high | 189 Ų | 189 | 77 Ų | 77 | 71% | 0.713 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -73.8 | -31.2 | 171 | -73.1 | 174.1 | 177.1 | -169.8 | -2.4 | 112 | R290 N291 T292 | R290-R294 WeakPolarHBondContact O-CG 3.31Å; R290-R294 PolarHBondContact O-N 3.23Å; N291-R294 PolarHBondContact O-N 3.48Å; T292-R294 PolarHBondContact O-N 3.05Å |
| 295 | A | 86.3 | Confident | 91.3 | Very high | 60 Ų | 60 | 75 Ų | 75 | 50% | 0.496 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -87.4 | -35 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V262 N291 T292 | V262-A295 HydrophobicContact CG1-CB 3.55Å; N291-A295 PolarHBondContact O-N 3.27Å; T292-A295 PolarHBondContact O-N 2.93Å |
| 296 | A | 84.6 | Confident | 91.2 | Very high | 5 Ų | 5 | 76.5 Ų | 76.5 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -126.5 | 114.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110 | V262 T292 I299 | V262-A296 HydrophobicContact CB-CB 4.4Å; V262-A296 HydrophobicContact CG1-CB 4.07Å; T292-A296 PolarHBondContact O-N 3.27Å; A296-I299 HydrophobicContact CB-CD1 3.44Å; A296-I299 VanDerWaalsContact CB-CD1 3.44Å; A296-I299 HydrophobicContact CB-CG1 4.29Å |
| 297 | Q | 79.3 | Confident | 91.2 | Very high | 155 Ų | 155 | 66.5 Ų | 66.5 | 72% | 0.724 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 159.6 | -177.5 | -61.4 | -177.3 | 4.8 | 0 | 0 | 111.1 | I299 | Q297-I299 VanDerWaalsContact C-N 3.33Å; Q297-I299 PolarHBondContact O-N 3.46Å |
| 298 | N | 80.8 | Confident | 91.2 | Very high | 145 Ų | 145 | 64 Ų | 64 | 78% | 0.775 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 24.1 | 175.6 | -53.5 | -31 | 0 | 0 | 0 | 116.3 | ||
| 299 | I | 86.4 | Confident | 91.3 | Very high | 9 Ų | 9 | 66.1 Ų | 66.1 | 5% | 0.046 | 32% | 0.321 | C | S | . | . | trans | -104 | 134.2 | 176.8 | -46 | -171.6 | 0 | 0 | 0 | 110.8 | L255 L263 R293 A296 Q297 F303 V304 | L255-I299 HydrophobicContact CD2-CD1 3.59Å; L255-I299 HydrophobicContact CD2-CG1 3.69Å; L263-I299 HydrophobicContact CD1-CD1 3.97Å; L263-I299 HydrophobicContact CD2-CD1 3.79Å; L263-I299 HydrophobicContact CG-CD1 4.01Å; R293-I299 PolarHBondContact NE-O 2.92Å; A296-I299 HydrophobicContact CB-CD1 3.44Å; A296-I299 VanDerWaalsContact CB-CD1 3.44Å; A296-I299 HydrophobicContact CB-CG1 4.29Å; Q297-I299 VanDerWaalsContact C-N 3.33Å; Q297-I299 PolarHBondContact O-N 3.46Å; I299-F303 HydrophobicContact CG2-CD1 3.66Å; I299-F303 HydrophobicContact CG2-CE1 4.41Å; I299-V304 HydrophobicContact CB-CG2 4.27Å; I299-V304 HydrophobicContact CG2-CG2 3.58Å | ||
| 300 | S | 90.2 | Very high | 91.3 | Very high | 64 Ų | 64 | 66 Ų | 66 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | trans | -63.1 | 139.8 | 174.8 | 176 | 0 | 0 | 0 | 0 | 112.1 | D302 F303 V304 | S300-D302 VanDerWaalsContact C-N 3.29Å; S300-D302 PolarHBondContact O-N 3.49Å; S300-D302 PolarHBondContact OG-N 3.46Å; S300-F303 PolarHBondContact O-N 3.03Å; S300-V304 WeakPolarHBondContact O-CG2 3.27Å; S300-V304 PolarHBondContact O-N 2.86Å | ||
| 301 | E | 92.2 | Very high | 91.3 | Very high | 104 Ų | 104 | 60 Ų | 60 | 49% | 0.486 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 175.5 | -72 | -170.8 | 173 | 0 | 0 | 112.2 | I289 R293 F303 V304 G305 | I289-E301 HydrophobicContact CG2-CB 4.11Å; I289-E301 HydrophobicContact CG2-CG 3.85Å; R293-E301 IonicContact CZ-OE1 3.73Å; R293-E301 IonicContact NH1-OE1 2.66Å; R293-E301 PolarHBondContact NH1-OE1 2.88Å; E301-F303 PolarHBondContact O-N 3.03Å; E301-V304 PolarHBondContact O-N 3.06Å; E301-G305 PolarHBondContact O-N 3.01Å |
| 302 | D | 93.2 | Very high | 91.3 | Very high | 116 Ų | 116 | 64.2 Ų | 64.2 | 62% | 0.62 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64 | -43.2 | 179.9 | -65 | -31.6 | 0 | 0 | 0 | 111 | S300 G305 H306 | S300-D302 VanDerWaalsContact C-N 3.29Å; S300-D302 PolarHBondContact O-N 3.49Å; S300-D302 PolarHBondContact OG-N 3.46Å; D302-G305 PolarHBondContact O-N 3.3Å; D302-H306 VanDerWaalsContact O-CG 3.27Å; D302-H306 PolarHBondContact O-N 2.74Å; D302-H306 PolarHBondContact O-ND1 3.03Å |
| 303 | F | 92.7 | Very high | 91.4 | Very high | 29 Ų | 29 | 70.6 Ų | 70.6 | 13% | 0.127 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 177.6 | 179.8 | -103.8 | 0 | 0 | 0 | 111.4 | F209 L253 L255 L263 I299 S300 E301 G305 H306 L307 | F209-F303 HydrophobicContact CE2-CD2 4.35Å; F209-F303 AromaticContact CE2-CE2 3.76Å; F209-F303 HydrophobicContact CE2-CE2 3.76Å; F209-F303 HydrophobicContact CE2-CZ 4.42Å; L253-F303 HydrophobicContact CD1-CD2 4.1Å; L253-F303 HydrophobicContact CD1-CE1 4.5Å; L253-F303 HydrophobicContact CD1-CE2 3.74Å; L253-F303 HydrophobicContact CD1-CZ 3.97Å; L255-F303 HydrophobicContact CD1-CE1 4.22Å; L255-F303 HydrophobicContact CD1-CZ 4.44Å; L263-F303 HydrophobicContact CD1-CE1 4.05Å; I299-F303 HydrophobicContact CG2-CD1 3.66Å; I299-F303 HydrophobicContact CG2-CE1 4.41Å; S300-F303 PolarHBondContact O-N 3.03Å; E301-F303 PolarHBondContact O-N 3.03Å; F303-G305 VanDerWaalsContact C-N 3.27Å; F303-G305 PolarHBondContact O-N 3.47Å; F303-H306 PolarHBondContact O-N 2.75Å; F303-L307 HydrophobicContact CD1-CD1 4.22Å; F303-L307 HydrophobicContact CD1-CG 4.5Å; F303-L307 HydrophobicContact CE1-CD1 3.86Å; F303-L307 HydrophobicContact CE1-CD2 4.38Å; F303-L307 HydrophobicContact CE1-CG 4.24Å; F303-L307 HydrophobicContact CZ-CD1 4.5Å; F303-L307 HydrophobicContact CZ-CD2 4.21Å; F303-L307 WeakPolarHBondContact O-CG 3.49Å; F303-L307 PolarHBondContact O-N 2.94Å |
| 304 | V | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.3 | -35.4 | 176.8 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | F288 I289 T292 I299 S300 E301 L307 Y308 | F288-V304 HydrophobicContact CD1-CG1 3.73Å; F288-V304 HydrophobicContact CE1-CG1 3.52Å; F288-V304 HydrophobicContact CZ-CG1 4.49Å; I289-V304 HydrophobicContact CB-CG1 4.38Å; I289-V304 HydrophobicContact CG1-CB 4.27Å; I289-V304 HydrophobicContact CG1-CG1 4.01Å; T292-V304 HydrophobicContact CG2-CG1 3.99Å; T292-V304 HydrophobicContact CG2-CG2 4.34Å; I299-V304 HydrophobicContact CB-CG2 4.27Å; I299-V304 HydrophobicContact CG2-CG2 3.58Å; S300-V304 WeakPolarHBondContact O-CG2 3.27Å; S300-V304 PolarHBondContact O-N 2.86Å; E301-V304 PolarHBondContact O-N 3.06Å; V304-L307 WeakPolarHBondContact O-CB 3.11Å; V304-L307 PolarHBondContact O-N 3.35Å; V304-Y308 PolarHBondContact O-N 3.31Å; V304-Y308 VanDerWaalsContact O-N 3.1Å |
| 305 | G | 96.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 62 Ų | 62 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K285 E301 D302 F303 L307 Y308 D309 | K285-G305 WeakPolarHBondContact CE-O 3.24Å; E301-G305 PolarHBondContact O-N 3.01Å; D302-G305 PolarHBondContact O-N 3.3Å; F303-G305 VanDerWaalsContact C-N 3.27Å; F303-G305 PolarHBondContact O-N 3.47Å; G305-L307 VanDerWaalsContact C-N 3.31Å; G305-L307 PolarHBondContact O-N 2.67Å; G305-Y308 WeakPolarHBondContact O-CB 3.06Å; G305-Y308 PolarHBondContact O-N 2.85Å; G305-D309 VanDerWaalsContact O-CG 3.29Å; G305-D309 PolarHBondContact O-N 3.45Å |
| 306 | H | 95.8 | Very high | 91 | Very high | 106 Ų | 106 | 62.3 Ų | 62.3 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.4 | -34.3 | 175.8 | -64.4 | 149.7 | 0 | 0 | 0 | 112.6 | F209 D302 F303 D309 N310 | F209-H306 HydrophobicContact CZ-CB 3.91Å; D302-H306 VanDerWaalsContact O-CG 3.27Å; D302-H306 PolarHBondContact O-N 2.74Å; D302-H306 PolarHBondContact O-ND1 3.03Å; F303-H306 PolarHBondContact O-N 2.75Å; H306-D309 PolarHBondContact O-N 3.31Å; H306-N310 WeakPolarHBondContact O-CB 3.36Å; H306-N310 PolarHBondContact O-N 3.29Å |
| 307 | L | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 172.5 | -63.9 | 177.4 | 0 | 0 | 0 | 110.9 | F209 L210 P211 L263 L267 F288 F303 V304 G305 N310 I311 | F209-L307 HydrophobicContact CE1-CD2 3.99Å; F209-L307 HydrophobicContact CE2-CD2 4.04Å; F209-L307 HydrophobicContact CZ-CD2 3.52Å; F209-L307 HydrophobicContact CZ-CG 4.2Å; L210-L307 HydrophobicContact CB-CD2 4.25Å; L210-L307 HydrophobicContact CD2-CD2 4.4Å; P211-L307 HydrophobicContact CG-CD2 3.55Å; L263-L307 HydrophobicContact CD1-CD1 4.39Å; L263-L307 HydrophobicContact CD2-CD1 3.98Å; L267-L307 HydrophobicContact CD1-CD2 4.48Å; L267-L307 HydrophobicContact CD2-CB 3.82Å; F288-L307 HydrophobicContact CE1-CB 4.32Å; F303-L307 HydrophobicContact CD1-CD1 4.22Å; F303-L307 HydrophobicContact CD1-CG 4.5Å; F303-L307 HydrophobicContact CE1-CD1 3.86Å; F303-L307 HydrophobicContact CE1-CD2 4.38Å; F303-L307 HydrophobicContact CE1-CG 4.24Å; F303-L307 HydrophobicContact CZ-CD1 4.5Å; F303-L307 HydrophobicContact CZ-CD2 4.21Å; F303-L307 WeakPolarHBondContact O-CG 3.49Å; F303-L307 PolarHBondContact O-N 2.94Å; V304-L307 WeakPolarHBondContact O-CB 3.11Å; V304-L307 PolarHBondContact O-N 3.35Å; G305-L307 VanDerWaalsContact C-N 3.31Å; G305-L307 PolarHBondContact O-N 2.67Å; L307-N310 PolarHBondContact O-N 2.88Å; L307-I311 WeakPolarHBondContact O-CG1 3.45Å; L307-I311 PolarHBondContact O-N 3.33Å |
| 308 | Y | 96.8 | Very high | 90.3 | Very high | 22 Ų | 22 | 55.7 Ų | 55.7 | 9% | 0.086 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.6 | -50.9 | 176.5 | -178.8 | -85 | 0 | 0 | 0 | 111.8 | L270 M283 K285 F288 V304 G305 N310 I311 Y312 | L270-Y308 HydrophobicContact CD1-CD2 3.8Å; L270-Y308 HydrophobicContact CD1-CE2 3.64Å; L270-Y308 HydrophobicContact CD2-CD2 3.56Å; L270-Y308 HydrophobicContact CD2-CE2 4.21Å; L270-Y308 HydrophobicContact CD2-CG 4.22Å; L270-Y308 HydrophobicContact CG-CD2 4.32Å; M283-Y308 WeakPolarHBondContact O-CE2 3.49Å; M283-Y308 PolarHBondContact O-OH 3.3Å; K285-Y308 HydrophobicContact CB-CD1 3.62Å; K285-Y308 HydrophobicContact CB-CD2 4.36Å; K285-Y308 HydrophobicContact CB-CE1 3.69Å; K285-Y308 HydrophobicContact CB-CE2 4.39Å; K285-Y308 HydrophobicContact CB-CG 3.98Å; K285-Y308 HydrophobicContact CD-CD1 4.13Å; K285-Y308 HydrophobicContact CG-CD1 3.75Å; K285-Y308 HydrophobicContact CG-CE1 4.34Å; K285-Y308 HydrophobicContact CG-CG 3.93Å; F288-Y308 HydrophobicContact CB-CD2 3.62Å; F288-Y308 HydrophobicContact CB-CE2 4.16Å; F288-Y308 AromaticContact CD1-CD2 3.98Å; F288-Y308 HydrophobicContact CD1-CD2 3.98Å; F288-Y308 HydrophobicContact CD1-CG 4.36Å; F288-Y308 AromaticContact CG-CD2 3.83Å; F288-Y308 HydrophobicContact CG-CD2 3.83Å; V304-Y308 PolarHBondContact O-N 3.31Å; V304-Y308 VanDerWaalsContact O-N 3.1Å; G305-Y308 WeakPolarHBondContact O-CB 3.06Å; G305-Y308 PolarHBondContact O-N 2.85Å; Y308-N310 PolarHBondContact O-N 3.4Å; Y308-I311 PolarHBondContact O-N 3.33Å; Y308-I311 VanDerWaalsContact O-N 3.1Å; Y308-Y312 HydrophobicContact CE1-CD2 4.3Å; Y308-Y312 HydrophobicContact CE1-CG 4.29Å; Y308-Y312 WeakPolarHBondContact O-CB 3.17Å; Y308-Y312 PolarHBondContact O-N 3.14Å |
| 309 | D | 96.6 | Very high | 88.9 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.1 | -39.9 | -177.7 | -63.3 | -23.6 | 0 | 0 | 0 | 110.9 | K285 G305 H306 Y312 L313 | K285-D309 WeakPolarHBondContact CD-OD1 3.19Å; K285-D309 VanDerWaalsContact CE-OD1 3.29Å; K285-D309 WeakPolarHBondContact CE-OD1 3.42Å; K285-D309 IonicContact NZ-OD1 3.82Å; K285-D309 PolarHBondContact NZ-OD1 3.36Å; K285-D309 IonicContact NZ-OD2 3.75Å; K285-D309 PolarHBondContact NZ-OD2 3.11Å; G305-D309 VanDerWaalsContact O-CG 3.29Å; G305-D309 PolarHBondContact O-N 3.45Å; H306-D309 PolarHBondContact O-N 3.31Å; D309-Y312 PolarHBondContact O-N 3.18Å; D309-L313 VanDerWaalsContact O-CB 3.31Å; D309-L313 WeakPolarHBondContact O-CB 3.37Å; D309-L313 WeakPolarHBondContact O-CG 3Å; D309-L313 PolarHBondContact O-N 2.9Å |
| 310 | N | 96.1 | Very high | 89 | Confident | 23 Ų | 23 | 57.8 Ų | 57.8 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 177.4 | -177.1 | -75.2 | 0 | 0 | 0 | 112.8 | F209 P211 N212 R215 H306 L307 Y308 I314 | F209-N310 HydrophobicContact CD1-CB 4.26Å; F209-N310 HydrophobicContact CE1-CB 3.86Å; P211-N310 VanDerWaalsContact CB-OD1 3.28Å; P211-N310 WeakPolarHBondContact CB-OD1 3.24Å; P211-N310 HydrophobicContact CG-CB 4.31Å; N212-N310 PolarHBondContact OD1-ND2 3.3Å; N212-N310 PolarHBondContact OD1-OD1 3.48Å; R215-N310 PolarHBondContact NH1-OD1 2.69Å; R215-N310 PolarHBondContact NH2-O 3.29Å; R215-N310 PolarHBondContact NH2-OD1 2.86Å; H306-N310 WeakPolarHBondContact O-CB 3.36Å; H306-N310 PolarHBondContact O-N 3.29Å; L307-N310 PolarHBondContact O-N 2.88Å; Y308-N310 PolarHBondContact O-N 3.4Å; N310-I314 WeakPolarHBondContact ND2-CD1 3.37Å; N310-I314 WeakPolarHBondContact O-CB 3.38Å; N310-I314 PolarHBondContact O-N 3.36Å |
| 311 | I | 95.2 | Very high | 88.9 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67 | -42.6 | 174.5 | -57.6 | -45.6 | 0 | 0 | 0 | 111 | P211 R215 L267 L270 L274 L307 Y308 L313 G315 V317 | P211-I311 HydrophobicContact CB-CD1 3.77Å; P211-I311 HydrophobicContact CG-CD1 4.45Å; R215-I311 VanDerWaalsContact NH2-CD1 3.31Å; L267-I311 HydrophobicContact CD2-CD1 4.04Å; L267-I311 HydrophobicContact CD2-CG1 3.67Å; L270-I311 HydrophobicContact CD2-CB 3.9Å; L270-I311 HydrophobicContact CD2-CG1 4.02Å; L270-I311 HydrophobicContact CD2-CG2 4.18Å; L270-I311 HydrophobicContact CG-CB 4.44Å; L270-I311 HydrophobicContact CG-CG2 4.17Å; L274-I311 HydrophobicContact CD1-CG2 4.07Å; L307-I311 WeakPolarHBondContact O-CG1 3.45Å; L307-I311 PolarHBondContact O-N 3.33Å; Y308-I311 PolarHBondContact O-N 3.33Å; Y308-I311 VanDerWaalsContact O-N 3.1Å; I311-L313 PolarHBondContact O-N 2.78Å; I311-G315 WeakPolarHBondContact O-CA 3.42Å; I311-G315 PolarHBondContact O-N 3.49Å; I311-V317 HydrophobicContact CD1-CG2 3.29Å; I311-V317 HydrophobicContact CG1-CG2 4.38Å |
| 312 | Y | 94.1 | Very high | 88.8 | Confident | 151 Ų | 151 | 54.8 Ų | 54.8 | 59% | 0.592 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63 | -41.6 | -179.5 | -177.2 | -96.6 | 0 | 0 | 0 | 112.5 | L274 Y308 D309 | L274-Y312 HydrophobicContact CD1-CD2 4.32Å; Y308-Y312 HydrophobicContact CE1-CD2 4.3Å; Y308-Y312 HydrophobicContact CE1-CG 4.29Å; Y308-Y312 WeakPolarHBondContact O-CB 3.17Å; Y308-Y312 PolarHBondContact O-N 3.14Å; D309-Y312 PolarHBondContact O-N 3.18Å |
| 313 | L | 93.3 | Very high | 88.5 | Confident | 137 Ų | 137 | 51.2 Ų | 51.2 | 72% | 0.717 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -81.5 | -43.3 | -176.8 | -67.8 | 172.3 | 0 | 0 | 0 | 113.7 | D309 I311 | D309-L313 VanDerWaalsContact O-CB 3.31Å; D309-L313 WeakPolarHBondContact O-CB 3.37Å; D309-L313 WeakPolarHBondContact O-CG 3Å; D309-L313 PolarHBondContact O-N 2.9Å; I311-L313 PolarHBondContact O-N 2.78Å |
| 314 | I | 91.1 | Very high | 88.2 | Confident | 101 Ų | 101 | 52.6 Ų | 52.6 | 52% | 0.518 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -90 | -30.2 | -174.8 | -58 | 179.4 | 0 | 0 | 0 | 111.3 | N310 | N310-I314 WeakPolarHBondContact ND2-CD1 3.37Å; N310-I314 WeakPolarHBondContact O-CB 3.38Å; N310-I314 PolarHBondContact O-N 3.36Å |
| 315 | G | 84.2 | Confident | 87.8 | Confident | 21 Ų | 21 | 56.1 Ų | 56.1 | 22% | 0.216 | 31% | 0.311 | C | S | . | . | trans | 93.6 | -149.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R215 I311 | R215-G315 PolarHBondContact NE-O 3.3Å; R215-G315 PolarHBondContact NH2-O 2.92Å; I311-G315 WeakPolarHBondContact O-CA 3.42Å; I311-G315 PolarHBondContact O-N 3.49Å | ||
| 316 | H | 82.3 | Confident | 87.2 | Confident | 65 Ų | 65 | 60 Ų | 60 | 30% | 0.301 | 33% | 0.332 | S | S | . | . | trans | -58 | 144.1 | -160.7 | -149 | -113.1 | 0 | 0 | 0 | 114.1 | R215 T275 A318 A319 | R215-H316 PolarHBondContact NE-O 3.42Å; R215-H316 VanDerWaalsContact NE-O 3.17Å; T275-H316 HydrophobicContact CG2-CB 4.33Å; T275-H316 PolarHBondContact OG1-CD2 3.13Å; T275-H316 VanDerWaalsContact OG1-CD2 3.3Å; H316-A318 PolarHBondContact CE1-O 3.42Å; H316-A318 PolarHBondContact ND1-O 3.09Å; H316-A319 WeakPolarHBondContact ND1-CA 3.45Å; H316-A319 PolarHBondContact ND1-N 3.28Å | ||
| 317 | V | 80 | Confident | 86.6 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.024 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -93.5 | -36.7 | -178.3 | 176.6 | 0 | 0 | 0 | 0 | 112.2 | L214 R215 F218 I268 I311 | L214-V317 HydrophobicContact CB-CG1 4.13Å; L214-V317 HydrophobicContact CD2-CG1 3.54Å; L214-V317 HydrophobicContact CG-CG1 3.54Å; R215-V317 HydrophobicContact CG-CB 4.43Å; R215-V317 HydrophobicContact CG-CG1 4.37Å; F218-V317 HydrophobicContact CD2-CG1 4.28Å; I268-V317 HydrophobicContact CG1-CG1 4.38Å; I311-V317 HydrophobicContact CD1-CG2 3.29Å; I311-V317 HydrophobicContact CG1-CG2 4.38Å |
| 318 | A | 68.1 | Low | 85.8 | Confident | 17 Ų | 17 | 61.2 Ų | 61.2 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | trans | -132.5 | 72.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | F218 A223 H316 | F218-A318 HydrophobicContact CD2-CB 3.94Å; F218-A318 HydrophobicContact CE2-CB 4.28Å; F218-A318 HydrophobicContact CG-CB 4.37Å; A223-A318 HydrophobicContact CB-CB 3.49Å; A223-A318 VanDerWaalsContact CB-CB 3.49Å; H316-A318 PolarHBondContact CE1-O 3.42Å; H316-A318 PolarHBondContact ND1-O 3.09Å | ||
| 319 | A | 51.5 | Low | 84.8 | Confident | 140 Ų | 140 | 64.7 Ų | 64.7 | 100% | 1.157 | 37% | 0.37 | S | S | * | . | trans | -68.6 | 0 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | H316 | H316-A319 WeakPolarHBondContact ND1-CA 3.45Å; H316-A319 PolarHBondContact ND1-N 3.28Å |
Retrieved 319 of 319 residues in 1373.6 ms
(Link to these results)