| 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 | G | 34.4 | Very low | 35.6 | Very low | 123 Ų | 123 | 166.5 Ų | 166.5 | 100% | 1.268 | 91% | 0.91 | S | S | * | * | 0 | 107.2 | 0 | 0 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 2 | M | 37.4 | Very low | 35.2 | Very low | 197 Ų | 197 | 168.5 Ų | 168.5 | 97% | 0.97 | 91% | 0.908 | S | S | * | * | 79.4 | 85 | 98.7 | -85.3 | -178.3 | 160.4 | 0 | 0 | 112.5 | |||||
| 3 | F | 37.2 | Very low | 34.8 | Very low | 214 Ų | 214 | 173.8 Ų | 173.8 | 94% | 0.939 | 91% | 0.907 | S | S | * | * | trans | -80.1 | 115.8 | 154.4 | -86.3 | -89.7 | 0 | 0 | 0 | 108.1 | ||||
| 4 | G | 38.9 | Very low | 34.4 | Very low | 77 Ų | 77 | 172.9 Ų | 172.9 | 79% | 0.794 | 90% | 0.904 | S | S | * | * | trans | -96.2 | 110.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 5 | R | 37.3 | Very low | 34.1 | Very low | 223 Ų | 223 | 169.5 Ų | 169.5 | 84% | 0.842 | 90% | 0.9 | S | S | * | * | trans | -109.6 | 111.9 | 161.5 | -86.3 | -175.8 | 174.5 | 174.8 | -1.4 | 107.9 | ||||
| 6 | S | 38 | Very low | 33.9 | Very low | 126 Ų | 126 | 166.3 Ų | 166.3 | 88% | 0.881 | 90% | 0.896 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 126.3 | 170.4 | -52.9 | 0 | 0 | 0 | 0 | 109.3 | ||
| 7 | Y | 36.2 | Very low | 33.7 | Very low | 225 Ų | 225 | 163.8 Ų | 163.8 | 88% | 0.882 | 89% | 0.894 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 126.3 | 173.1 | -71.9 | -92.2 | 0 | 0 | 0 | 109.4 | ||
| 8 | Q | 33.8 | Very low | 33.5 | Very low | 190 Ų | 190 | 163.8 Ų | 163.8 | 89% | 0.888 | 89% | 0.887 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 120.1 | 176 | -168.2 | 159 | -14.7 | 0 | 0 | 108.8 | ||
| 9 | L | 33.5 | Very low | 33.2 | Very low | 171 Ų | 171 | 162.1 Ų | 162.1 | 90% | 0.895 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 129.5 | 178.7 | -76.8 | 158.4 | 0 | 0 | 0 | 110.3 | ||
| 10 | L | 34.2 | Very low | 33 | Very low | 163 Ų | 163 | 158.6 Ų | 158.6 | 85% | 0.853 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 143.5 | 173.7 | -75.9 | 162.3 | 0 | 0 | 0 | 110.7 | ||
| 11 | P | 30.3 | Very low | 33.1 | Very low | 122 Ų | 122 | 157.1 Ų | 157.1 | 79% | 0.792 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 133.2 | -179.6 | 28.1 | -31.7 | 0 | 0 | 0 | 111.8 | ||
| 12 | Q | 30.9 | Very low | 32.7 | Very low | 191 Ų | 191 | 154.1 Ų | 154.1 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 124.7 | 177.9 | -164 | 170.8 | -13.9 | 0 | 0 | 109.7 | ||
| 13 | R | 29.8 | Very low | 32.4 | Very low | 237 Ų | 237 | 153 Ų | 153 | 89% | 0.894 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 117 | -176.9 | -173.2 | 179.9 | -177.5 | 115.4 | -2.4 | 109.6 | ||
| 14 | D | 29.7 | Very low | 32.1 | Very low | 161 Ų | 161 | 151.9 Ų | 151.9 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 128.4 | 171.2 | -73.4 | -40.6 | 0 | 0 | 0 | 110.8 | ||
| 15 | S | 30.1 | Very low | 31.8 | Very low | 122 Ų | 122 | 155 Ų | 155 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -117.1 | 95.4 | 176.4 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 16 | S | 31.5 | Very low | 31.2 | Very low | 118 Ų | 118 | 151.8 Ų | 151.8 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -102.8 | 109.7 | 163.5 | 57.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 17 | S | 29.4 | Very low | 31 | Very low | 125 Ų | 125 | 150.8 Ų | 150.8 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -153.5 | 143.6 | 158 | -162 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 18 | Q | 29.8 | Very low | 30.7 | Very low | 163 Ų | 163 | 148 Ų | 148 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -92.2 | 142.1 | -160.3 | -68.5 | 166.6 | -30.1 | 0 | 0 | 112.8 | ||||
| 19 | K | 27.9 | Very low | 30.4 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 57% | 0.57 | 80% | 0.801 | S | S | * | * | trans | -84 | 145.7 | 170.6 | -89.5 | 178.5 | 167 | -175.3 | 0 | 112.1 | E212 | K19-E212 PolarHBondContact NZ-O 3.05Š| ||
| 20 | T | 29.5 | Very low | 30.2 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 57% | 0.571 | 78% | 0.784 | S | S | * | * | trans | -120.2 | 166.1 | 164.8 | -1.4 | 0 | 0 | 0 | 0 | 108.9 | R382 | T20-R382 PolarHBondContact OG1-NH2 3.38Š| ||
| 21 | P | 35.5 | Very low | 30.3 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | -109.2 | 142.4 | -110.1 | 35.2 | -21.1 | 0 | 0 | 0 | 113.1 | |||||
| 22 | G | 25.8 | Very low | 30.3 | Very low | 60 Ų | 60 | 140.3 Ų | 140.3 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | trans | -159.4 | 105.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111 | F24 | G22-F24 PolarHBondContact O-N 3.27Š| ||
| 23 | L | 31 | Very low | 30.7 | Very low | 174 Ų | 174 | 138 Ų | 138 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 49.5 | 40.2 | 152.6 | -88.7 | 151.4 | 0 | 0 | 0 | 117.8 | ||
| 24 | F | 31.5 | Very low | 30.7 | Very low | 189 Ų | 189 | 128.5 Ų | 128.5 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -140.2 | 140.2 | 162.1 | -74.9 | -81.7 | 0 | 0 | 0 | 109.8 | G22 N26 | G22-F24 PolarHBondContact O-N 3.27Å; F24-N26 PolarHBondContact O-N 3.17Å |
| 25 | V | 31.7 | Very low | 31.2 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 87% | 0.873 | 76% | 0.757 | S | S | * | * | trans | -45.9 | 120.6 | -178.1 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | S27 | V25-S27 PolarHBondContact O-N 3.29Å; V25-S27 VanDerWaalsContact O-N 3.12Å | ||
| 26 | N | 24.5 | Very low | 31.3 | Very low | 154 Ų | 154 | 134 Ų | 134 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | trans | -62.1 | 107.3 | 179.2 | -108 | -10.2 | 0 | 0 | 0 | 110.4 | F24 H28 | F24-N26 PolarHBondContact O-N 3.17Å; N26-H28 VanDerWaalsContact C-N 3.34Å; N26-H28 PolarHBondContact O-N 3.34Å | ||
| 27 | S | 34.3 | Very low | 31.7 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -94.9 | 43.2 | 172.1 | 67.1 | 0 | 0 | 0 | 0 | 112.4 | V25 | V25-S27 PolarHBondContact O-N 3.29Å; V25-S27 VanDerWaalsContact O-N 3.12Å | ||
| 28 | H | 29.8 | Very low | 32 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | -147 | 84.4 | 170.3 | -89.3 | -77 | 0 | 0 | 0 | 110.9 | N26 | N26-H28 VanDerWaalsContact C-N 3.34Å; N26-H28 PolarHBondContact O-N 3.34Å | ||
| 29 | S | 28.3 | Very low | 32.7 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | trans | -168.3 | 75.7 | 155.3 | -74.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 30 | F | 28.9 | Very low | 33.5 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 53% | 0.526 | 75% | 0.745 | S | S | . | * | trans | -161.5 | 70 | 152.9 | -137.3 | -109.9 | 0 | 0 | 0 | 111.8 | Q32 | F30-Q32 HydrophobicContact CD1-CB 3.71Å; F30-Q32 HydrophobicContact CD1-CG 4.01Å; F30-Q32 HydrophobicContact CD2-CG 3.97Å; F30-Q32 HydrophobicContact CE1-CB 3.37Å; F30-Q32 HydrophobicContact CE1-CG 3.66Å; F30-Q32 HydrophobicContact CE2-CB 4.27Å; F30-Q32 HydrophobicContact CE2-CG 3.58Å; F30-Q32 HydrophobicContact CG-CB 4.35Å; F30-Q32 HydrophobicContact CG-CG 4.2Å; F30-Q32 HydrophobicContact CZ-CB 3.69Å; F30-Q32 HydrophobicContact CZ-CG 3.44Å; F30-Q32 VanDerWaalsContact CZ-CG 3.44Å; F30-Q32 PolarHBondContact O-N 3.11Å | ||
| 31 | S | 35.2 | Very low | 34.1 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | trans | -79.6 | 80.8 | 141.3 | 57.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 32 | Q | 31.2 | Very low | 34.4 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 58% | 0.579 | 76% | 0.757 | S | S | * | * | trans | -117.1 | 141.8 | 150.5 | -59.7 | -167.3 | -8.7 | 0 | 0 | 108.9 | F30 G34 | F30-Q32 HydrophobicContact CD1-CB 3.71Å; F30-Q32 HydrophobicContact CD1-CG 4.01Å; F30-Q32 HydrophobicContact CD2-CG 3.97Å; F30-Q32 HydrophobicContact CE1-CB 3.37Å; F30-Q32 HydrophobicContact CE1-CG 3.66Å; F30-Q32 HydrophobicContact CE2-CB 4.27Å; F30-Q32 HydrophobicContact CE2-CG 3.58Å; F30-Q32 HydrophobicContact CG-CB 4.35Å; F30-Q32 HydrophobicContact CG-CG 4.2Å; F30-Q32 HydrophobicContact CZ-CB 3.69Å; F30-Q32 HydrophobicContact CZ-CG 3.44Å; F30-Q32 VanDerWaalsContact CZ-CG 3.44Å; F30-Q32 PolarHBondContact O-N 3.11Å; Q32-G34 VanDerWaalsContact C-N 3.34Å; Q32-G34 PolarHBondContact O-N 2.77Å; Q32-G34 VanDerWaalsContact O-N 3.11Å | ||
| 33 | P | 39.9 | Very low | 35.5 | Very low | 142 Ų | 142 | 140 Ų | 140 | 92% | 0.922 | 74% | 0.744 | S | S | * | * | trans | -75.8 | 94.8 | 160.6 | 32.2 | -25.7 | 0 | 0 | 0 | 106.4 | ||||
| 34 | G | 29 | Very low | 36.4 | Very low | 38 Ų | 38 | 138.9 Ų | 138.9 | 39% | 0.392 | 74% | 0.737 | S | S | . | * | trans | -156.4 | 105.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q32 H36 | Q32-G34 VanDerWaalsContact C-N 3.34Å; Q32-G34 PolarHBondContact O-N 2.77Å; Q32-G34 VanDerWaalsContact O-N 3.11Å; G34-H36 PolarHBondContact O-N 2.83Å | ||
| 35 | Y | 39.5 | Very low | 37.4 | Very low | 241 Ų | 241 | 131.6 Ų | 131.6 | 95% | 0.945 | 71% | 0.708 | S | S | * | * | trans | -44.3 | 99.5 | 168.6 | -82.9 | -99.1 | 0 | 0 | 0 | 110.7 | K37 | Y35-K37 PolarHBondContact O-N 2.86Š| ||
| 36 | H | 34.3 | Very low | 38.2 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 72% | 0.722 | 69% | 0.691 | S | S | * | * | trans | -88.2 | 90.7 | 167.2 | -106.3 | -84.4 | 0 | 0 | 0 | 108.8 | G34 G38 | G34-H36 PolarHBondContact O-N 2.83Å; H36-G38 PolarHBondContact O-N 3.47Å | ||
| 37 | K | 38.9 | Very low | 39.6 | Very low | 219 Ų | 219 | 122.9 Ų | 122.9 | 95% | 0.952 | 66% | 0.657 | S | S | * | * | trans | -69.1 | 78.8 | 148.2 | -102.5 | 178.5 | 171.3 | 177.9 | 0 | 106.9 | Y35 | Y35-K37 PolarHBondContact O-N 2.86Š| ||
| 38 | G | 35.5 | Very low | 40.4 | Very low | 50 Ų | 50 | 122.6 Ų | 122.6 | 52% | 0.515 | 66% | 0.655 | S | S | . | * | trans | -110.9 | 140.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | H36 | H36-G38 PolarHBondContact O-N 3.47Š| ||
| 39 | L | 44 | Very low | 41.5 | Very low | 156 Ų | 156 | 117.9 Ų | 117.9 | 82% | 0.817 | 65% | 0.645 | S | S | * | * | trans | -55.1 | 140.3 | -175.3 | -68.9 | 149.4 | 0 | 0 | 0 | 111.7 | F41 | L39-F41 PolarHBondContact O-N 3.07Š| ||
| 40 | S | 45.4 | Very low | 43 | Very low | 89 Ų | 89 | 116.7 Ų | 116.7 | 62% | 0.622 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | -2.6 | -174.2 | -173.7 | 0 | 0 | 0 | 0 | 117.4 | ||
| 41 | F | 41.3 | Very low | 44.6 | Very low | 199 Ų | 199 | 114.5 Ų | 114.5 | 87% | 0.873 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -17.3 | -172.1 | -85.5 | -83.7 | 0 | 0 | 0 | 114.6 | L39 | L39-F41 PolarHBondContact O-N 3.07Š|
| 42 | D | 42.8 | Very low | 45.8 | Very low | 146 Ų | 146 | 110.8 Ų | 110.8 | 78% | 0.781 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -98.7 | 6.8 | -177 | -63.6 | -37.7 | 0 | 0 | 0 | 113.8 | I44 | D42-I44 PolarHBondContact O-N 3.44Š|
| 43 | Y | 47.6 | Very low | 47.1 | Very low | 86 Ų | 86 | 109.2 Ų | 109.2 | 34% | 0.337 | 59% | 0.59 | S | S | . | * | trans | -75.1 | 98.8 | 178.9 | -174.9 | -97.8 | 0 | 0 | 0 | 110.8 | P45 T53 D54 | Y43-P45 HydrophobicContact CE1-CB 3.78Å; Y43-T53 PolarHBondContact OH-O 3.4Å; Y43-D54 HydrophobicContact CD1-CB 4.42Å; Y43-D54 HydrophobicContact CE1-CB 3.82Å; Y43-D54 WeakPolarHBondContact CE2-OD1 3.36Å | ||
| 44 | I | 51 | Low | 48 | Very low | 151 Ų | 151 | 104.6 Ų | 104.6 | 77% | 0.774 | 56% | 0.558 | S | S | * | * | trans | -89 | 113.5 | 162.6 | -58.6 | 173.6 | 0 | 0 | 0 | 106.4 | D42 N46 | D42-I44 PolarHBondContact O-N 3.44Å; I44-N46 PolarHBondContact O-N 3.41Å | ||
| 45 | P | 51.3 | Low | 49.3 | Very low | 35 Ų | 35 | 107.3 Ų | 107.3 | 23% | 0.227 | 58% | 0.576 | C | S | . | * | trans | -57.4 | 132.9 | 179.1 | 21.5 | -30.9 | 0 | 0 | 0 | 109.9 | Y43 I47 | Y43-P45 HydrophobicContact CE1-CB 3.78Å; P45-I47 HydrophobicContact CB-CG1 4.15Å; P45-I47 HydrophobicContact CG-CD1 4.31Å; P45-I47 HydrophobicContact CG-CG1 4.12Å; P45-I47 WeakPolarHBondContact O-CG1 3.05Å; P45-I47 PolarHBondContact O-N 3.27Å | ||
| 46 | N | 50 | Low | 50.2 | Low | 96 Ų | 96 | 98.8 Ų | 98.8 | 51% | 0.513 | 55% | 0.552 | S | S | . | * | trans | -78.4 | 79.2 | 174.3 | -168.6 | -9.6 | 0 | 0 | 0 | 109.6 | I44 S48 A49 | I44-N46 PolarHBondContact O-N 3.41Å; N46-S48 PolarHBondContact O-N 3.08Å; N46-S48 VanDerWaalsContact O-N 3.15Å; N46-S48 PolarHBondContact OD1-N 2.67Å; N46-S48 PolarHBondContact OD1-OG 2.96Å; N46-A49 PolarHBondContact O-N 3.21Å | ||
| 47 | I | 53 | Low | 51.6 | Low | 19 Ų | 19 | 93.1 Ų | 93.1 | 10% | 0.097 | 53% | 0.526 | C | S | . | . | G | 310 helix | trans | -68.5 | -14.3 | -174.5 | -52 | 152 | 0 | 0 | 0 | 111.7 | P45 A49 N50 V162 M163 V166 | P45-I47 HydrophobicContact CB-CG1 4.15Å; P45-I47 HydrophobicContact CG-CD1 4.31Å; P45-I47 HydrophobicContact CG-CG1 4.12Å; P45-I47 WeakPolarHBondContact O-CG1 3.05Å; P45-I47 PolarHBondContact O-N 3.27Å; I47-A49 PolarHBondContact O-N 3.02Å; I47-N50 PolarHBondContact O-N 3.45Å; I47-N50 VanDerWaalsContact O-N 3.15Å; I47-V162 HydrophobicContact CG2-CG1 4.12Å; I47-M163 HydrophobicContact CB-CE 4.39Å; I47-M163 HydrophobicContact CB-CG 4.43Å; I47-M163 HydrophobicContact CB-SD 3.35Å; I47-M163 WeakPolarHBondContact CB-SD 3.2Å; I47-M163 HydrophobicContact CD1-SD 3.6Å; I47-M163 VanDerWaalsContact CD1-SD 3.6Å; I47-M163 HydrophobicContact CG1-SD 4.07Å; I47-M163 HydrophobicContact CG2-CG 3.66Å; I47-M163 HydrophobicContact CG2-SD 3.18Å; I47-M163 WeakPolarHBondContact CG2-SD 3.36Å; I47-V166 HydrophobicContact CD1-CB 4.09Å; I47-V166 HydrophobicContact CD1-CG1 3.7Å |
| 48 | S | 50.3 | Low | 53.4 | Low | 99 Ų | 99 | 85.1 Ų | 85.1 | 69% | 0.692 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -61.9 | -25.5 | 179.2 | 74.1 | 0 | 0 | 0 | 0 | 113.5 | N46 | N46-S48 PolarHBondContact O-N 3.08Å; N46-S48 VanDerWaalsContact O-N 3.15Å; N46-S48 PolarHBondContact OD1-N 2.67Å; N46-S48 PolarHBondContact OD1-OG 2.96Å |
| 49 | A | 53.4 | Low | 55.5 | Low | 68 Ų | 68 | 92.9 Ų | 92.9 | 56% | 0.562 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -98 | 4.3 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | N46 I47 D51 | N46-A49 PolarHBondContact O-N 3.21Å; I47-A49 PolarHBondContact O-N 3.02Å; A49-D51 HydrophobicContact CB-CB 4.22Å; A49-D51 PolarHBondContact O-N 2.88Å; A49-D51 VanDerWaalsContact O-N 3.12Å |
| 50 | N | 60.6 | Low | 57.3 | Low | 88 Ų | 88 | 91.1 Ų | 91.1 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 27.4 | -163.8 | -62.2 | -56.2 | 0 | 0 | 0 | 112.4 | I47 F52 | I47-N50 PolarHBondContact O-N 3.45Å; I47-N50 VanDerWaalsContact O-N 3.15Å; N50-F52 HydrophobicContact CB-CE2 3.8Å; N50-F52 HydrophobicContact CB-CZ 4.04Å; N50-F52 WeakPolarHBondContact O-CD2 3.49Å; N50-F52 WeakPolarHBondContact O-CE2 3.26Å; N50-F52 PolarHBondContact O-N 2.62Å |
| 51 | D | 61.3 | Low | 59 | Low | 74 Ų | 74 | 89 Ų | 89 | 40% | 0.396 | 50% | 0.5 | S | S | . | . | trans | -83.2 | 97.9 | 175.7 | -168.7 | -1.9 | 0 | 0 | 0 | 108.4 | A49 T53 | A49-D51 HydrophobicContact CB-CB 4.22Å; A49-D51 PolarHBondContact O-N 2.88Å; A49-D51 VanDerWaalsContact O-N 3.12Å; D51-T53 WeakPolarHBondContact OD1-CB 3.44Å; D51-T53 PolarHBondContact OD1-N 2.85Å; D51-T53 PolarHBondContact OD1-OG1 3.16Å | ||
| 52 | F | 61.1 | Low | 61 | Low | 50 Ų | 50 | 86.1 Ų | 86.1 | 22% | 0.219 | 48% | 0.483 | C | S | . | . | trans | -88.7 | 7.4 | 177 | -52.3 | -73.4 | 0 | 0 | 0 | 111.7 | N50 V105 P107 V162 | N50-F52 HydrophobicContact CB-CE2 3.8Å; N50-F52 HydrophobicContact CB-CZ 4.04Å; N50-F52 WeakPolarHBondContact O-CD2 3.49Å; N50-F52 WeakPolarHBondContact O-CE2 3.26Å; N50-F52 PolarHBondContact O-N 2.62Å; F52-V105 HydrophobicContact CD1-CG1 4.21Å; F52-V105 HydrophobicContact CD1-CG2 4.42Å; F52-P107 HydrophobicContact CD2-CB 3.69Å; F52-P107 HydrophobicContact CD2-CG 4.44Å; F52-P107 HydrophobicContact CE2-CB 3.77Å; F52-P107 HydrophobicContact CG-CB 4.34Å; F52-V162 HydrophobicContact CE1-CB 4.49Å; F52-V162 HydrophobicContact CE1-CG1 4.13Å; F52-V162 HydrophobicContact CE1-CG2 4.09Å; F52-V162 HydrophobicContact CZ-CG2 4.31Å | ||
| 53 | T | 58.9 | Low | 63.1 | Low | 91 Ų | 91 | 83 Ų | 83 | 56% | 0.558 | 47% | 0.466 | S | S | * | . | trans | -91.2 | 110.8 | 179.5 | 70 | 0 | 0 | 0 | 0 | 110.5 | Y43 D51 A55 | Y43-T53 PolarHBondContact OH-O 3.4Å; D51-T53 WeakPolarHBondContact OD1-CB 3.44Å; D51-T53 PolarHBondContact OD1-N 2.85Å; D51-T53 PolarHBondContact OD1-OG1 3.16Å; T53-A55 PolarHBondContact O-N 2.8Å; T53-A55 VanDerWaalsContact O-N 3.11Å | ||
| 54 | D | 58 | Low | 64.9 | Low | 46 Ų | 46 | 82.2 Ų | 82.2 | 25% | 0.246 | 47% | 0.472 | C | S | . | . | trans | -81.3 | 87.2 | 170.9 | -177.5 | 7.9 | 0 | 0 | 0 | 109.6 | Y43 S56 Q57 | Y43-D54 HydrophobicContact CD1-CB 4.42Å; Y43-D54 HydrophobicContact CE1-CB 3.82Å; Y43-D54 WeakPolarHBondContact CE2-OD1 3.36Å; D54-S56 PolarHBondContact O-N 2.85Å; D54-S56 VanDerWaalsContact OD1-CB 3.25Å; D54-S56 WeakPolarHBondContact OD1-CB 3.49Å; D54-S56 PolarHBondContact OD1-N 3.2Å; D54-S56 VanDerWaalsContact OD1-N 3.12Å; D54-S56 PolarHBondContact OD1-OG 3.03Å; D54-Q57 PolarHBondContact OD2-NE2 3.16Å | ||
| 55 | A | 58 | Low | 66.6 | Low | 94 Ų | 94 | 76.3 Ų | 76.3 | 78% | 0.777 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -3.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T53 Q57 | T53-A55 PolarHBondContact O-N 2.8Å; T53-A55 VanDerWaalsContact O-N 3.11Å; A55-Q57 PolarHBondContact O-N 3.4Å |
| 56 | S | 57.8 | Low | 68.3 | Low | 62 Ų | 62 | 78.3 Ų | 78.3 | 43% | 0.434 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -10.5 | -179.2 | 76.8 | 0 | 0 | 0 | 0 | 113.4 | D54 | D54-S56 PolarHBondContact O-N 2.85Å; D54-S56 VanDerWaalsContact OD1-CB 3.25Å; D54-S56 WeakPolarHBondContact OD1-CB 3.49Å; D54-S56 PolarHBondContact OD1-N 3.2Å; D54-S56 VanDerWaalsContact OD1-N 3.12Å; D54-S56 PolarHBondContact OD1-OG 3.03Å |
| 57 | Q | 63.8 | Low | 70.2 | Confident | 37 Ų | 37 | 78.6 Ų | 78.6 | 17% | 0.173 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -84 | 124.3 | -173.2 | -72.6 | 179.7 | 30.9 | 0 | 0 | 112.8 | D54 A55 S61 R104 | D54-Q57 PolarHBondContact OD2-NE2 3.16Å; A55-Q57 PolarHBondContact O-N 3.4Å; Q57-S61 PolarHBondContact OE1-OG 2.87Å; Q57-R104 VanDerWaalsContact CD-CZ 3.49Å; Q57-R104 VanDerWaalsContact CD-NH2 3.31Å; Q57-R104 VanDerWaalsContact NE2-NE 3.12Å; Q57-R104 VanDerWaalsContact NE2-NH2 3.11Å; Q57-R104 VanDerWaalsContact OE1-NH1 3.09Å |
| 58 | G | 75.6 | Confident | 71.9 | Confident | 52 Ų | 52 | 80.2 Ų | 80.2 | 54% | 0.536 | 46% | 0.462 | S | S | . | . | trans | -56.3 | 148.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V60 S61 W62 | G58-V60 PolarHBondContact O-N 3.41Å; G58-S61 WeakPolarHBondContact O-CB 3.35Å; G58-S61 PolarHBondContact O-N 3.49Å; G58-W62 PolarHBondContact O-N 3.03Å | ||
| 59 | W | 80.4 | Confident | 73.7 | Confident | 213 Ų | 213 | 76.6 Ų | 76.6 | 81% | 0.807 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -54.9 | -29.2 | -171.6 | -134.2 | 4.9 | 0 | 0 | 0 | 113.9 | W62 I63 | W59-W62 PolarHBondContact O-N 3.41Å; W59-I63 WeakPolarHBondContact O-CD1 3.36Å; W59-I63 VanDerWaalsContact O-CG1 3.24Å; W59-I63 WeakPolarHBondContact O-CG1 3.46Å; W59-I63 PolarHBondContact O-N 3.01Å |
| 60 | V | 82.5 | Confident | 75.5 | Confident | 118 Ų | 118 | 79.8 Ų | 79.8 | 72% | 0.715 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66 | -40.4 | 176.2 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | G58 W62 I63 C64 | G58-V60 PolarHBondContact O-N 3.41Å; V60-W62 VanDerWaalsContact C-N 3.31Å; V60-W62 PolarHBondContact O-N 2.89Å; V60-I63 PolarHBondContact O-N 2.95Å; V60-C64 VanDerWaalsContact O-CB 3.3Å; V60-C64 WeakPolarHBondContact O-CB 3.31Å; V60-C64 PolarHBondContact O-N 2.87Å |
| 61 | S | 80.8 | Confident | 76.9 | Confident | 44 Ų | 44 | 80.8 Ų | 80.8 | 31% | 0.308 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 175.9 | 172 | 0 | 0 | 0 | 0 | 110.9 | Q57 G58 C64 N65 | Q57-S61 PolarHBondContact OE1-OG 2.87Å; G58-S61 WeakPolarHBondContact O-CB 3.35Å; G58-S61 PolarHBondContact O-N 3.49Å; S61-C64 PolarHBondContact O-N 3.2Å; S61-N65 WeakPolarHBondContact O-CB 3.47Å; S61-N65 PolarHBondContact O-N 3.39Å |
| 62 | W | 82.4 | Confident | 78.2 | Confident | 139 Ų | 139 | 78.3 Ų | 78.3 | 53% | 0.527 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 176.3 | -172.8 | 81.4 | 0 | 0 | 0 | 111.6 | G58 W59 V60 C64 N65 L66 | G58-W62 PolarHBondContact O-N 3.03Å; W59-W62 PolarHBondContact O-N 3.41Å; V60-W62 VanDerWaalsContact C-N 3.31Å; V60-W62 PolarHBondContact O-N 2.89Å; W62-C64 PolarHBondContact O-N 3.22Å; W62-N65 PolarHBondContact O-N 2.84Å; W62-L66 HydrophobicContact CD2-CD1 4.08Å; W62-L66 HydrophobicContact CD2-CG 4.46Å; W62-L66 HydrophobicContact CE3-CD1 3.87Å; W62-L66 HydrophobicContact CH2-CD1 3.43Å; W62-L66 VanDerWaalsContact CH2-CD1 3.43Å; W62-L66 HydrophobicContact CZ2-CD1 3.65Å; W62-L66 HydrophobicContact CZ2-CG 4.47Å; W62-L66 HydrophobicContact CZ3-CD1 3.54Å; W62-L66 WeakPolarHBondContact O-CG 3.48Å; W62-L66 PolarHBondContact O-N 3.19Å |
| 63 | I | 86.5 | Confident | 79.5 | Confident | 81 Ų | 81 | 80.6 Ų | 80.6 | 42% | 0.415 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 176.7 | -65.9 | 161.2 | 0 | 0 | 0 | 111.1 | W59 V60 N65 L66 I67 | W59-I63 WeakPolarHBondContact O-CD1 3.36Å; W59-I63 VanDerWaalsContact O-CG1 3.24Å; W59-I63 WeakPolarHBondContact O-CG1 3.46Å; W59-I63 PolarHBondContact O-N 3.01Å; V60-I63 PolarHBondContact O-N 2.95Å; I63-N65 PolarHBondContact O-N 2.54Å; I63-L66 PolarHBondContact O-N 2.99Å; I63-I67 HydrophobicContact CG2-CD1 3.81Å; I63-I67 HydrophobicContact CG2-CG1 4.4Å; I63-I67 VanDerWaalsContact O-CG1 3.31Å; I63-I67 WeakPolarHBondContact O-CG1 3.43Å; I63-I67 PolarHBondContact O-N 3.21Å |
| 64 | C | 86.2 | Confident | 81 | Confident | 70 Ų | 70 | 79.8 Ų | 79.8 | 47% | 0.473 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 177.3 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | V60 S61 W62 L66 I67 V68 | V60-C64 VanDerWaalsContact O-CB 3.3Å; V60-C64 WeakPolarHBondContact O-CB 3.31Å; V60-C64 PolarHBondContact O-N 2.87Å; S61-C64 PolarHBondContact O-N 3.2Å; W62-C64 PolarHBondContact O-N 3.22Å; C64-L66 VanDerWaalsContact C-N 3.32Å; C64-L66 PolarHBondContact O-N 3.35Å; C64-I67 PolarHBondContact O-N 3.45Å; C64-V68 WeakPolarHBondContact O-CG2 3.36Å; C64-V68 PolarHBondContact O-N 2.86Å |
| 65 | N | 85.8 | Confident | 82.4 | Confident | 27 Ų | 27 | 81.2 Ų | 81.2 | 14% | 0.144 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -59.8 | -43 | 176.1 | -174.9 | -94 | 0 | 0 | 0 | 111.8 | S61 W62 I63 V68 I69 L102 R104 | S61-N65 WeakPolarHBondContact O-CB 3.47Å; S61-N65 PolarHBondContact O-N 3.39Å; W62-N65 PolarHBondContact O-N 2.84Å; I63-N65 PolarHBondContact O-N 2.54Å; N65-V68 PolarHBondContact O-N 2.86Å; N65-I69 WeakPolarHBondContact O-CB 3.31Å; N65-I69 VanDerWaalsContact O-CG1 3.23Å; N65-I69 WeakPolarHBondContact O-CG1 3.19Å; N65-I69 PolarHBondContact O-N 3.2Å; N65-I69 WeakPolarHBondContact OD1-CD1 3.17Å; N65-L102 VanDerWaalsContact ND2-CD1 3.26Å; N65-L102 WeakPolarHBondContact ND2-CD1 3.14Å; N65-R104 PolarHBondContact ND2-NH1 3.21Å |
| 66 | L | 87 | Confident | 83.8 | Confident | 76 Ų | 76 | 77.7 Ų | 77.7 | 40% | 0.398 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.5 | -72.6 | -172.4 | 0 | 0 | 0 | 112.6 | W62 I63 C64 I69 F70 | W62-L66 HydrophobicContact CD2-CD1 4.08Å; W62-L66 HydrophobicContact CD2-CG 4.46Å; W62-L66 HydrophobicContact CE3-CD1 3.87Å; W62-L66 HydrophobicContact CH2-CD1 3.43Å; W62-L66 VanDerWaalsContact CH2-CD1 3.43Å; W62-L66 HydrophobicContact CZ2-CD1 3.65Å; W62-L66 HydrophobicContact CZ2-CG 4.47Å; W62-L66 HydrophobicContact CZ3-CD1 3.54Å; W62-L66 WeakPolarHBondContact O-CG 3.48Å; W62-L66 PolarHBondContact O-N 3.19Å; I63-L66 PolarHBondContact O-N 2.99Å; C64-L66 VanDerWaalsContact C-N 3.32Å; C64-L66 PolarHBondContact O-N 3.35Å; L66-I69 PolarHBondContact O-N 3.24Å; L66-F70 VanDerWaalsContact O-CB 3.25Å; L66-F70 WeakPolarHBondContact O-CB 3.28Å; L66-F70 PolarHBondContact O-N 2.86Å |
| 67 | I | 91 | Very high | 85.1 | Confident | 103 Ų | 103 | 82.3 Ų | 82.3 | 53% | 0.528 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 177.1 | -68.8 | 166.1 | 0 | 0 | 0 | 110.5 | I63 C64 F70 L71 | I63-I67 HydrophobicContact CG2-CD1 3.81Å; I63-I67 HydrophobicContact CG2-CG1 4.4Å; I63-I67 VanDerWaalsContact O-CG1 3.31Å; I63-I67 WeakPolarHBondContact O-CG1 3.43Å; I63-I67 PolarHBondContact O-N 3.21Å; C64-I67 PolarHBondContact O-N 3.45Å; I67-F70 PolarHBondContact O-N 3.48Å; I67-L71 WeakPolarHBondContact O-CB 3.48Å; I67-L71 PolarHBondContact O-N 3.38Å |
| 68 | V | 89.4 | Confident | 86.3 | Confident | 53 Ų | 53 | 87 Ų | 87 | 32% | 0.321 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 178.1 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | C64 N65 F70 L71 V72 L102 | C64-V68 WeakPolarHBondContact O-CG2 3.36Å; C64-V68 PolarHBondContact O-N 2.86Å; N65-V68 PolarHBondContact O-N 2.86Å; V68-F70 VanDerWaalsContact C-N 3.33Å; V68-F70 PolarHBondContact O-N 2.94Å; V68-L71 PolarHBondContact O-N 2.97Å; V68-V72 WeakPolarHBondContact O-CG2 3.19Å; V68-V72 PolarHBondContact O-N 3.42Å; V68-L102 HydrophobicContact CB-CD1 4.44Å; V68-L102 HydrophobicContact CG1-CD1 3.96Å; V68-L102 HydrophobicContact CG1-CD2 4.26Å |
| 69 | I | 87.8 | Confident | 86.7 | Confident | 22 Ų | 22 | 86.4 Ų | 86.4 | 11% | 0.113 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 177.2 | -70.9 | 170.8 | 0 | 0 | 0 | 110.3 | N65 L66 L71 V72 Y73 L102 I120 | N65-I69 WeakPolarHBondContact O-CB 3.31Å; N65-I69 VanDerWaalsContact O-CG1 3.23Å; N65-I69 WeakPolarHBondContact O-CG1 3.19Å; N65-I69 PolarHBondContact O-N 3.2Å; N65-I69 WeakPolarHBondContact OD1-CD1 3.17Å; L66-I69 PolarHBondContact O-N 3.24Å; I69-L71 PolarHBondContact O-N 3.48Å; I69-V72 PolarHBondContact O-N 3.44Å; I69-Y73 HydrophobicContact CG2-CD2 3.61Å; I69-Y73 HydrophobicContact CG2-CE2 3.58Å; I69-Y73 VanDerWaalsContact O-CD2 3.26Å; I69-Y73 WeakPolarHBondContact O-CD2 3.21Å; I69-Y73 PolarHBondContact O-N 3.04Å; I69-L102 HydrophobicContact CG1-CD1 4.39Å; I69-I120 HydrophobicContact CG1-CD1 4.49Å |
| 70 | F | 91.2 | Very high | 86.4 | Confident | 135 Ų | 135 | 83.1 Ų | 83.1 | 59% | 0.592 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.2 | -44.4 | 179.8 | -178.2 | -107.2 | 0 | 0 | 0 | 112.3 | L66 I67 V68 V72 Y73 I74 | L66-F70 VanDerWaalsContact O-CB 3.25Å; L66-F70 WeakPolarHBondContact O-CB 3.28Å; L66-F70 PolarHBondContact O-N 2.86Å; I67-F70 PolarHBondContact O-N 3.48Å; V68-F70 VanDerWaalsContact C-N 3.33Å; V68-F70 PolarHBondContact O-N 2.94Å; F70-V72 PolarHBondContact O-N 3.05Å; F70-Y73 WeakPolarHBondContact O-CB 3.43Å; F70-Y73 PolarHBondContact O-N 3.12Å; F70-I74 HydrophobicContact CD1-CD1 3.65Å; F70-I74 HydrophobicContact CE1-CD1 3.19Å; F70-I74 HydrophobicContact CE1-CG1 4.27Å; F70-I74 HydrophobicContact CE2-CD1 4.27Å; F70-I74 HydrophobicContact CG-CD1 4.37Å; F70-I74 HydrophobicContact CZ-CD1 3.55Å; F70-I74 HydrophobicContact CZ-CG1 4.29Å; F70-I74 WeakPolarHBondContact O-CG1 3.18Å; F70-I74 PolarHBondContact O-N 3.46Å |
| 71 | L | 90.3 | Very high | 86.1 | Confident | 110 Ų | 110 | 83 Ų | 83 | 58% | 0.576 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.2 | -43.4 | 176.8 | -169.9 | 158.7 | 0 | 0 | 0 | 111.5 | I67 V68 I69 Y73 I74 C75 | I67-L71 WeakPolarHBondContact O-CB 3.48Å; I67-L71 PolarHBondContact O-N 3.38Å; V68-L71 PolarHBondContact O-N 2.97Å; I69-L71 PolarHBondContact O-N 3.48Å; L71-Y73 VanDerWaalsContact C-N 3.35Å; L71-I74 PolarHBondContact O-N 2.85Å; L71-C75 WeakPolarHBondContact O-CB 3.3Å; L71-C75 PolarHBondContact O-N 3.49Å |
| 72 | V | 88.1 | Confident | 85.9 | Confident | 22 Ų | 22 | 86.6 Ų | 86.6 | 13% | 0.133 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 177.8 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | V68 I69 F70 C75 T76 L117 I120 | V68-V72 WeakPolarHBondContact O-CG2 3.19Å; V68-V72 PolarHBondContact O-N 3.42Å; I69-V72 PolarHBondContact O-N 3.44Å; F70-V72 PolarHBondContact O-N 3.05Å; V72-C75 PolarHBondContact O-N 3.41Å; V72-T76 WeakPolarHBondContact O-CB 3.34Å; V72-T76 PolarHBondContact O-N 3.29Å; V72-T76 PolarHBondContact O-OG1 3.12Å; V72-L117 HydrophobicContact CG1-CB 4.38Å; V72-I120 HydrophobicContact CB-CD1 4.04Å; V72-I120 HydrophobicContact CG1-CD1 3.86Å; V72-I120 HydrophobicContact CG1-CG1 4.05Å; V72-I120 HydrophobicContact CG1-CG2 4.5Å; V72-I120 HydrophobicContact CG2-CD1 4.21Å; V72-I120 HydrophobicContact CG2-CG2 3.82Å |
| 73 | Y | 88.8 | Confident | 85.8 | Confident | 97 Ų | 97 | 81.1 Ų | 81.1 | 38% | 0.38 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 171.7 | -91.7 | -71.5 | 0 | 0 | 0 | 112 | I69 F70 L71 T76 F77 L115 L117 | I69-Y73 HydrophobicContact CG2-CD2 3.61Å; I69-Y73 HydrophobicContact CG2-CE2 3.58Å; I69-Y73 VanDerWaalsContact O-CD2 3.26Å; I69-Y73 WeakPolarHBondContact O-CD2 3.21Å; I69-Y73 PolarHBondContact O-N 3.04Å; F70-Y73 WeakPolarHBondContact O-CB 3.43Å; F70-Y73 PolarHBondContact O-N 3.12Å; L71-Y73 VanDerWaalsContact C-N 3.35Å; Y73-T76 PolarHBondContact O-N 3.19Å; Y73-F77 WeakPolarHBondContact O-CB 3.47Å; Y73-F77 PolarHBondContact O-N 2.99Å; Y73-L115 HydrophobicContact CE1-CD2 4.02Å; Y73-L117 HydrophobicContact CD1-CD2 4.08Å; Y73-L117 HydrophobicContact CD2-CD1 4.25Å; Y73-L117 HydrophobicContact CE1-CD1 4.41Å; Y73-L117 HydrophobicContact CE1-CD2 3.83Å; Y73-L117 HydrophobicContact CE2-CD1 3.73Å |
| 74 | I | 90.1 | Very high | 85.3 | Confident | 74 Ų | 74 | 78.7 Ų | 78.7 | 38% | 0.379 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.9 | -48 | 176 | -71.7 | 169.8 | 0 | 0 | 0 | 110.7 | F70 L71 T76 F77 I78 | F70-I74 HydrophobicContact CD1-CD1 3.65Å; F70-I74 HydrophobicContact CE1-CD1 3.19Å; F70-I74 HydrophobicContact CE1-CG1 4.27Å; F70-I74 HydrophobicContact CE2-CD1 4.27Å; F70-I74 HydrophobicContact CG-CD1 4.37Å; F70-I74 HydrophobicContact CZ-CD1 3.55Å; F70-I74 HydrophobicContact CZ-CG1 4.29Å; F70-I74 WeakPolarHBondContact O-CG1 3.18Å; F70-I74 PolarHBondContact O-N 3.46Å; L71-I74 PolarHBondContact O-N 2.85Å; I74-T76 VanDerWaalsContact C-N 3.31Å; I74-T76 PolarHBondContact O-N 3.2Å; I74-F77 WeakPolarHBondContact O-CB 3.32Å; I74-F77 PolarHBondContact O-N 2.79Å; I74-F77 VanDerWaalsContact O-N 3.14Å; I74-I78 HydrophobicContact CG2-CD1 3.59Å; I74-I78 HydrophobicContact CG2-CG1 4.28Å; I74-I78 WeakPolarHBondContact O-CG1 3.29Å; I74-I78 PolarHBondContact O-N 2.96Å |
| 75 | C | 87.3 | Confident | 84.9 | Confident | 77 Ų | 77 | 86.2 Ų | 86.2 | 52% | 0.52 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 178.5 | -171.1 | 0 | 0 | 0 | 0 | 111.6 | L71 V72 F77 I78 A79 | L71-C75 WeakPolarHBondContact O-CB 3.3Å; L71-C75 PolarHBondContact O-N 3.49Å; V72-C75 PolarHBondContact O-N 3.41Å; C75-F77 VanDerWaalsContact C-N 3.3Å; C75-F77 PolarHBondContact O-N 3.36Å; C75-I78 PolarHBondContact O-N 3.02Å; C75-A79 PolarHBondContact O-N 3.02Å |
| 76 | T | 86.6 | Confident | 84.5 | Confident | 20 Ų | 20 | 90.6 Ų | 90.6 | 12% | 0.123 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 175.9 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | V72 Y73 I74 T83 V87 | V72-T76 WeakPolarHBondContact O-CB 3.34Å; V72-T76 PolarHBondContact O-N 3.29Å; V72-T76 PolarHBondContact O-OG1 3.12Å; Y73-T76 PolarHBondContact O-N 3.19Å; I74-T76 VanDerWaalsContact C-N 3.31Å; I74-T76 PolarHBondContact O-N 3.2Å; T76-T83 PolarHBondContact O-OG1 2.98Å; T76-V87 HydrophobicContact CG2-CG2 3.65Å |
| 77 | F | 86.7 | Confident | 84.3 | Confident | 158 Ų | 158 | 87.3 Ų | 87.3 | 69% | 0.693 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -72.3 | -36.9 | 178.2 | -175.6 | -97.4 | 0 | 0 | 0 | 113 | Y73 I74 C75 A79 F80 | Y73-F77 WeakPolarHBondContact O-CB 3.47Å; Y73-F77 PolarHBondContact O-N 2.99Å; I74-F77 WeakPolarHBondContact O-CB 3.32Å; I74-F77 PolarHBondContact O-N 2.79Å; I74-F77 VanDerWaalsContact O-N 3.14Å; C75-F77 VanDerWaalsContact C-N 3.3Å; C75-F77 PolarHBondContact O-N 3.36Å; F77-A79 VanDerWaalsContact C-N 3.28Å; F77-A79 PolarHBondContact O-N 3.03Å; F77-F80 WeakPolarHBondContact O-CB 3.29Å; F77-F80 PolarHBondContact O-N 2.93Å |
| 78 | I | 87 | Confident | 84 | Confident | 135 Ų | 135 | 86.9 Ų | 86.9 | 69% | 0.692 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -67 | -32.4 | 176.8 | -68.1 | 168 | 0 | 0 | 0 | 111 | I74 C75 F80 | I74-I78 HydrophobicContact CG2-CD1 3.59Å; I74-I78 HydrophobicContact CG2-CG1 4.28Å; I74-I78 WeakPolarHBondContact O-CG1 3.29Å; I74-I78 PolarHBondContact O-N 2.96Å; C75-I78 PolarHBondContact O-N 3.02Å; I78-F80 VanDerWaalsContact C-N 3.29Å; I78-F80 PolarHBondContact O-N 2.85Å |
| 79 | A | 85.9 | Confident | 83.9 | Confident | 40 Ų | 40 | 86.9 Ų | 86.9 | 33% | 0.331 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 23.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | C75 F77 P81 V82 T83 | C75-A79 PolarHBondContact O-N 3.02Å; F77-A79 VanDerWaalsContact C-N 3.28Å; F77-A79 PolarHBondContact O-N 3.03Å; A79-P81 WeakPolarHBondContact O-CD 3.49Å; A79-V82 PolarHBondContact O-N 2.92Å; A79-V82 VanDerWaalsContact O-N 3.12Å; A79-T83 HydrophobicContact CB-CG2 3.51Å; A79-T83 PolarHBondContact O-N 3.34Å; A79-T83 PolarHBondContact O-OG1 3.03Å |
| 80 | F | 74.3 | Confident | 84 | Confident | 145 Ų | 145 | 90.7 Ų | 90.7 | 64% | 0.636 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 55.3 | -164.6 | -175.9 | -102.9 | 0 | 0 | 0 | 116.1 | F77 I78 | F77-F80 WeakPolarHBondContact O-CB 3.29Å; F77-F80 PolarHBondContact O-N 2.93Å; I78-F80 VanDerWaalsContact C-N 3.29Å; I78-F80 PolarHBondContact O-N 2.85Å |
| 81 | P | 75.3 | Confident | 83.9 | Confident | 114 Ų | 114 | 84.4 Ų | 84.4 | 74% | 0.74 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | -128.8 | -22.1 | 123 | 30.8 | -25.9 | 0 | 0 | 0 | 113.1 | A79 | A79-P81 WeakPolarHBondContact O-CD 3.49Š| |
| 82 | V | 77.4 | Confident | 83.9 | Confident | 121 Ų | 121 | 81.1 Ų | 81.1 | 73% | 0.733 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -78 | -37.1 | -174.6 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | A79 | A79-V82 PolarHBondContact O-N 2.92Å; A79-V82 VanDerWaalsContact O-N 3.12Å |
| 83 | T | 79.4 | Confident | 84 | Confident | 24 Ų | 24 | 86.4 Ų | 86.4 | 15% | 0.147 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -76.5 | -30.7 | -177.5 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | T76 A79 W85 F86 V87 | T76-T83 PolarHBondContact O-OG1 2.98Å; A79-T83 HydrophobicContact CB-CG2 3.51Å; A79-T83 PolarHBondContact O-N 3.34Å; A79-T83 PolarHBondContact O-OG1 3.03Å; T83-W85 VanDerWaalsContact C-N 3.27Å; T83-W85 PolarHBondContact O-N 3.39Å; T83-F86 PolarHBondContact O-N 2.83Å; T83-V87 WeakPolarHBondContact O-CB 3.36Å; T83-V87 WeakPolarHBondContact O-CG2 3.31Å; T83-V87 PolarHBondContact O-N 2.88Å |
| 84 | G | 75.8 | Confident | 84 | Confident | 29 Ų | 29 | 86 Ų | 86 | 30% | 0.299 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -55.9 | -39.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L88 | G84-L88 WeakPolarHBondContact O-CB 3.41Å; G84-L88 PolarHBondContact O-N 2.91Å |
| 85 | W | 77.6 | Confident | 84.1 | Confident | 228 Ų | 228 | 84.3 Ų | 84.3 | 86% | 0.864 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -69.2 | -31 | 176.3 | -173.8 | -95.7 | 0 | 0 | 0 | 113.6 | T83 | T83-W85 VanDerWaalsContact C-N 3.27Å; T83-W85 PolarHBondContact O-N 3.39Å |
| 86 | F | 77.3 | Confident | 84.4 | Confident | 119 Ų | 119 | 83.9 Ų | 83.9 | 52% | 0.522 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -83.5 | -37 | -178.4 | -165.2 | -92.6 | 0 | 0 | 0 | 112.3 | T83 K89 P118 | T83-F86 PolarHBondContact O-N 2.83Å; F86-K89 WeakPolarHBondContact O-CE 3.48Å; F86-P118 HydrophobicContact CD1-CB 3.82Å; F86-P118 HydrophobicContact CE1-CB 3.93Å |
| 87 | V | 82.4 | Confident | 84.6 | Confident | 7 Ų | 7 | 83.1 Ų | 83.1 | 4% | 0.042 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -75.5 | -33.3 | -174.5 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | T76 T83 K89 L115 V116 P118 | T76-V87 HydrophobicContact CG2-CG2 3.65Å; T83-V87 WeakPolarHBondContact O-CB 3.36Å; T83-V87 WeakPolarHBondContact O-CG2 3.31Å; T83-V87 PolarHBondContact O-N 2.88Å; V87-K89 PolarHBondContact O-N 3.17Å; V87-L115 HydrophobicContact CB-CD1 4.46Å; V87-L115 HydrophobicContact CG1-CD1 3.29Å; V87-L115 HydrophobicContact CG1-CG 3.55Å; V87-V116 VanDerWaalsContact CA-O 3.29Å; V87-V116 WeakPolarHBondContact CA-O 3.32Å; V87-V116 WeakPolarHBondContact CG1-O 3.5Å; V87-V116 PolarHBondContact O-N 2.86Å; V87-P118 HydrophobicContact CG2-CG 4.15Å |
| 88 | L | 86 | Confident | 84.9 | Confident | 94 Ų | 94 | 75.6 Ų | 75.6 | 49% | 0.492 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 108.4 | -175.4 | -146 | 68.3 | 0 | 0 | 0 | 110.6 | G84 V113 L115 | G84-L88 WeakPolarHBondContact O-CB 3.41Å; G84-L88 PolarHBondContact O-N 2.91Å; L88-V113 HydrophobicContact CD1-CG1 3.18Å; L88-V113 HydrophobicContact CD2-CG1 3.92Å; L88-V113 HydrophobicContact CG-CG1 3.34Å; L88-L115 HydrophobicContact CD1-CD1 4.16Å |
| 89 | K | 86.9 | Confident | 85.1 | Confident | 53 Ų | 53 | 69.1 Ų | 69.1 | 23% | 0.23 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 122.9 | 177.4 | -64.7 | -64.1 | -177.6 | -174.9 | 0 | 110.6 | F86 V87 V114 | F86-K89 WeakPolarHBondContact O-CE 3.48Å; V87-K89 PolarHBondContact O-N 3.17Å; K89-V114 PolarHBondContact N-O 2.85Å; K89-V114 PolarHBondContact O-N 2.97Å |
| 90 | T | 89.1 | Confident | 85.3 | Confident | 102 Ų | 102 | 68.9 Ų | 68.9 | 63% | 0.626 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 131.7 | 172.9 | -49.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 91 | V | 90.1 | Very high | 85.9 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.024 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 128.4 | -178.7 | -175.3 | 0 | 0 | 0 | 0 | 109 | Q95 V97 G112 V114 | V91-Q95 HydrophobicContact CG1-CB 3.79Å; V91-V97 HydrophobicContact CB-CG2 4.31Å; V91-V97 HydrophobicContact CG1-CG2 3.91Å; V91-V97 HydrophobicContact CG2-CG2 3.37Å; V91-G112 PolarHBondContact N-O 2.91Å; V91-G112 PolarHBondContact O-N 3.3Å; V91-V114 HydrophobicContact CG2-CB 4.2Å; V91-V114 HydrophobicContact CG2-CG2 3.81Å |
| 92 | P | 90.3 | Very high | 86.4 | Confident | 41 Ų | 41 | 62.3 Ų | 62.3 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | trans | -72.6 | 160.9 | 178.1 | 31.1 | -35.3 | 0 | 0 | 0 | 112.3 | Y94 Q95 | P92-Y94 HydrophobicContact CB-CD1 3.95Å; P92-Y94 HydrophobicContact CB-CE1 3.48Å; P92-Y94 VanDerWaalsContact CB-CE1 3.48Å; P92-Y94 HydrophobicContact CB-CE2 4.34Å; P92-Y94 HydrophobicContact CG-CD1 4.44Å; P92-Y94 HydrophobicContact CG-CD2 4.4Å; P92-Y94 HydrophobicContact CG-CE1 3.95Å; P92-Y94 HydrophobicContact CG-CE2 3.88Å; P92-Y94 PolarHBondContact O-N 2.95Å; P92-Y94 VanDerWaalsContact O-N 3.12Å; P92-Q95 VanDerWaalsContact CD-OE1 3.32Å; P92-Q95 HydrophobicContact CG-CB 3.95Å; P92-Q95 HydrophobicContact CG-CG 3.81Å; P92-Q95 PolarHBondContact O-N 3.44Å | ||
| 93 | N | 89.3 | Confident | 86.5 | Confident | 132 Ų | 132 | 60 Ų | 60 | 71% | 0.706 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -33.5 | -175.1 | -74.2 | -36.4 | 0 | 0 | 0 | 115.4 | Q95 R96 P111 | N93-Q95 VanDerWaalsContact C-N 3.33Å; N93-R96 PolarHBondContact O-NH1 3.48Å; N93-P111 HydrophobicContact CB-CB 4.46Å; N93-P111 WeakPolarHBondContact OD1-CB 3.36Å; N93-P111 WeakPolarHBondContact OD1-CG 3.26Å |
| 94 | Y | 89.9 | Confident | 86.6 | Confident | 89 Ų | 89 | 62.9 Ų | 62.9 | 35% | 0.349 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -1.6 | -177.4 | 55.3 | -92.1 | 0 | 0 | 0 | 113.9 | P92 L128 R129 | P92-Y94 HydrophobicContact CB-CD1 3.95Å; P92-Y94 HydrophobicContact CB-CE1 3.48Å; P92-Y94 VanDerWaalsContact CB-CE1 3.48Å; P92-Y94 HydrophobicContact CB-CE2 4.34Å; P92-Y94 HydrophobicContact CG-CD1 4.44Å; P92-Y94 HydrophobicContact CG-CD2 4.4Å; P92-Y94 HydrophobicContact CG-CE1 3.95Å; P92-Y94 HydrophobicContact CG-CE2 3.88Å; P92-Y94 PolarHBondContact O-N 2.95Å; P92-Y94 VanDerWaalsContact O-N 3.12Å; Y94-L128 PolarHBondContact O-N 2.89Å; Y94-R129 VanDerWaalsContact CB-NE 3.34Å; Y94-R129 VanDerWaalsContact CE1-NH2 3.25Å; Y94-R129 VanDerWaalsContact CG-NE 3.29Å |
| 95 | Q | 92.6 | Very high | 87 | Confident | 39 Ų | 39 | 62.5 Ų | 62.5 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 155.3 | 175.4 | -69.1 | 177.4 | -2.7 | 0 | 0 | 110.7 | V91 P92 N93 V126 | V91-Q95 HydrophobicContact CG1-CB 3.79Å; P92-Q95 VanDerWaalsContact CD-OE1 3.32Å; P92-Q95 HydrophobicContact CG-CB 3.95Å; P92-Q95 HydrophobicContact CG-CG 3.81Å; P92-Q95 PolarHBondContact O-N 3.44Å; N93-Q95 VanDerWaalsContact C-N 3.33Å; Q95-V126 CarbonylContact C-O 3.57Å; Q95-V126 VanDerWaalsContact CA-O 3.31Å; Q95-V126 WeakPolarHBondContact CA-O 3.23Å |
| 96 | R | 91.7 | Very high | 87.4 | Confident | 68 Ų | 68 | 52.7 Ų | 52.7 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 149.6 | 167.4 | -67.6 | -68.1 | -178.4 | -93.7 | 1.1 | 108.7 | N93 V126 L128 P161 | N93-R96 PolarHBondContact O-NH1 3.48Å; R96-V126 PolarHBondContact N-O 3.47Å; R96-V126 PolarHBondContact O-N 3.41Å; R96-L128 HydrophobicContact CG-CD1 3.55Å; R96-L128 HydrophobicContact CG-CD2 4.19Å; R96-L128 HydrophobicContact CG-CG 4.01Å; R96-P161 HydrophobicContact CB-CB 3.97Å; R96-P161 HydrophobicContact CB-CG 3.86Å; R96-P161 HydrophobicContact CG-CG 4.16Å |
| 97 | V | 92.7 | Very high | 87.7 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 120.1 | 175.2 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | V91 V99 K109 W123 Q124 R125 | V91-V97 HydrophobicContact CB-CG2 4.31Å; V91-V97 HydrophobicContact CG1-CG2 3.91Å; V91-V97 HydrophobicContact CG2-CG2 3.37Å; V97-V99 HydrophobicContact CG1-CG2 3.77Å; V97-K109 PolarHBondContact N-O 3Å; V97-K109 PolarHBondContact O-N 3.25Å; V97-W123 HydrophobicContact CG1-CB 3.86Å; V97-W123 HydrophobicContact CG1-CE3 4.4Å; V97-Q124 WeakPolarHBondContact CA-O 3.28Å; V97-R125 HydrophobicContact CG2-CG 3.89Å |
| 98 | V | 91.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 125.7 | 168 | -175.6 | 0 | 0 | 0 | 0 | 106.7 | F100 W123 Q124 V126 P161 V162 V165 | V98-F100 HydrophobicContact CG1-CE1 4.46Å; V98-F100 HydrophobicContact CG1-CE2 3.84Å; V98-F100 HydrophobicContact CG1-CZ 3.78Å; V98-W123 WeakPolarHBondContact O-CA 3.43Å; V98-Q124 PolarHBondContact N-O 2.91Å; V98-Q124 PolarHBondContact O-N 2.98Å; V98-V126 HydrophobicContact CG2-CG2 4.15Å; V98-P161 HydrophobicContact CG2-CB 4Å; V98-P161 WeakPolarHBondContact CG2-O 3.48Å; V98-V162 HydrophobicContact CG2-CG2 4.4Å; V98-V165 HydrophobicContact CB-CG2 4.49Å; V98-V165 HydrophobicContact CG2-CG2 4.16Å |
| 99 | V | 91.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 130 | 180 | -178 | 0 | 0 | 0 | 0 | 108.5 | V97 C106 K109 D121 Q122 W123 | V97-V99 HydrophobicContact CG1-CG2 3.77Å; V99-C106 HydrophobicContact CB-CB 4.33Å; V99-C106 WeakPolarHBondContact O-CB 3.36Å; V99-C106 PolarHBondContact O-N 3.01Å; V99-K109 HydrophobicContact CG2-CD 4.25Å; V99-D121 HydrophobicContact CG1-CB 3.84Å; V99-Q122 CarbonylContact C-O 3.58Å; V99-Q122 WeakPolarHBondContact CA-O 3.42Å; V99-W123 HydrophobicContact CG2-CB 4.32Å |
| 100 | F | 90.1 | Very high | 87.5 | Confident | 35 Ų | 35 | 49.7 Ų | 49.7 | 15% | 0.154 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 113.3 | 169.2 | -59.3 | -82.4 | 0 | 0 | 0 | 108.2 | V98 R104 V105 D121 Q122 V165 V166 | V98-F100 HydrophobicContact CG1-CE1 4.46Å; V98-F100 HydrophobicContact CG1-CE2 3.84Å; V98-F100 HydrophobicContact CG1-CZ 3.78Å; F100-R104 CarbonylContact C-O 3.53Å; F100-R104 VanDerWaalsContact CA-O 3.22Å; F100-R104 WeakPolarHBondContact CA-O 3.3Å; F100-V105 HydrophobicContact CD1-CB 4.17Å; F100-V105 HydrophobicContact CE1-CB 4.02Å; F100-V105 HydrophobicContact CE1-CG2 4.1Å; F100-D121 CarbonylContact O-C 3.46Å; F100-D121 WeakPolarHBondContact O-CA 3.19Å; F100-Q122 HydrophobicContact CB-CB 4.31Å; F100-Q122 PolarHBondContact N-O 3.44Å; F100-Q122 PolarHBondContact O-N 3.3Å; F100-V165 HydrophobicContact CE2-CG1 3.73Å; F100-V165 HydrophobicContact CZ-CB 4.41Å; F100-V165 HydrophobicContact CZ-CG1 3.71Å; F100-V166 HydrophobicContact CE1-CG2 3.82Å; F100-V166 HydrophobicContact CZ-CG2 3.9Å |
| 101 | R | 87.5 | Confident | 87.3 | Confident | 51 Ų | 51 | 47.4 Ų | 47.4 | 19% | 0.192 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 116.7 | 176.8 | 179 | 173.5 | -64.4 | 160.9 | 0.3 | 109.1 | G103 R104 I120 D121 | R101-G103 PolarHBondContact O-N 3.47Å; R101-R104 PolarHBondContact N-O 2.97Å; R101-R104 WeakPolarHBondContact O-CB 3.4Å; R101-R104 PolarHBondContact O-N 3.09Å; R101-I120 HydrophobicContact CG-CD1 4.42Å; R101-D121 WeakPolarHBondContact CB-OD1 3.22Å; R101-D121 VanDerWaalsContact CG-OD1 3.27Å; R101-D121 WeakPolarHBondContact CG-OD1 3.21Å; R101-D121 IonicContact CZ-OD1 3.93Å; R101-D121 IonicContact NE-OD1 3.92Å; R101-D121 PolarHBondContact NE-OD1 3.49Å; R101-D121 IonicContact NE-OD2 3.91Å; R101-D121 IonicContact NH2-OD1 2.98Å; R101-D121 IonicContact NH2-OD2 3.96Å |
| 102 | L | 85 | Confident | 87.2 | Confident | 70 Ų | 70 | 48.6 Ų | 48.6 | 37% | 0.366 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 39.9 | -178.3 | -59.8 | 167.6 | 0 | 0 | 0 | 111.7 | N65 V68 I69 R104 I120 | N65-L102 VanDerWaalsContact ND2-CD1 3.26Å; N65-L102 WeakPolarHBondContact ND2-CD1 3.14Å; V68-L102 HydrophobicContact CB-CD1 4.44Å; V68-L102 HydrophobicContact CG1-CD1 3.96Å; V68-L102 HydrophobicContact CG1-CD2 4.26Å; I69-L102 HydrophobicContact CG1-CD1 4.39Å; L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 3.49Å; L102-I120 HydrophobicContact CD2-CB 3.89Å; L102-I120 HydrophobicContact CD2-CG2 3.78Å; L102-I120 HydrophobicContact CG-CB 4.23Å; L102-I120 PolarHBondContact N-O 3.44Å |
| 103 | G | 79.5 | Confident | 87.1 | Confident | 71 Ų | 71 | 51 Ų | 51 | 73% | 0.732 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R101 | R101-G103 PolarHBondContact O-N 3.47Š|
| 104 | R | 82.3 | Confident | 87 | Confident | 85 Ų | 85 | 45.1 Ų | 45.1 | 32% | 0.321 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 134.4 | -179.8 | -58.9 | 179.8 | -171.2 | 156.2 | 2.7 | 111.5 | Q57 N65 F100 R101 L102 C106 | Q57-R104 VanDerWaalsContact CD-CZ 3.49Å; Q57-R104 VanDerWaalsContact CD-NH2 3.31Å; Q57-R104 VanDerWaalsContact NE2-NE 3.12Å; Q57-R104 VanDerWaalsContact NE2-NH2 3.11Å; Q57-R104 VanDerWaalsContact OE1-NH1 3.09Å; N65-R104 PolarHBondContact ND2-NH1 3.21Å; F100-R104 CarbonylContact C-O 3.53Å; F100-R104 VanDerWaalsContact CA-O 3.22Å; F100-R104 WeakPolarHBondContact CA-O 3.3Å; R101-R104 PolarHBondContact N-O 2.97Å; R101-R104 WeakPolarHBondContact O-CB 3.4Å; R101-R104 PolarHBondContact O-N 3.09Å; L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 3.49Å; R104-C106 PolarHBondContact O-N 3.35Å |
| 105 | V | 84.8 | Confident | 86.9 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 126.1 | 177 | 64.7 | 0 | 0 | 0 | 0 | 110.5 | F52 F100 V162 V166 | F52-V105 HydrophobicContact CD1-CG1 4.21Å; F52-V105 HydrophobicContact CD1-CG2 4.42Å; F100-V105 HydrophobicContact CD1-CB 4.17Å; F100-V105 HydrophobicContact CE1-CB 4.02Å; F100-V105 HydrophobicContact CE1-CG2 4.1Å; V105-V162 HydrophobicContact CG2-CG1 3.44Å; V105-V162 VanDerWaalsContact CG2-CG1 3.44Å; V105-V166 HydrophobicContact CG2-CG2 4.43Å |
| 106 | C | 84.4 | Confident | 86.8 | Confident | 22 Ų | 22 | 42.8 Ų | 42.8 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -95.7 | 157.7 | 171.3 | -69.2 | 0 | 0 | 0 | 0 | 110.1 | V99 R104 | V99-C106 HydrophobicContact CB-CB 4.33Å; V99-C106 WeakPolarHBondContact O-CB 3.36Å; V99-C106 PolarHBondContact O-N 3.01Å; R104-C106 PolarHBondContact O-N 3.35Å |
| 107 | P | 83.7 | Confident | 86.5 | Confident | 74 Ų | 74 | 39.7 Ų | 39.7 | 48% | 0.481 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -53.8 | 142.3 | 171.3 | 21.4 | -32.7 | 0 | 0 | 0 | 110.8 | F52 K109 | F52-P107 HydrophobicContact CD2-CB 3.69Å; F52-P107 HydrophobicContact CD2-CG 4.44Å; F52-P107 HydrophobicContact CE2-CB 3.77Å; F52-P107 HydrophobicContact CG-CB 4.34Å; P107-K109 PolarHBondContact O-N 3.33Å |
| 108 | P | 86 | Confident | 85.9 | Confident | 46 Ų | 46 | 40.4 Ų | 40.4 | 30% | 0.299 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -63.4 | 128.3 | -176.3 | 26.1 | -32.1 | 0 | 0 | 0 | 109.4 | P161 V162 | P108-P161 HydrophobicContact CB-CG 3.94Å; P108-V162 HydrophobicContact CB-CG2 3.91Å; P108-V162 HydrophobicContact CG-CG2 3.91Å |
| 109 | K | 86.1 | Confident | 85.5 | Confident | 56 Ų | 56 | 48.8 Ų | 48.8 | 24% | 0.243 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -83.2 | 133.6 | -179.4 | -66.1 | -173.5 | -179.7 | 170.4 | 0 | 109.9 | V97 V99 P107 V114 L115 | V97-K109 PolarHBondContact N-O 3Å; V97-K109 PolarHBondContact O-N 3.25Å; V99-K109 HydrophobicContact CG2-CD 4.25Å; P107-K109 PolarHBondContact O-N 3.33Å; K109-V114 HydrophobicContact CB-CG1 4.05Å; K109-V114 HydrophobicContact CB-CG2 3.91Å; K109-V114 HydrophobicContact CD-CB 4.5Å; K109-V114 HydrophobicContact CD-CG1 3.35Å; K109-V114 HydrophobicContact CG-CG1 4.33Å; K109-L115 PolarHBondContact NZ-O 3.32Å |
| 110 | G | 79.9 | Confident | 85.3 | Confident | 34 Ų | 34 | 49.8 Ų | 49.8 | 35% | 0.351 | 30% | 0.298 | S | S | . | . | trans | -67.5 | 179.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 111 | P | 85.1 | Confident | 85.3 | Confident | 53 Ų | 53 | 48.9 Ų | 48.9 | 34% | 0.344 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -73.6 | 158.7 | -179.5 | 33.7 | -31.8 | 0 | 0 | 0 | 111.3 | N93 | N93-P111 HydrophobicContact CB-CB 4.46Å; N93-P111 WeakPolarHBondContact OD1-CB 3.36Å; N93-P111 WeakPolarHBondContact OD1-CG 3.26Å |
| 112 | G | 87.7 | Confident | 85.4 | Confident | 30 Ų | 30 | 53 Ų | 53 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 106.8 | -150.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V91 V114 | V91-G112 PolarHBondContact N-O 2.91Å; V91-G112 PolarHBondContact O-N 3.3Å; G112-V114 PolarHBondContact O-N 3.47Å |
| 113 | V | 87.2 | Confident | 85.7 | Confident | 92 Ų | 92 | 53.8 Ų | 53.8 | 56% | 0.558 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 114.6 | -175 | 175 | 0 | 0 | 0 | 0 | 109.9 | L88 | L88-V113 HydrophobicContact CD1-CG1 3.18Å; L88-V113 HydrophobicContact CD2-CG1 3.92Å; L88-V113 HydrophobicContact CG-CG1 3.34Å |
| 114 | V | 88.4 | Confident | 86.2 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 5% | 0.048 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.4 | 179.2 | 174.2 | 0 | 0 | 0 | 0 | 109.4 | K89 V91 K109 G112 V116 | K89-V114 PolarHBondContact N-O 2.85Å; K89-V114 PolarHBondContact O-N 2.97Å; V91-V114 HydrophobicContact CG2-CB 4.2Å; V91-V114 HydrophobicContact CG2-CG2 3.81Å; K109-V114 HydrophobicContact CB-CG1 4.05Å; K109-V114 HydrophobicContact CB-CG2 3.91Å; K109-V114 HydrophobicContact CD-CB 4.5Å; K109-V114 HydrophobicContact CD-CG1 3.35Å; K109-V114 HydrophobicContact CG-CG1 4.33Å; G112-V114 PolarHBondContact O-N 3.47Å; V114-V116 HydrophobicContact CG1-CG2 3.85Å |
| 115 | L | 87.9 | Confident | 86.7 | Confident | 71 Ų | 71 | 56 Ų | 56 | 37% | 0.372 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 118.6 | 171.9 | -162.1 | 84.3 | 0 | 0 | 0 | 109.4 | Y73 V87 L88 K109 | Y73-L115 HydrophobicContact CE1-CD2 4.02Å; V87-L115 HydrophobicContact CB-CD1 4.46Å; V87-L115 HydrophobicContact CG1-CD1 3.29Å; V87-L115 HydrophobicContact CG1-CG 3.55Å; L88-L115 HydrophobicContact CD1-CD1 4.16Å; K109-L115 PolarHBondContact NZ-O 3.32Å |
| 116 | V | 89.4 | Confident | 87.1 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | trans | -123.6 | 120.3 | 176.3 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | V87 V114 D121 W123 | V87-V116 VanDerWaalsContact CA-O 3.29Å; V87-V116 WeakPolarHBondContact CA-O 3.32Å; V87-V116 WeakPolarHBondContact CG1-O 3.5Å; V87-V116 PolarHBondContact O-N 2.86Å; V114-V116 HydrophobicContact CG1-CG2 3.85Å; V116-D121 HydrophobicContact CG1-CB 3.6Å; V116-W123 HydrophobicContact CG1-CB 4.14Å; V116-W123 HydrophobicContact CG1-CG 4.01Å; V116-W123 HydrophobicContact CG2-CB 4.45Å; V116-W123 HydrophobicContact CG2-CG 4.42Å | ||
| 117 | L | 86.8 | Confident | 87.5 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | trans | -77.5 | 128.1 | -175 | -64.8 | 166.5 | 0 | 0 | 0 | 111.2 | V72 Y73 I120 D121 | V72-L117 HydrophobicContact CG1-CB 4.38Å; Y73-L117 HydrophobicContact CD1-CD2 4.08Å; Y73-L117 HydrophobicContact CD2-CD1 4.25Å; Y73-L117 HydrophobicContact CE1-CD1 4.41Å; Y73-L117 HydrophobicContact CE1-CD2 3.83Å; Y73-L117 HydrophobicContact CE2-CD1 3.73Å; L117-I120 HydrophobicContact CB-CD1 4.17Å; L117-I120 HydrophobicContact CB-CG1 3.78Å; L117-I120 HydrophobicContact CD1-CD1 3.79Å; L117-I120 HydrophobicContact CD1-CG1 4.33Å; L117-D121 HydrophobicContact CB-CB 4.39Å; L117-D121 PolarHBondContact N-OD2 3.01Å; L117-D121 WeakPolarHBondContact O-CB 3.4Å; L117-D121 PolarHBondContact O-N 2.88Å | ||
| 118 | P | 80.3 | Confident | 87.9 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 150.2 | 173.4 | 25.6 | -32.9 | 0 | 0 | 0 | 110.4 | F86 V87 I120 | F86-P118 HydrophobicContact CD1-CB 3.82Å; F86-P118 HydrophobicContact CE1-CB 3.93Å; V87-P118 HydrophobicContact CG2-CG 4.15Å; P118-I120 PolarHBondContact O-N 3.46Å |
| 119 | L | 81.4 | Confident | 88.2 | Confident | 175 Ų | 175 | 58.4 Ų | 58.4 | 92% | 0.916 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | -40.1 | -179.6 | -70 | 67.6 | 0 | 0 | 0 | 116.6 | ||
| 120 | I | 88.3 | Confident | 88.6 | Confident | 22 Ų | 22 | 59.3 Ų | 59.3 | 11% | 0.113 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -24.6 | -172.9 | 65.2 | 169.1 | 0 | 0 | 0 | 115.2 | I69 V72 R101 L102 L117 P118 | I69-I120 HydrophobicContact CG1-CD1 4.49Å; V72-I120 HydrophobicContact CB-CD1 4.04Å; V72-I120 HydrophobicContact CG1-CD1 3.86Å; V72-I120 HydrophobicContact CG1-CG1 4.05Å; V72-I120 HydrophobicContact CG1-CG2 4.5Å; V72-I120 HydrophobicContact CG2-CD1 4.21Å; V72-I120 HydrophobicContact CG2-CG2 3.82Å; R101-I120 HydrophobicContact CG-CD1 4.42Å; L102-I120 HydrophobicContact CD2-CB 3.89Å; L102-I120 HydrophobicContact CD2-CG2 3.78Å; L102-I120 HydrophobicContact CG-CB 4.23Å; L102-I120 PolarHBondContact N-O 3.44Å; L117-I120 HydrophobicContact CB-CD1 4.17Å; L117-I120 HydrophobicContact CB-CG1 3.78Å; L117-I120 HydrophobicContact CD1-CD1 3.79Å; L117-I120 HydrophobicContact CD1-CG1 4.33Å; P118-I120 PolarHBondContact O-N 3.46Å |
| 121 | D | 90.3 | Very high | 89.3 | Confident | 15 Ų | 15 | 62.6 Ų | 62.6 | 8% | 0.08 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 116.8 | -179.7 | -69.2 | -9.5 | 0 | 0 | 0 | 109.3 | V99 F100 R101 V116 L117 | V99-D121 HydrophobicContact CG1-CB 3.84Å; F100-D121 CarbonylContact O-C 3.46Å; F100-D121 WeakPolarHBondContact O-CA 3.19Å; R101-D121 WeakPolarHBondContact CB-OD1 3.22Å; R101-D121 VanDerWaalsContact CG-OD1 3.27Å; R101-D121 WeakPolarHBondContact CG-OD1 3.21Å; R101-D121 IonicContact CZ-OD1 3.93Å; R101-D121 IonicContact NE-OD1 3.92Å; R101-D121 PolarHBondContact NE-OD1 3.49Å; R101-D121 IonicContact NE-OD2 3.91Å; R101-D121 IonicContact NH2-OD1 2.98Å; R101-D121 IonicContact NH2-OD2 3.96Å; V116-D121 HydrophobicContact CG1-CB 3.6Å; L117-D121 HydrophobicContact CB-CB 4.39Å; L117-D121 PolarHBondContact N-OD2 3.01Å; L117-D121 WeakPolarHBondContact O-CB 3.4Å; L117-D121 PolarHBondContact O-N 2.88Å |
| 122 | Q | 89.4 | Confident | 89.7 | Confident | 138 Ų | 138 | 63 Ų | 63 | 65% | 0.645 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 131.6 | 164.3 | -178.4 | 176.4 | -1.3 | 0 | 0 | 108.2 | V99 F100 | V99-Q122 CarbonylContact C-O 3.58Å; V99-Q122 WeakPolarHBondContact CA-O 3.42Å; F100-Q122 HydrophobicContact CB-CB 4.31Å; F100-Q122 PolarHBondContact N-O 3.44Å; F100-Q122 PolarHBondContact O-N 3.3Å |
| 123 | W | 90.5 | Very high | 89.9 | Confident | 87 Ų | 87 | 62 Ų | 62 | 33% | 0.33 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 143.8 | -176.1 | 64.3 | -82 | 0 | 0 | 0 | 111.2 | V97 V98 V99 V116 R125 | V97-W123 HydrophobicContact CG1-CB 3.86Å; V97-W123 HydrophobicContact CG1-CE3 4.4Å; V98-W123 WeakPolarHBondContact O-CA 3.43Å; V99-W123 HydrophobicContact CG2-CB 4.32Å; V116-W123 HydrophobicContact CG1-CB 4.14Å; V116-W123 HydrophobicContact CG1-CG 4.01Å; V116-W123 HydrophobicContact CG2-CB 4.45Å; V116-W123 HydrophobicContact CG2-CG 4.42Å; W123-R125 HydrophobicContact CE3-CG 4.09Å; W123-R125 HydrophobicContact CZ3-CG 3.65Å |
| 124 | Q | 90.9 | Very high | 90.2 | Very high | 91 Ų | 91 | 62 Ų | 62 | 43% | 0.425 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 130.6 | 177 | -176 | 166 | -21.9 | 0 | 0 | 109.8 | V97 V98 V165 | V97-Q124 WeakPolarHBondContact CA-O 3.28Å; V98-Q124 PolarHBondContact N-O 2.91Å; V98-Q124 PolarHBondContact O-N 2.98Å; Q124-V165 HydrophobicContact CG-CG2 4.33Å; Q124-V165 VanDerWaalsContact OE1-CG1 3.3Å |
| 125 | R | 91.8 | Very high | 90.4 | Very high | 111 Ų | 111 | 61.7 Ų | 61.7 | 42% | 0.419 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 128 | 173.6 | -78.8 | 168 | -169 | 167.4 | -0.5 | 109.3 | V97 W123 | V97-R125 HydrophobicContact CG2-CG 3.89Å; W123-R125 HydrophobicContact CE3-CG 4.09Å; W123-R125 HydrophobicContact CZ3-CG 3.65Å |
| 126 | V | 92.9 | Very high | 90.6 | Very high | 8 Ų | 8 | 62.1 Ų | 62.1 | 5% | 0.048 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132.8 | 174 | -175.4 | 0 | 0 | 0 | 0 | 107.9 | Q95 R96 V98 I158 P161 V165 | Q95-V126 CarbonylContact C-O 3.57Å; Q95-V126 VanDerWaalsContact CA-O 3.31Å; Q95-V126 WeakPolarHBondContact CA-O 3.23Å; R96-V126 PolarHBondContact N-O 3.47Å; R96-V126 PolarHBondContact O-N 3.41Å; V98-V126 HydrophobicContact CG2-CG2 4.15Å; V126-I158 HydrophobicContact CG1-CB 4.45Å; V126-I158 HydrophobicContact CG1-CD1 3.54Å; V126-I158 HydrophobicContact CG1-CG2 4Å; V126-P161 HydrophobicContact CB-CB 3.91Å; V126-P161 HydrophobicContact CG1-CB 4.03Å; V126-P161 HydrophobicContact CG2-CB 4.26Å; V126-V165 HydrophobicContact CG2-CG2 3.61Å |
| 127 | D | 93.1 | Very high | 90.7 | Very high | 23 Ų | 23 | 65.6 Ų | 65.6 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 133.2 | 177.4 | -169.4 | -3.6 | 0 | 0 | 0 | 109 | R129 R131 | D127-R129 WeakPolarHBondContact OD1-CB 3.31Å; D127-R129 WeakPolarHBondContact OD1-CG 3.45Å; D127-R129 PolarHBondContact OD1-N 2.85Å; D127-R131 IonicContact OD2-CZ 2.8Å; D127-R131 IonicContact OD2-NE 2.73Å; D127-R131 IonicContact OD2-NH2 2.62Å; D127-R131 PolarHBondContact OD2-NH2 3Å |
| 128 | L | 91.9 | Very high | 90.8 | Very high | 49 Ų | 49 | 66.5 Ų | 66.5 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | trans | -94.4 | -4.4 | -177.6 | -58.4 | -179.3 | 0 | 0 | 0 | 113 | Y94 R96 I158 P161 | Y94-L128 PolarHBondContact O-N 2.89Å; R96-L128 HydrophobicContact CG-CD1 3.55Å; R96-L128 HydrophobicContact CG-CD2 4.19Å; R96-L128 HydrophobicContact CG-CG 4.01Å; L128-I158 HydrophobicContact CD2-CG2 4.35Å; L128-I158 WeakPolarHBondContact CD2-O 3.38Å; L128-P161 HydrophobicContact CD2-CB 4.36Å | ||
| 129 | R | 94 | Very high | 91.3 | Very high | 134 Ų | 134 | 72.7 Ų | 72.7 | 51% | 0.506 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -69.4 | 151.4 | -180 | -67.7 | 173 | 172.6 | 178.4 | -2.9 | 111.3 | Y94 D127 R131 | Y94-R129 VanDerWaalsContact CB-NE 3.34Å; Y94-R129 VanDerWaalsContact CE1-NH2 3.25Å; Y94-R129 VanDerWaalsContact CG-NE 3.29Å; D127-R129 WeakPolarHBondContact OD1-CB 3.31Å; D127-R129 WeakPolarHBondContact OD1-CG 3.45Å; D127-R129 PolarHBondContact OD1-N 2.85Å; R129-R131 PolarHBondContact O-N 3.01Å |
| 130 | T | 93.9 | Very high | 91.8 | Very high | 75 Ų | 75 | 64.5 Ų | 64.5 | 46% | 0.46 | 32% | 0.322 | S | S | . | . | trans | -58.9 | 130.5 | 169.8 | -55.8 | 0 | 0 | 0 | 0 | 109.7 | Q155 F156 D222 | T130-Q155 HydrophobicContact CG2-CB 4.01Å; T130-F156 CarbonylContact C-O 3.59Å; T130-F156 WeakPolarHBondContact CA-O 3.45Å; T130-D222 VanDerWaalsContact CG2-OD2 3.23Å; T130-D222 WeakPolarHBondContact CG2-OD2 3.49Å; T130-D222 PolarHBondContact OG1-OD2 3.11Å | ||
| 131 | R | 93.6 | Very high | 91.9 | Very high | 103 Ų | 103 | 67.6 Ų | 67.6 | 39% | 0.389 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 148.6 | 177.5 | -69.5 | 175.9 | 174.7 | -168.6 | -9.9 | 108.7 | D127 R129 Q155 F156 | D127-R131 IonicContact OD2-CZ 2.8Å; D127-R131 IonicContact OD2-NE 2.73Å; D127-R131 IonicContact OD2-NH2 2.62Å; D127-R131 PolarHBondContact OD2-NH2 3Å; R129-R131 PolarHBondContact O-N 3.01Å; R131-Q155 WeakPolarHBondContact O-CA 3.33Å; R131-F156 HydrophobicContact CB-CE1 3.97Å; R131-F156 HydrophobicContact CB-CZ 3.97Å; R131-F156 PolarHBondContact N-O 3.12Å; R131-F156 VanDerWaalsContact O-CD1 3.29Å; R131-F156 WeakPolarHBondContact O-CD1 3.44Å; R131-F156 WeakPolarHBondContact O-CE1 3.12Å; R131-F156 PolarHBondContact O-N 3.19Å |
| 132 | A | 93.3 | Very high | 92.1 | Very high | 63 Ų | 63 | 67.2 Ų | 67.2 | 52% | 0.521 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 140.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | I154 Q155 | A132-I154 VanDerWaalsContact CA-O 3.29Å; A132-I154 WeakPolarHBondContact CA-O 3.48Å; A132-Q155 HydrophobicContact CB-CG 4.15Å |
| 133 | F | 93.6 | Very high | 92.3 | Very high | 8 Ų | 8 | 69.8 Ų | 69.8 | 4% | 0.035 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 146.4 | 159.3 | 67.6 | -106.2 | 0 | 0 | 0 | 110.2 | I135 I154 F156 T175 R176 | F133-I135 HydrophobicContact CD2-CG1 4.11Å; F133-I135 HydrophobicContact CE2-CD1 4.13Å; F133-I135 HydrophobicContact CE2-CG1 3.73Å; F133-I154 HydrophobicContact CE1-CB 4.35Å; F133-I154 HydrophobicContact CE1-CG2 4.41Å; F133-I154 HydrophobicContact CE2-CB 4Å; F133-I154 HydrophobicContact CE2-CD1 4.03Å; F133-I154 HydrophobicContact CE2-CG1 4.25Å; F133-I154 HydrophobicContact CZ-CB 3.84Å; F133-I154 HydrophobicContact CZ-CD1 4Å; F133-I154 HydrophobicContact CZ-CG1 4.37Å; F133-I154 HydrophobicContact CZ-CG2 4.09Å; F133-I154 PolarHBondContact N-O 3.27Å; F133-I154 PolarHBondContact O-N 2.86Å; F133-F156 AromaticContact CD1-CD1 3.76Å; F133-F156 HydrophobicContact CD1-CD1 3.76Å; F133-F156 AromaticContact CD1-CE1 3.26Å; F133-F156 HydrophobicContact CD1-CE1 3.26Å; F133-F156 HydrophobicContact CD1-CZ 4.05Å; F133-F156 AromaticContact CE1-CD1 3.66Å; F133-F156 HydrophobicContact CE1-CD1 3.66Å; F133-F156 AromaticContact CE1-CE1 3.59Å; F133-F156 HydrophobicContact CE1-CE1 3.59Å; F133-F156 HydrophobicContact CE1-CZ 4.35Å; F133-F156 HydrophobicContact CG-CE1 4.4Å; F133-T175 HydrophobicContact CE1-CG2 3.65Å; F133-T175 HydrophobicContact CZ-CG2 3.69Å; F133-R176 HydrophobicContact CD1-CG 4.48Å; F133-R176 HydrophobicContact CD2-CG 3.43Å; F133-R176 VanDerWaalsContact CD2-CG 3.43Å; F133-R176 HydrophobicContact CE2-CB 4.37Å; F133-R176 HydrophobicContact CE2-CG 3.59Å; F133-R176 HydrophobicContact CG-CG 3.97Å; F133-R176 HydrophobicContact CZ-CG 4.25Å |
| 134 | N | 93 | Very high | 92.4 | Very high | 92 Ų | 92 | 69.7 Ų | 69.7 | 49% | 0.492 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134.8 | 174.5 | -172 | -14 | 0 | 0 | 0 | 110.1 | A152 | N134-A152 PolarHBondContact OD1-O 3.28Å |
| 135 | I | 93.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 122.2 | 169.9 | -58.1 | 175.1 | 0 | 0 | 0 | 108.1 | F133 G151 A152 I154 A179 Q180 | F133-I135 HydrophobicContact CD2-CG1 4.11Å; F133-I135 HydrophobicContact CE2-CD1 4.13Å; F133-I135 HydrophobicContact CE2-CG1 3.73Å; I135-G151 WeakPolarHBondContact O-CA 3.4Å; I135-A152 HydrophobicContact CD1-CB 4.35Å; I135-A152 PolarHBondContact N-O 2.86Å; I135-I154 HydrophobicContact CD1-CD1 3.63Å; I135-I154 HydrophobicContact CD1-CG1 4.29Å; I135-A179 HydrophobicContact CD1-CB 3.44Å; I135-A179 VanDerWaalsContact CD1-CB 3.44Å; I135-Q180 HydrophobicContact CG2-CB 4.18Å; I135-Q180 HydrophobicContact CG2-CG 4.44Å |
| 136 | P | 91.3 | Very high | 92 | Very high | 79 Ų | 79 | 63.3 Ų | 63.3 | 51% | 0.513 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 143.1 | -179.5 | 25.8 | -34.4 | 0 | 0 | 0 | 110.8 | C138 | P136-C138 PolarHBondContact O-N 3.13Å; P136-C138 PolarHBondContact O-SG 2.85Å |
| 137 | P | 90.8 | Very high | 91.9 | Very high | 80 Ų | 80 | 66.1 Ų | 66.1 | 52% | 0.519 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 124.1 | 179.3 | -25.4 | 33.8 | 0 | 0 | 0 | 111.8 | ||
| 138 | C | 89.2 | Confident | 91.8 | Very high | 22 Ų | 22 | 65.6 Ų | 65.6 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 144.3 | 178.6 | -64.1 | 0 | 0 | 0 | 0 | 110.1 | P136 V140 L149 V150 Q180 | P136-C138 PolarHBondContact O-N 3.13Å; P136-C138 PolarHBondContact O-SG 2.85Å; C138-V140 PolarHBondContact O-N 3.46Å; C138-L149 WeakPolarHBondContact O-CA 3.37Å; C138-V150 PolarHBondContact N-O 3.18Å; C138-V150 PolarHBondContact O-N 3.39Å; C138-Q180 PolarHBondContact SG-NE2 3.01Å |
| 139 | Q | 91.4 | Very high | 91.8 | Very high | 149 Ų | 149 | 66 Ų | 66 | 70% | 0.696 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 120.1 | 174.1 | -173.5 | 177.2 | 40.9 | 0 | 0 | 109.1 | V147 L149 | Q139-V147 HydrophobicContact CG-CG1 3.46Å; Q139-V147 VanDerWaalsContact CG-CG1 3.46Å; Q139-L149 HydrophobicContact CB-CD2 4.29Å |
| 140 | V | 91.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.024 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136.1 | 179.3 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | C138 L148 T184 L187 | C138-V140 PolarHBondContact O-N 3.46Å; V140-L148 HydrophobicContact CB-CD1 4.16Å; V140-L148 PolarHBondContact N-O 2.83Å; V140-L148 PolarHBondContact O-N 3Å; V140-T184 HydrophobicContact CG1-CG2 4.33Å; V140-T184 HydrophobicContact CG2-CG2 4.29Å; V140-L187 HydrophobicContact CG1-CB 3.91Å; V140-L187 HydrophobicContact CG2-CD1 4.4Å |
| 141 | V | 91.9 | Very high | 91.7 | Very high | 86 Ų | 86 | 56.1 Ų | 56.1 | 52% | 0.521 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 124.2 | 173.6 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | G146 V147 S188 | V141-G146 CarbonylContact C-O 3.58Å; V141-G146 WeakPolarHBondContact CA-O 3.28Å; V141-V147 HydrophobicContact CG2-CG2 4.38Å; V141-S188 WeakPolarHBondContact O-CA 3.3Å |
| 142 | T | 93.5 | Very high | 91.7 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.043 | 30% | 0.295 | C | S | . | . | trans | -86.1 | 171.1 | 179.5 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | D144 G145 G146 L148 K190 I192 I195 | T142-D144 WeakPolarHBondContact CB-OD1 3.43Å; T142-D144 PolarHBondContact O-N 3.46Å; T142-D144 PolarHBondContact OG1-OD1 3.14Å; T142-G145 PolarHBondContact O-N 2.9Å; T142-G146 PolarHBondContact N-O 3.06Å; T142-G146 VanDerWaalsContact OG1-CA 3.31Å; T142-G146 WeakPolarHBondContact OG1-CA 3.3Å; T142-G146 PolarHBondContact OG1-N 3.27Å; T142-G146 PolarHBondContact OG1-O 2.66Å; T142-L148 HydrophobicContact CG2-CD2 3.32Å; T142-L148 HydrophobicContact CG2-CG 4.08Å; T142-K190 VanDerWaalsContact CB-O 3.28Å; T142-K190 WeakPolarHBondContact CB-O 3.47Å; T142-I192 HydrophobicContact CG2-CG1 4.03Å; T142-I192 WeakPolarHBondContact OG1-CG1 3.34Å; T142-I195 HydrophobicContact CG2-CD1 3.64Å | ||
| 143 | R | 92.9 | Very high | 91.8 | Very high | 192 Ų | 192 | 50 Ų | 50 | 73% | 0.725 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -32.9 | -178.9 | -177.9 | -179.4 | 174.6 | -171.3 | -1.3 | 113.5 | G145 S188 K190 | R143-G145 VanDerWaalsContact C-N 3.25Å; R143-G145 PolarHBondContact O-N 3.34Å; R143-S188 PolarHBondContact N-O 3.39Å; R143-K190 PolarHBondContact N-O 2.88Å |
| 144 | D | 92.9 | Very high | 91.9 | Very high | 85 Ų | 85 | 49.6 Ų | 49.6 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 8.1 | 178.5 | 56.6 | -31.1 | 0 | 0 | 0 | 113.8 | T142 G146 T191 I192 | T142-D144 WeakPolarHBondContact CB-OD1 3.43Å; T142-D144 PolarHBondContact O-N 3.46Å; T142-D144 PolarHBondContact OG1-OD1 3.14Å; D144-G146 PolarHBondContact O-N 3.33Å; D144-T191 HydrophobicContact CB-CG2 3.98Å; D144-T191 VanDerWaalsContact CG-CG2 3.49Å; D144-T191 VanDerWaalsContact OD2-CG2 3.26Å; D144-T191 WeakPolarHBondContact OD2-CG2 3.37Å; D144-I192 PolarHBondContact OD1-N 2.83Å |
| 145 | G | 87.8 | Confident | 92 | Very high | 54 Ų | 54 | 48 Ų | 48 | 56% | 0.557 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 75 | 8.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T142 R143 | T142-G145 PolarHBondContact O-N 2.9Å; R143-G145 VanDerWaalsContact C-N 3.25Å; R143-G145 PolarHBondContact O-N 3.34Å |
| 146 | G | 87.7 | Confident | 92.1 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | trans | -70.1 | 146.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | V141 T142 D144 | V141-G146 CarbonylContact C-O 3.58Å; V141-G146 WeakPolarHBondContact CA-O 3.28Å; T142-G146 PolarHBondContact N-O 3.06Å; T142-G146 VanDerWaalsContact OG1-CA 3.31Å; T142-G146 WeakPolarHBondContact OG1-CA 3.3Å; T142-G146 PolarHBondContact OG1-N 3.27Å; T142-G146 PolarHBondContact OG1-O 2.66Å; D144-G146 PolarHBondContact O-N 3.33Å | ||
| 147 | V | 90.3 | Very high | 92.3 | Very high | 66 Ų | 66 | 48.8 Ų | 48.8 | 40% | 0.4 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 118.9 | -179.6 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | Q139 V141 L231 | Q139-V147 HydrophobicContact CG-CG1 3.46Å; Q139-V147 VanDerWaalsContact CG-CG1 3.46Å; V141-V147 HydrophobicContact CG2-CG2 4.38Å; V147-L231 WeakPolarHBondContact O-CD2 3.34Å |
| 148 | L | 90.2 | Very high | 92.5 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 146 | -179 | 55.9 | 89.5 | 0 | 0 | 0 | 111.1 | V140 T142 V150 L187 I192 I195 L231 | V140-L148 HydrophobicContact CB-CD1 4.16Å; V140-L148 PolarHBondContact N-O 2.83Å; V140-L148 PolarHBondContact O-N 3Å; T142-L148 HydrophobicContact CG2-CD2 3.32Å; T142-L148 HydrophobicContact CG2-CG 4.08Å; L148-V150 HydrophobicContact CD1-CB 3.84Å; L148-V150 HydrophobicContact CD1-CG2 3.18Å; L148-V150 HydrophobicContact CG-CG2 4.43Å; L148-L187 HydrophobicContact CD1-CD1 4.41Å; L148-I192 HydrophobicContact CD2-CG1 4.1Å; L148-I195 HydrophobicContact CD2-CD1 3.9Å; L148-L231 HydrophobicContact CB-CD2 4.43Å |
| 149 | L | 92 | Very high | 92.5 | Very high | 57 Ų | 57 | 49.9 Ų | 49.9 | 30% | 0.298 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 115.8 | 171.1 | -80.6 | 155 | 0 | 0 | 0 | 107.7 | C138 Q139 G229 | C138-L149 WeakPolarHBondContact O-CA 3.37Å; Q139-L149 HydrophobicContact CB-CD2 4.29Å; L149-G229 PolarHBondContact O-N 3.49Å |
| 150 | V | 92.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131.3 | 178.2 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | C138 L148 L183 L187 L226 T227 F228 | C138-V150 PolarHBondContact N-O 3.18Å; C138-V150 PolarHBondContact O-N 3.39Å; L148-V150 HydrophobicContact CD1-CB 3.84Å; L148-V150 HydrophobicContact CD1-CG2 3.18Å; L148-V150 HydrophobicContact CG-CG2 4.43Å; V150-L183 HydrophobicContact CG1-CD1 4.05Å; V150-L183 HydrophobicContact CG1-CD2 4.11Å; V150-L183 HydrophobicContact CG1-CG 4.45Å; V150-L187 HydrophobicContact CB-CD1 3.9Å; V150-L187 HydrophobicContact CG1-CD1 3.71Å; V150-L187 HydrophobicContact CG2-CD1 4.36Å; V150-L226 HydrophobicContact CG1-CD2 4.35Å; V150-T227 WeakPolarHBondContact CA-O 3.27Å; V150-F228 HydrophobicContact CG2-CD1 3.28Å; V150-F228 HydrophobicContact CG2-CE1 3.59Å; V150-F228 HydrophobicContact CG2-CG 4.25Å |
| 151 | G | 93.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 179.6 | 164 | 0 | 0 | 0 | 0 | 0 | 110.4 | I135 T227 | I135-G151 WeakPolarHBondContact O-CA 3.4Å; G151-T227 PolarHBondContact N-O 3.26Å; G151-T227 PolarHBondContact O-N 3.06Å; G151-T227 VanDerWaalsContact O-O 3.12Å |
| 152 | A | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 147.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | N134 I135 L183 V224 E225 L226 | N134-A152 PolarHBondContact OD1-O 3.28Å; I135-A152 HydrophobicContact CD1-CB 4.35Å; I135-A152 PolarHBondContact N-O 2.86Å; A152-L183 HydrophobicContact CB-CD1 3.68Å; A152-V224 HydrophobicContact CB-CG1 4.45Å; A152-E225 CarbonylContact C-O 3.33Å; A152-E225 WeakPolarHBondContact CA-O 3.38Å; A152-E225 WeakPolarHBondContact CB-O 3.43Å; A152-L226 HydrophobicContact CB-CD2 4.11Å |
| 153 | D | 95.3 | Very high | 92.1 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 20% | 0.198 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 127.5 | 166.3 | -169.3 | 62.7 | 0 | 0 | 0 | 108.9 | E225 | D153-E225 HydrophobicContact CB-CB 4.49Å; D153-E225 PolarHBondContact N-O 2.9Å; D153-E225 PolarHBondContact O-N 3.46Å |
| 154 | I | 95.7 | Very high | 92 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.7 | -176.9 | -58.9 | -173.7 | 0 | 0 | 0 | 109.2 | A132 F133 I135 A179 I210 V221 V224 | A132-I154 VanDerWaalsContact CA-O 3.29Å; A132-I154 WeakPolarHBondContact CA-O 3.48Å; F133-I154 HydrophobicContact CE1-CB 4.35Å; F133-I154 HydrophobicContact CE1-CG2 4.41Å; F133-I154 HydrophobicContact CE2-CB 4Å; F133-I154 HydrophobicContact CE2-CD1 4.03Å; F133-I154 HydrophobicContact CE2-CG1 4.25Å; F133-I154 HydrophobicContact CZ-CB 3.84Å; F133-I154 HydrophobicContact CZ-CD1 4Å; F133-I154 HydrophobicContact CZ-CG1 4.37Å; F133-I154 HydrophobicContact CZ-CG2 4.09Å; F133-I154 PolarHBondContact N-O 3.27Å; F133-I154 PolarHBondContact O-N 2.86Å; I135-I154 HydrophobicContact CD1-CD1 3.63Å; I135-I154 HydrophobicContact CD1-CG1 4.29Å; I154-A179 HydrophobicContact CD1-CB 3.34Å; I154-I210 HydrophobicContact CD1-CD1 3.81Å; I154-V221 HydrophobicContact CG2-CG1 4Å; I154-V224 HydrophobicContact CG1-CG1 4.24Å; I154-V224 HydrophobicContact CG1-CG2 4.29Å; I154-V224 HydrophobicContact CG2-CG2 4.4Å |
| 155 | Q | 95.8 | Very high | 91.9 | Very high | 59 Ų | 59 | 29 Ų | 29 | 28% | 0.276 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 124.1 | 173.1 | -63.2 | 178.3 | 11.5 | 0 | 0 | 109 | T130 R131 A132 D222 R223 | T130-Q155 HydrophobicContact CG2-CB 4.01Å; R131-Q155 WeakPolarHBondContact O-CA 3.33Å; A132-Q155 HydrophobicContact CB-CG 4.15Å; Q155-D222 PolarHBondContact O-N 3.44Å; Q155-R223 HydrophobicContact CB-CB 4.27Å; Q155-R223 PolarHBondContact N-O 2.99Å; Q155-R223 PolarHBondContact O-N 3.34Å |
| 156 | F | 95.2 | Very high | 91.8 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 2% | 0.022 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 155.4 | -178.3 | 69.5 | -78 | 0 | 0 | 0 | 110.2 | T130 R131 F133 L219 E220 | T130-F156 CarbonylContact C-O 3.59Å; T130-F156 WeakPolarHBondContact CA-O 3.45Å; R131-F156 HydrophobicContact CB-CE1 3.97Å; R131-F156 HydrophobicContact CB-CZ 3.97Å; R131-F156 PolarHBondContact N-O 3.12Å; R131-F156 VanDerWaalsContact O-CD1 3.29Å; R131-F156 WeakPolarHBondContact O-CD1 3.44Å; R131-F156 WeakPolarHBondContact O-CE1 3.12Å; R131-F156 PolarHBondContact O-N 3.19Å; F133-F156 AromaticContact CD1-CD1 3.76Å; F133-F156 HydrophobicContact CD1-CD1 3.76Å; F133-F156 AromaticContact CD1-CE1 3.26Å; F133-F156 HydrophobicContact CD1-CE1 3.26Å; F133-F156 HydrophobicContact CD1-CZ 4.05Å; F133-F156 AromaticContact CE1-CD1 3.66Å; F133-F156 HydrophobicContact CE1-CD1 3.66Å; F133-F156 AromaticContact CE1-CE1 3.59Å; F133-F156 HydrophobicContact CE1-CE1 3.59Å; F133-F156 HydrophobicContact CE1-CZ 4.35Å; F133-F156 HydrophobicContact CG-CE1 4.4Å; F156-L219 HydrophobicContact CD2-CD2 3.37Å; F156-L219 HydrophobicContact CD2-CG 4.45Å; F156-L219 HydrophobicContact CE2-CD2 3.59Å; F156-L219 HydrophobicContact CG-CD2 4.31Å; F156-E220 CarbonylContact C-O 3.56Å; F156-E220 VanDerWaalsContact CA-O 3.26Å; F156-E220 WeakPolarHBondContact CA-O 3.36Å; F156-E220 WeakPolarHBondContact CB-O 3.48Å |
| 157 | R | 94.7 | Very high | 91.8 | Very high | 91 Ų | 91 | 30.9 Ų | 30.9 | 34% | 0.343 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 150.7 | 174.1 | 64.4 | -173.8 | 176.4 | 104.7 | 2.2 | 110.6 | L219 E220 D222 | R157-L219 WeakPolarHBondContact O-CA 3.5Å; R157-E220 HydrophobicContact CG-CB 4.2Å; R157-E220 IonicContact CZ-OE1 2.85Å; R157-E220 IonicContact CZ-OE2 3.51Å; R157-E220 PolarHBondContact N-O 3.33Å; R157-E220 IonicContact NE-OE2 2.88Å; R157-E220 IonicContact NH1-OE2 3.58Å; R157-E220 IonicContact NH2-OE1 3.79Å; R157-E220 PolarHBondContact NH2-OE1 3.47Å; R157-E220 IonicContact NH2-OE2 3.5Å; R157-E220 PolarHBondContact NH2-OE2 3.19Å; R157-E220 PolarHBondContact O-N 3.23Å; R157-D222 VanDerWaalsContact CD-OD1 3.3Å; R157-D222 WeakPolarHBondContact CD-OD1 3.47Å; R157-D222 WeakPolarHBondContact CD-OD2 3.47Å; R157-D222 IonicContact NE-OD1 3.31Å; R157-D222 PolarHBondContact NE-OD1 2.63Å |
| 158 | I | 94.8 | Very high | 91.6 | Very high | 10 Ų | 10 | 28.6 Ų | 28.6 | 5% | 0.051 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 117.1 | 176.8 | -63.3 | 170.2 | 0 | 0 | 0 | 107.8 | V126 L128 L171 | V126-I158 HydrophobicContact CG1-CB 4.45Å; V126-I158 HydrophobicContact CG1-CD1 3.54Å; V126-I158 HydrophobicContact CG1-CG2 4Å; L128-I158 HydrophobicContact CD2-CG2 4.35Å; L128-I158 WeakPolarHBondContact CD2-O 3.38Å; I158-L171 HydrophobicContact CD1-CD2 3.81Å; I158-L171 HydrophobicContact CG1-CD2 4.18Å |
| 159 | W | 89.7 | Confident | 91.4 | Very high | 115 Ų | 115 | 37.2 Ų | 37.2 | 44% | 0.436 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -88 | -38.1 | 176.3 | 80.3 | -98.3 | 0 | 0 | 0 | 111.3 | G218 | W159-G218 PolarHBondContact N-O 3.15Š|
| 160 | N | 90.8 | Very high | 91.3 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | trans | -119.8 | 106.8 | 178.2 | -167.2 | -36.9 | 0 | 0 | 0 | 111.1 | V162 M163 S164 G218 | N160-V162 VanDerWaalsContact C-N 3.28Å; N160-V162 PolarHBondContact O-N 3.47Å; N160-V162 WeakPolarHBondContact OD1-CB 3.3Å; N160-V162 PolarHBondContact OD1-N 2.87Å; N160-M163 HydrophobicContact CB-CB 4.08Å; N160-M163 HydrophobicContact CB-CG 4.19Å; N160-M163 PolarHBondContact O-N 3.45Å; N160-M163 PolarHBondContact OD1-N 2.91Å; N160-S164 PolarHBondContact O-N 2.94Å; N160-G218 PolarHBondContact N-O 2.92Å | ||
| 161 | P | 91.2 | Very high | 91.2 | Very high | 11 Ų | 11 | 40.8 Ų | 40.8 | 7% | 0.071 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.7 | -28.5 | -178.2 | 28.9 | -36 | 0 | 0 | 0 | 112.7 | R96 V98 P108 V126 L128 V165 | R96-P161 HydrophobicContact CB-CB 3.97Å; R96-P161 HydrophobicContact CB-CG 3.86Å; R96-P161 HydrophobicContact CG-CG 4.16Å; V98-P161 HydrophobicContact CG2-CB 4Å; V98-P161 WeakPolarHBondContact CG2-O 3.48Å; P108-P161 HydrophobicContact CB-CG 3.94Å; V126-P161 HydrophobicContact CB-CB 3.91Å; V126-P161 HydrophobicContact CG1-CB 4.03Å; V126-P161 HydrophobicContact CG2-CB 4.26Å; L128-P161 HydrophobicContact CD2-CB 4.36Å; P161-V165 WeakPolarHBondContact O-CG2 3.42Å |
| 162 | V | 89.8 | Confident | 91 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.3 | -49.3 | 179.9 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | I47 F52 V98 V105 P108 N160 S164 V165 V166 | I47-V162 HydrophobicContact CG2-CG1 4.12Å; F52-V162 HydrophobicContact CE1-CB 4.49Å; F52-V162 HydrophobicContact CE1-CG1 4.13Å; F52-V162 HydrophobicContact CE1-CG2 4.09Å; F52-V162 HydrophobicContact CZ-CG2 4.31Å; V98-V162 HydrophobicContact CG2-CG2 4.4Å; V105-V162 HydrophobicContact CG2-CG1 3.44Å; V105-V162 VanDerWaalsContact CG2-CG1 3.44Å; P108-V162 HydrophobicContact CB-CG2 3.91Å; P108-V162 HydrophobicContact CG-CG2 3.91Å; N160-V162 VanDerWaalsContact C-N 3.28Å; N160-V162 PolarHBondContact O-N 3.47Å; N160-V162 WeakPolarHBondContact OD1-CB 3.3Å; N160-V162 PolarHBondContact OD1-N 2.87Å; V162-S164 VanDerWaalsContact C-N 3.26Å; V162-S164 PolarHBondContact O-N 2.85Å; V162-V165 PolarHBondContact O-N 2.85Å; V162-V165 VanDerWaalsContact O-N 3.13Å; V162-V166 HydrophobicContact CG1-CG2 4.15Å; V162-V166 WeakPolarHBondContact O-CG2 3.31Å; V162-V166 PolarHBondContact O-N 2.92Å |
| 163 | M | 88.1 | Confident | 90.9 | Very high | 31 Ų | 31 | 47 Ų | 47 | 15% | 0.153 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.3 | -40.2 | 178.2 | -72.8 | -63.4 | -94.9 | 0 | 0 | 111.7 | I47 N160 V165 V166 S167 P216 W217 | I47-M163 HydrophobicContact CB-CE 4.39Å; I47-M163 HydrophobicContact CB-CG 4.43Å; I47-M163 HydrophobicContact CB-SD 3.35Å; I47-M163 WeakPolarHBondContact CB-SD 3.2Å; I47-M163 HydrophobicContact CD1-SD 3.6Å; I47-M163 VanDerWaalsContact CD1-SD 3.6Å; I47-M163 HydrophobicContact CG1-SD 4.07Å; I47-M163 HydrophobicContact CG2-CG 3.66Å; I47-M163 HydrophobicContact CG2-SD 3.18Å; I47-M163 WeakPolarHBondContact CG2-SD 3.36Å; N160-M163 HydrophobicContact CB-CB 4.08Å; N160-M163 HydrophobicContact CB-CG 4.19Å; N160-M163 PolarHBondContact O-N 3.45Å; N160-M163 PolarHBondContact OD1-N 2.91Å; M163-V165 PolarHBondContact O-N 3.17Å; M163-V165 VanDerWaalsContact O-N 3.14Å; M163-V166 PolarHBondContact O-N 3.04Å; M163-S167 WeakPolarHBondContact O-CB 3.35Å; M163-S167 PolarHBondContact O-N 2.91Å; M163-S167 PolarHBondContact O-OG 2.97Å; M163-P216 WeakPolarHBondContact CE-O 3.02Å; M163-W217 CarbonylContact C-O 3.5Å |
| 164 | S | 90.6 | Very high | 90.8 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.8 | -25 | 178.6 | 172.5 | 0 | 0 | 0 | 0 | 114.4 | N160 V162 L171 W217 | N160-S164 PolarHBondContact O-N 2.94Å; V162-S164 VanDerWaalsContact C-N 3.26Å; V162-S164 PolarHBondContact O-N 2.85Å; S164-L171 VanDerWaalsContact OG-CD2 3.3Å; S164-L171 WeakPolarHBondContact OG-CD2 3.35Å; S164-W217 WeakPolarHBondContact CA-O 3.5Å; S164-W217 PolarHBondContact N-O 3.48Å; S164-W217 VanDerWaalsContact N-O 3.11Å |
| 165 | V | 89.8 | Confident | 90.7 | Very high | 24 Ų | 24 | 47.2 Ų | 47.2 | 15% | 0.145 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -99.1 | -34.3 | -179.3 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | V98 F100 Q124 V126 P161 V162 M163 | V98-V165 HydrophobicContact CB-CG2 4.49Å; V98-V165 HydrophobicContact CG2-CG2 4.16Å; F100-V165 HydrophobicContact CE2-CG1 3.73Å; F100-V165 HydrophobicContact CZ-CB 4.41Å; F100-V165 HydrophobicContact CZ-CG1 3.71Å; Q124-V165 HydrophobicContact CG-CG2 4.33Å; Q124-V165 VanDerWaalsContact OE1-CG1 3.3Å; V126-V165 HydrophobicContact CG2-CG2 3.61Å; P161-V165 WeakPolarHBondContact O-CG2 3.42Å; V162-V165 PolarHBondContact O-N 2.85Å; V162-V165 VanDerWaalsContact O-N 3.13Å; M163-V165 PolarHBondContact O-N 3.17Å; M163-V165 VanDerWaalsContact O-N 3.14Å |
| 166 | V | 87.4 | Confident | 90.6 | Very high | 59 Ų | 59 | 49.6 Ų | 49.6 | 36% | 0.358 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -86.6 | -34.6 | -174 | 179.5 | 0 | 0 | 0 | 0 | 112.5 | I47 F100 V105 V162 M163 | I47-V166 HydrophobicContact CD1-CB 4.09Å; I47-V166 HydrophobicContact CD1-CG1 3.7Å; F100-V166 HydrophobicContact CE1-CG2 3.82Å; F100-V166 HydrophobicContact CZ-CG2 3.9Å; V105-V166 HydrophobicContact CG2-CG2 4.43Å; V162-V166 HydrophobicContact CG1-CG2 4.15Å; V162-V166 WeakPolarHBondContact O-CG2 3.31Å; V162-V166 PolarHBondContact O-N 2.92Å; M163-V166 PolarHBondContact O-N 3.04Å |
| 167 | S | 86.2 | Confident | 90.5 | Very high | 49 Ų | 49 | 54.6 Ų | 54.6 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -77.1 | -33.3 | -172.8 | 63.8 | 0 | 0 | 0 | 0 | 113.9 | M163 W217 | M163-S167 WeakPolarHBondContact O-CB 3.35Å; M163-S167 PolarHBondContact O-N 2.91Å; M163-S167 PolarHBondContact O-OG 2.97Å; S167-W217 VanDerWaalsContact OG-CA 3.3Å; S167-W217 WeakPolarHBondContact OG-CA 3.47Å |
| 168 | V | 87.4 | Confident | 90.5 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | trans | -142.5 | 136.8 | -172.5 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | S174 W217 | V168-S174 WeakPolarHBondContact CG1-OG 3.35Å; V168-W217 HydrophobicContact CG2-CB 4.33Å; V168-W217 VanDerWaalsContact CG2-CD1 3.42Å; V168-W217 HydrophobicContact CG2-CD2 3.73Å; V168-W217 HydrophobicContact CG2-CG 3.6Å; V168-W217 HydrophobicContact CG2-CZ2 4.31Å | ||
| 169 | Q | 84.2 | Confident | 90.5 | Very high | 193 Ų | 193 | 51 Ų | 51 | 90% | 0.902 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -65.9 | -61.7 | 176.2 | -65.4 | -179.3 | 19.9 | 0 | 0 | 111.3 | ||
| 170 | D | 90.3 | Very high | 90.7 | Very high | 113 Ų | 113 | 48.4 Ų | 48.4 | 60% | 0.604 | 26% | 0.26 | S | S | * | . | trans | -109.1 | 88.3 | 179.5 | -81.4 | -42.8 | 0 | 0 | 0 | 111.4 | N172 A173 S174 | D170-N172 VanDerWaalsContact C-N 3.33Å; D170-N172 PolarHBondContact O-N 3.36Å; D170-A173 HydrophobicContact CB-CB 3.89Å; D170-A173 PolarHBondContact O-N 3.48Å; D170-S174 PolarHBondContact O-N 3.37Å; D170-S174 PolarHBondContact O-OG 3.46Å | ||
| 171 | L | 89.7 | Confident | 90.9 | Very high | 19 Ų | 19 | 52.6 Ų | 52.6 | 10% | 0.099 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -49.5 | -52.1 | -179.2 | -162.6 | 78.9 | 0 | 0 | 0 | 112.2 | I158 S164 A173 S174 T175 W217 L219 | I158-L171 HydrophobicContact CD1-CD2 3.81Å; I158-L171 HydrophobicContact CG1-CD2 4.18Å; S164-L171 VanDerWaalsContact OG-CD2 3.3Å; S164-L171 WeakPolarHBondContact OG-CD2 3.35Å; L171-A173 PolarHBondContact O-N 3.2Å; L171-S174 PolarHBondContact O-N 2.85Å; L171-T175 WeakPolarHBondContact O-CB 3.43Å; L171-T175 PolarHBondContact O-N 3.31Å; L171-T175 PolarHBondContact O-OG1 2.99Å; L171-W217 HydrophobicContact CD1-CB 4.32Å; L171-L219 HydrophobicContact CD1-CD1 3.54Å; L171-L219 HydrophobicContact CD1-CD2 4.13Å; L171-L219 HydrophobicContact CD1-CG 4.09Å; L171-L219 HydrophobicContact CD2-CD1 4.42Å; L171-L219 HydrophobicContact CD2-CD2 3.57Å; L171-L219 HydrophobicContact CD2-CG 4.05Å; L171-L219 HydrophobicContact CG-CD1 4.16Å; L171-L219 HydrophobicContact CG-CD2 3.8Å; L171-L219 HydrophobicContact CG-CG 4.29Å |
| 172 | N | 90.9 | Very high | 91 | Very high | 77 Ų | 77 | 52.2 Ų | 52.2 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | -175.9 | -66.8 | -28.5 | 0 | 0 | 0 | 112.6 | D170 R176 | D170-N172 VanDerWaalsContact C-N 3.33Å; D170-N172 PolarHBondContact O-N 3.36Å; N172-R176 WeakPolarHBondContact O-CB 3.11Å; N172-R176 WeakPolarHBondContact O-CD 3.21Å; N172-R176 WeakPolarHBondContact O-CG 3.3Å; N172-R176 PolarHBondContact O-N 3.07Å; N172-R176 VanDerWaalsContact O-N 3.09Å |
| 173 | A | 92.2 | Very high | 91.2 | Very high | 56 Ų | 56 | 52.2 Ų | 52.2 | 46% | 0.463 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -72.4 | -45 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D170 L171 R176 M177 | D170-A173 HydrophobicContact CB-CB 3.89Å; D170-A173 PolarHBondContact O-N 3.48Å; L171-A173 PolarHBondContact O-N 3.2Å; A173-R176 PolarHBondContact O-N 3.39Å; A173-M177 PolarHBondContact O-N 2.91Å |
| 174 | S | 92.9 | Very high | 91.4 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 28% | 0.28 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 177.4 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | V168 D170 L171 R176 M177 T178 | V168-S174 WeakPolarHBondContact CG1-OG 3.35Å; D170-S174 PolarHBondContact O-N 3.37Å; D170-S174 PolarHBondContact O-OG 3.46Å; L171-S174 PolarHBondContact O-N 2.85Å; S174-R176 PolarHBondContact O-N 3.37Å; S174-M177 PolarHBondContact O-N 3.07Å; S174-T178 PolarHBondContact O-N 3.11Å; S174-T178 PolarHBondContact O-OG1 2.8Å |
| 175 | T | 92.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 176 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | F133 L171 T178 A179 T214 | F133-T175 HydrophobicContact CE1-CG2 3.65Å; F133-T175 HydrophobicContact CZ-CG2 3.69Å; L171-T175 WeakPolarHBondContact O-CB 3.43Å; L171-T175 PolarHBondContact O-N 3.31Å; L171-T175 PolarHBondContact O-OG1 2.99Å; T175-T178 PolarHBondContact O-N 3.22Å; T175-A179 WeakPolarHBondContact O-CB 3.43Å; T175-A179 PolarHBondContact O-N 2.68Å; T175-T214 HydrophobicContact CG2-CG2 4.06Å |
| 176 | R | 94.1 | Very high | 91.7 | Very high | 110 Ų | 110 | 56.4 Ų | 56.4 | 42% | 0.415 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 174 | -78.4 | 170.6 | -170.4 | -140.7 | 5.7 | 112.1 | F133 N172 A173 S174 A179 Q180 | F133-R176 HydrophobicContact CD1-CG 4.48Å; F133-R176 HydrophobicContact CD2-CG 3.43Å; F133-R176 VanDerWaalsContact CD2-CG 3.43Å; F133-R176 HydrophobicContact CE2-CB 4.37Å; F133-R176 HydrophobicContact CE2-CG 3.59Å; F133-R176 HydrophobicContact CG-CG 3.97Å; F133-R176 HydrophobicContact CZ-CG 4.25Å; N172-R176 WeakPolarHBondContact O-CB 3.11Å; N172-R176 WeakPolarHBondContact O-CD 3.21Å; N172-R176 WeakPolarHBondContact O-CG 3.3Å; N172-R176 PolarHBondContact O-N 3.07Å; N172-R176 VanDerWaalsContact O-N 3.09Å; A173-R176 PolarHBondContact O-N 3.39Å; S174-R176 PolarHBondContact O-N 3.37Å; R176-A179 PolarHBondContact O-N 3.27Å; R176-Q180 VanDerWaalsContact O-CB 3.32Å; R176-Q180 WeakPolarHBondContact O-CB 3.35Å; R176-Q180 PolarHBondContact O-N 3.02Å |
| 177 | M | 93.6 | Very high | 91.9 | Very high | 109 Ų | 109 | 53.7 Ų | 53.7 | 54% | 0.537 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64 | -46.4 | 179.4 | -174.7 | 64.8 | 120.7 | 0 | 0 | 111.8 | A173 S174 A179 Q180 N181 | A173-M177 PolarHBondContact O-N 2.91Å; S174-M177 PolarHBondContact O-N 3.07Å; M177-A179 PolarHBondContact O-N 3.3Å; M177-Q180 PolarHBondContact O-N 2.91Å; M177-N181 WeakPolarHBondContact O-CB 2.98Å; M177-N181 PolarHBondContact O-N 2.95Å |
| 178 | T | 93.8 | Very high | 92.2 | Very high | 26 Ų | 26 | 53.5 Ų | 53.5 | 16% | 0.16 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.4 | -45 | 177.3 | -68 | 0 | 0 | 0 | 0 | 111.7 | S174 T175 N181 A182 M213 W217 | S174-T178 PolarHBondContact O-N 3.11Å; S174-T178 PolarHBondContact O-OG1 2.8Å; T175-T178 PolarHBondContact O-N 3.22Å; T178-N181 PolarHBondContact O-N 2.95Å; T178-A182 WeakPolarHBondContact O-CB 3.14Å; T178-A182 PolarHBondContact O-N 3.32Å; T178-M213 HydrophobicContact CG2-CB 3.93Å; T178-M213 HydrophobicContact CG2-CG 4.48Å; T178-M213 HydrophobicContact CG2-SD 3.73Å; T178-W217 VanDerWaalsContact OG1-CH2 3.28Å; T178-W217 WeakPolarHBondContact OG1-CH2 3.43Å |
| 179 | A | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I135 I154 T175 R176 M177 N181 A182 L183 I210 | I135-A179 HydrophobicContact CD1-CB 3.44Å; I135-A179 VanDerWaalsContact CD1-CB 3.44Å; I154-A179 HydrophobicContact CD1-CB 3.34Å; T175-A179 WeakPolarHBondContact O-CB 3.43Å; T175-A179 PolarHBondContact O-N 2.68Å; R176-A179 PolarHBondContact O-N 3.27Å; M177-A179 PolarHBondContact O-N 3.3Å; A179-N181 VanDerWaalsContact C-N 3.34Å; A179-N181 PolarHBondContact O-N 3.13Å; A179-A182 PolarHBondContact O-N 3.5Å; A179-L183 WeakPolarHBondContact O-CB 3.29Å; A179-L183 PolarHBondContact O-N 3Å; A179-I210 HydrophobicContact CB-CD1 3.77Å; A179-I210 HydrophobicContact CB-CG1 4.45Å |
| 180 | Q | 94.7 | Very high | 93 | Very high | 61 Ų | 61 | 51.3 Ų | 51.3 | 29% | 0.285 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 174.1 | -177.3 | -178.5 | 4.2 | 0 | 0 | 111.6 | I135 C138 R176 M177 T184 | I135-Q180 HydrophobicContact CG2-CB 4.18Å; I135-Q180 HydrophobicContact CG2-CG 4.44Å; C138-Q180 PolarHBondContact SG-NE2 3.01Å; R176-Q180 VanDerWaalsContact O-CB 3.32Å; R176-Q180 WeakPolarHBondContact O-CB 3.35Å; R176-Q180 PolarHBondContact O-N 3.02Å; M177-Q180 PolarHBondContact O-N 2.91Å; Q180-T184 WeakPolarHBondContact O-CB 3.25Å; Q180-T184 PolarHBondContact O-N 3.23Å; Q180-T184 PolarHBondContact O-OG1 2.95Å |
| 181 | N | 94.2 | Very high | 93.1 | Very high | 96 Ų | 96 | 47.5 Ų | 47.5 | 51% | 0.513 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.6 | -46.8 | 176.6 | -73.3 | -13 | 0 | 0 | 0 | 111.6 | M177 T178 A179 L183 T184 H185 | M177-N181 WeakPolarHBondContact O-CB 2.98Å; M177-N181 PolarHBondContact O-N 2.95Å; T178-N181 PolarHBondContact O-N 2.95Å; A179-N181 VanDerWaalsContact C-N 3.34Å; A179-N181 PolarHBondContact O-N 3.13Å; N181-L183 VanDerWaalsContact C-N 3.33Å; N181-L183 PolarHBondContact O-N 3.14Å; N181-T184 PolarHBondContact O-N 3.34Å; N181-H185 WeakPolarHBondContact O-CB 3.43Å; N181-H185 PolarHBondContact O-N 2.84Å |
| 182 | A | 94.1 | Very high | 93.2 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.4 | -41 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | T178 A179 S186 L206 I210 | T178-A182 WeakPolarHBondContact O-CB 3.14Å; T178-A182 PolarHBondContact O-N 3.32Å; A179-A182 PolarHBondContact O-N 3.5Å; A182-S186 VanDerWaalsContact O-CB 3.31Å; A182-S186 WeakPolarHBondContact O-CB 3.44Å; A182-S186 PolarHBondContact O-N 3.15Å; A182-S186 PolarHBondContact O-OG 3.29Å; A182-L206 HydrophobicContact CB-CD1 3.72Å; A182-I210 HydrophobicContact CB-CD1 4.43Å; A182-I210 HydrophobicContact CB-CG1 3.8Å |
| 183 | L | 93.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -50.6 | 176.1 | -179.8 | 131.3 | 0 | 0 | 0 | 111.3 | V150 A152 A179 N181 H185 S186 L187 L206 L226 | V150-L183 HydrophobicContact CG1-CD1 4.05Å; V150-L183 HydrophobicContact CG1-CD2 4.11Å; V150-L183 HydrophobicContact CG1-CG 4.45Å; A152-L183 HydrophobicContact CB-CD1 3.68Å; A179-L183 WeakPolarHBondContact O-CB 3.29Å; A179-L183 PolarHBondContact O-N 3Å; N181-L183 VanDerWaalsContact C-N 3.33Å; N181-L183 PolarHBondContact O-N 3.14Å; L183-H185 VanDerWaalsContact C-N 3.34Å; L183-H185 PolarHBondContact O-N 3.2Å; L183-S186 PolarHBondContact O-N 3.41Å; L183-L187 HydrophobicContact CD1-CD1 4.42Å; L183-L187 HydrophobicContact CD2-CD1 3.55Å; L183-L187 HydrophobicContact CG-CD1 3.63Å; L183-L187 HydrophobicContact CG-CG 4.39Å; L183-L187 VanDerWaalsContact O-CB 3.3Å; L183-L187 WeakPolarHBondContact O-CB 3.19Å; L183-L187 WeakPolarHBondContact O-CG 3.47Å; L183-L187 PolarHBondContact O-N 3.5Å; L183-L206 HydrophobicContact CB-CD2 4.17Å; L183-L206 HydrophobicContact CD1-CD2 4.01Å; L183-L206 HydrophobicContact CG-CD2 4.42Å; L183-L226 HydrophobicContact CD1-CD2 3.55Å |
| 184 | T | 93.1 | Very high | 93.2 | Very high | 51 Ų | 51 | 55.2 Ų | 55.2 | 31% | 0.313 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 178.9 | -55 | 0 | 0 | 0 | 0 | 111.3 | V140 Q180 N181 S188 | V140-T184 HydrophobicContact CG1-CG2 4.33Å; V140-T184 HydrophobicContact CG2-CG2 4.29Å; Q180-T184 WeakPolarHBondContact O-CB 3.25Å; Q180-T184 PolarHBondContact O-N 3.23Å; Q180-T184 PolarHBondContact O-OG1 2.95Å; N181-T184 PolarHBondContact O-N 3.34Å; T184-S188 WeakPolarHBondContact O-CB 3.29Å; T184-S188 PolarHBondContact O-N 3.35Å; T184-S188 PolarHBondContact O-OG 3.36Å |
| 185 | H | 93.6 | Very high | 93.1 | Very high | 93 Ų | 93 | 53.4 Ų | 53.4 | 43% | 0.431 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 178.4 | 176.1 | -114.8 | 0 | 0 | 0 | 112.7 | N181 L183 S188 K189 | N181-H185 WeakPolarHBondContact O-CB 3.43Å; N181-H185 PolarHBondContact O-N 2.84Å; L183-H185 VanDerWaalsContact C-N 3.34Å; L183-H185 PolarHBondContact O-N 3.2Å; H185-S188 PolarHBondContact O-OG 3.02Å; H185-K189 PolarHBondContact CE1-NZ 3.11Å; H185-K189 VanDerWaalsContact NE2-CE 3.28Å; H185-K189 WeakPolarHBondContact NE2-CE 3.42Å; H185-K189 PolarHBondContact NE2-NZ 2.6Å |
| 186 | S | 93 | Very high | 92.9 | Very high | 8 Ų | 8 | 59 Ų | 59 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -74.5 | -38.9 | 178.9 | -64.7 | 0 | 0 | 0 | 0 | 112.7 | A182 L183 | A182-S186 VanDerWaalsContact O-CB 3.31Å; A182-S186 WeakPolarHBondContact O-CB 3.44Å; A182-S186 PolarHBondContact O-N 3.15Å; A182-S186 PolarHBondContact O-OG 3.29Å; L183-S186 PolarHBondContact O-N 3.41Å |
| 187 | L | 92.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -72.7 | -35.6 | -179.4 | -70 | 172.5 | 0 | 0 | 0 | 112.8 | V140 L148 V150 L183 K189 K190 I195 L202 | V140-L187 HydrophobicContact CG1-CB 3.91Å; V140-L187 HydrophobicContact CG2-CD1 4.4Å; L148-L187 HydrophobicContact CD1-CD1 4.41Å; V150-L187 HydrophobicContact CB-CD1 3.9Å; V150-L187 HydrophobicContact CG1-CD1 3.71Å; V150-L187 HydrophobicContact CG2-CD1 4.36Å; L183-L187 HydrophobicContact CD1-CD1 4.42Å; L183-L187 HydrophobicContact CD2-CD1 3.55Å; L183-L187 HydrophobicContact CG-CD1 3.63Å; L183-L187 HydrophobicContact CG-CG 4.39Å; L183-L187 VanDerWaalsContact O-CB 3.3Å; L183-L187 WeakPolarHBondContact O-CB 3.19Å; L183-L187 WeakPolarHBondContact O-CG 3.47Å; L183-L187 PolarHBondContact O-N 3.5Å; L187-K189 PolarHBondContact O-N 3.21Å; L187-K190 PolarHBondContact O-N 3.36Å; L187-I195 HydrophobicContact CD2-CD1 3.77Å; L187-I195 HydrophobicContact CD2-CG1 3.95Å; L187-I195 HydrophobicContact CD2-CG2 3.82Å; L187-L202 HydrophobicContact CD2-CD2 3.63Å |
| 188 | S | 92.8 | Very high | 92.7 | Very high | 46 Ų | 46 | 57.7 Ų | 57.7 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.5 | -25 | 179.8 | 57.1 | 0 | 0 | 0 | 0 | 114 | V141 R143 T184 H185 | V141-S188 WeakPolarHBondContact O-CA 3.3Å; R143-S188 PolarHBondContact N-O 3.39Å; T184-S188 WeakPolarHBondContact O-CB 3.29Å; T184-S188 PolarHBondContact O-N 3.35Å; T184-S188 PolarHBondContact O-OG 3.36Å; H185-S188 PolarHBondContact O-OG 3.02Å |
| 189 | K | 92.9 | Very high | 92.6 | Very high | 122 Ų | 122 | 63 Ų | 63 | 53% | 0.53 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -15.9 | 179.3 | -63.8 | 179.1 | -173.1 | 179 | 0 | 113.9 | H185 L187 | H185-K189 PolarHBondContact CE1-NZ 3.11Å; H185-K189 VanDerWaalsContact NE2-CE 3.28Å; H185-K189 WeakPolarHBondContact NE2-CE 3.42Å; H185-K189 PolarHBondContact NE2-NZ 2.6Å; L187-K189 PolarHBondContact O-N 3.21Å |
| 190 | K | 93.6 | Very high | 92.6 | Very high | 44 Ų | 44 | 68.5 Ų | 68.5 | 19% | 0.191 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -103.5 | 158.7 | -176.7 | -66.6 | -162.4 | 176.5 | -162.6 | 0 | 111.5 | T142 R143 L187 I195 L202 | T142-K190 VanDerWaalsContact CB-O 3.28Å; T142-K190 WeakPolarHBondContact CB-O 3.47Å; R143-K190 PolarHBondContact N-O 2.88Å; L187-K190 PolarHBondContact O-N 3.36Å; K190-I195 HydrophobicContact CB-CD1 4.06Å; K190-I195 HydrophobicContact CB-CG1 3.7Å; K190-I195 HydrophobicContact CD-CG1 4.47Å; K190-L202 HydrophobicContact CD-CD1 4.05Å |
| 191 | T | 93.5 | Very high | 92.6 | Very high | 33 Ų | 33 | 71.7 Ų | 71.7 | 20% | 0.202 | 34% | 0.344 | C | S | . | . | trans | -84.7 | 152.4 | 174 | -51.8 | 0 | 0 | 0 | 0 | 110.1 | D144 R193 E194 I195 | D144-T191 HydrophobicContact CB-CG2 3.98Å; D144-T191 VanDerWaalsContact CG-CG2 3.49Å; D144-T191 VanDerWaalsContact OD2-CG2 3.26Å; D144-T191 WeakPolarHBondContact OD2-CG2 3.37Å; T191-R193 VanDerWaalsContact C-N 3.25Å; T191-R193 PolarHBondContact O-N 3.02Å; T191-E194 PolarHBondContact N-OE2 2.73Å; T191-E194 WeakPolarHBondContact O-CB 3.48Å; T191-E194 PolarHBondContact O-N 3.3Å; T191-E194 VanDerWaalsContact O-N 3.08Å; T191-E194 PolarHBondContact OG1-OE2 3.02Å; T191-I195 WeakPolarHBondContact O-CG1 3.45Å; T191-I195 PolarHBondContact O-N 2.9Å | ||
| 192 | I | 91.4 | Very high | 92.5 | Very high | 33 Ų | 33 | 67.2 Ų | 67.2 | 17% | 0.169 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -51.1 | -46 | 176.7 | -61.3 | -170.7 | 0 | 0 | 0 | 112 | T142 D144 L148 E194 I195 Q196 | T142-I192 HydrophobicContact CG2-CG1 4.03Å; T142-I192 WeakPolarHBondContact OG1-CG1 3.34Å; D144-I192 PolarHBondContact OD1-N 2.83Å; L148-I192 HydrophobicContact CD2-CG1 4.1Å; I192-E194 VanDerWaalsContact C-N 3.35Å; I192-E194 PolarHBondContact O-N 3Å; I192-I195 PolarHBondContact O-N 3.35Å; I192-Q196 PolarHBondContact O-N 3.47Å |
| 193 | R | 90.9 | Very high | 92.5 | Very high | 199 Ų | 199 | 68.2 Ų | 68.2 | 75% | 0.751 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.8 | -41.2 | -179.7 | -74.9 | -177.2 | 157.3 | 158.1 | -3.6 | 112.6 | T191 Q196 T197 | T191-R193 VanDerWaalsContact C-N 3.25Å; T191-R193 PolarHBondContact O-N 3.02Å; R193-Q196 PolarHBondContact O-N 3.03Å; R193-T197 WeakPolarHBondContact O-CB 3.33Å; R193-T197 PolarHBondContact O-N 3.3Å; R193-T197 PolarHBondContact O-OG1 2.9Å |
| 194 | E | 91.4 | Very high | 92.6 | Very high | 82 Ų | 82 | 75.5 Ų | 75.5 | 38% | 0.383 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 177.6 | -67.8 | 168.5 | 174.5 | 0 | 0 | 110.7 | T191 I192 Q196 T197 E198 | T191-E194 PolarHBondContact N-OE2 2.73Å; T191-E194 WeakPolarHBondContact O-CB 3.48Å; T191-E194 PolarHBondContact O-N 3.3Å; T191-E194 VanDerWaalsContact O-N 3.08Å; T191-E194 PolarHBondContact OG1-OE2 3.02Å; I192-E194 VanDerWaalsContact C-N 3.35Å; I192-E194 PolarHBondContact O-N 3Å; E194-Q196 VanDerWaalsContact C-N 3.31Å; E194-Q196 PolarHBondContact O-N 2.95Å; E194-T197 PolarHBondContact O-N 3.35Å; E194-E198 WeakPolarHBondContact O-CA 3.45Å; E194-E198 VanDerWaalsContact O-CB 3.31Å; E194-E198 WeakPolarHBondContact O-CB 3.46Å; E194-E198 PolarHBondContact O-N 3.27Å |
| 195 | I | 91.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 78.8 Ų | 78.8 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 178.7 | -65.4 | 162.3 | 0 | 0 | 0 | 111 | T142 L148 L187 K190 T191 I192 R199 L202 F228 | T142-I195 HydrophobicContact CG2-CD1 3.64Å; L148-I195 HydrophobicContact CD2-CD1 3.9Å; L187-I195 HydrophobicContact CD2-CD1 3.77Å; L187-I195 HydrophobicContact CD2-CG1 3.95Å; L187-I195 HydrophobicContact CD2-CG2 3.82Å; K190-I195 HydrophobicContact CB-CD1 4.06Å; K190-I195 HydrophobicContact CB-CG1 3.7Å; K190-I195 HydrophobicContact CD-CG1 4.47Å; T191-I195 WeakPolarHBondContact O-CG1 3.45Å; T191-I195 PolarHBondContact O-N 2.9Å; I192-I195 PolarHBondContact O-N 3.35Å; I195-R199 PolarHBondContact O-N 3.22Å; I195-L202 HydrophobicContact CG1-CD2 4.37Å; I195-L202 HydrophobicContact CG2-CD2 4.15Å; I195-F228 HydrophobicContact CG2-CE1 3.41Å; I195-F228 VanDerWaalsContact CG2-CE1 3.41Å; I195-F228 HydrophobicContact CG2-CZ 3.71Å |
| 196 | Q | 88.8 | Confident | 92.8 | Very high | 118 Ų | 118 | 74.5 Ų | 74.5 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -71.9 | -41.4 | 177.5 | -71 | -179.7 | -19 | 0 | 0 | 112.8 | I192 R193 E194 | I192-Q196 PolarHBondContact O-N 3.47Å; R193-Q196 PolarHBondContact O-N 3.03Å; E194-Q196 VanDerWaalsContact C-N 3.31Å; E194-Q196 PolarHBondContact O-N 2.95Å |
| 197 | T | 91.7 | Very high | 92.9 | Very high | 122 Ų | 122 | 74.8 Ų | 74.8 | 75% | 0.748 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -78.3 | -38 | -175 | -45.3 | 0 | 0 | 0 | 0 | 111.8 | R193 E194 | R193-T197 WeakPolarHBondContact O-CB 3.33Å; R193-T197 PolarHBondContact O-N 3.3Å; R193-T197 PolarHBondContact O-OG1 2.9Å; E194-T197 PolarHBondContact O-N 3.35Å |
| 198 | E | 93.1 | Very high | 93 | Very high | 70 Ų | 70 | 81 Ų | 81 | 33% | 0.327 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 28.1 | -174.2 | -55.8 | -157.7 | 128.6 | 0 | 0 | 113.6 | E194 L200 K201 L202 | E194-E198 WeakPolarHBondContact O-CA 3.45Å; E194-E198 VanDerWaalsContact O-CB 3.31Å; E194-E198 WeakPolarHBondContact O-CB 3.46Å; E194-E198 PolarHBondContact O-N 3.27Å; E198-L200 VanDerWaalsContact C-N 3.27Å; E198-L200 PolarHBondContact O-N 3.31Å; E198-L200 VanDerWaalsContact O-N 3.16Å; E198-K201 HydrophobicContact CB-CB 4.48Å; E198-K201 HydrophobicContact CB-CD 4.38Å; E198-K201 PolarHBondContact O-N 2.88Å; E198-K201 VanDerWaalsContact O-N 3.16Å; E198-K201 IonicContact OE1-NZ 2.8Å; E198-K201 PolarHBondContact OE1-NZ 2.54Å; E198-L202 PolarHBondContact O-N 3.13Å |
| 199 | R | 91.5 | Very high | 93.1 | Very high | 138 Ų | 138 | 80.1 Ų | 80.1 | 52% | 0.521 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -52.4 | -42.1 | -174.5 | 76.2 | 179.9 | -173 | 169.8 | 1.8 | 113.8 | I195 L202 E203 | I195-R199 PolarHBondContact O-N 3.22Å; R199-L202 WeakPolarHBondContact O-CB 3.5Å; R199-L202 PolarHBondContact O-N 3.47Å; R199-E203 WeakPolarHBondContact O-CG 3.47Å; R199-E203 PolarHBondContact O-N 2.98Å |
| 200 | L | 93.7 | Very high | 93.2 | Very high | 116 Ų | 116 | 74.3 Ų | 74.3 | 61% | 0.607 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.8 | -41.6 | -176.7 | -66 | 175.1 | 0 | 0 | 0 | 111.6 | E198 L202 E203 E204 | E198-L200 VanDerWaalsContact C-N 3.27Å; E198-L200 PolarHBondContact O-N 3.31Å; E198-L200 VanDerWaalsContact O-N 3.16Å; L200-L202 VanDerWaalsContact C-N 3.27Å; L200-L202 PolarHBondContact O-N 3.1Å; L200-E203 PolarHBondContact O-N 2.98Å; L200-E204 PolarHBondContact O-N 3.02Å |
| 201 | K | 93.9 | Very high | 93.3 | Very high | 127 Ų | 127 | 74.5 Ų | 74.5 | 55% | 0.552 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.8 | -35.8 | 175 | -67 | 179.2 | -175.6 | 172.6 | 0 | 111.1 | E198 Y205 | E198-K201 HydrophobicContact CB-CB 4.48Å; E198-K201 HydrophobicContact CB-CD 4.38Å; E198-K201 PolarHBondContact O-N 2.88Å; E198-K201 VanDerWaalsContact O-N 3.16Å; E198-K201 IonicContact OE1-NZ 2.8Å; E198-K201 PolarHBondContact OE1-NZ 2.54Å; K201-Y205 WeakPolarHBondContact O-CB 3.38Å; K201-Y205 PolarHBondContact O-N 2.98Å |
| 202 | L | 93.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 77.5 Ų | 77.5 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.7 | -41.2 | 177.5 | -177.7 | 62.8 | 0 | 0 | 0 | 111.8 | L187 K190 I195 E198 R199 L200 Y205 L206 L226 | L187-L202 HydrophobicContact CD2-CD2 3.63Å; K190-L202 HydrophobicContact CD-CD1 4.05Å; I195-L202 HydrophobicContact CG1-CD2 4.37Å; I195-L202 HydrophobicContact CG2-CD2 4.15Å; E198-L202 PolarHBondContact O-N 3.13Å; R199-L202 WeakPolarHBondContact O-CB 3.5Å; R199-L202 PolarHBondContact O-N 3.47Å; L200-L202 VanDerWaalsContact C-N 3.27Å; L200-L202 PolarHBondContact O-N 3.1Å; L202-Y205 PolarHBondContact O-N 2.89Å; L202-L206 WeakPolarHBondContact O-CB 3.02Å; L202-L206 PolarHBondContact O-N 3.35Å; L202-L226 HydrophobicContact CB-CD1 4.43Å; L202-L226 HydrophobicContact CD2-CD1 3.69Å; L202-L226 HydrophobicContact CG-CD1 4Å |
| 203 | E | 94.8 | Very high | 93.2 | Very high | 25 Ų | 25 | 80.1 Ų | 80.1 | 12% | 0.117 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 174.1 | -77.8 | 170.7 | 175.3 | 0 | 0 | 111.5 | R199 L200 L206 G207 V224 L226 | R199-E203 WeakPolarHBondContact O-CG 3.47Å; R199-E203 PolarHBondContact O-N 2.98Å; L200-E203 PolarHBondContact O-N 2.98Å; E203-L206 PolarHBondContact O-N 2.92Å; E203-G207 PolarHBondContact O-N 3.14Å; E203-V224 WeakPolarHBondContact CG-O 3.24Å; E203-L226 HydrophobicContact CG-CB 4.39Å; E203-L226 HydrophobicContact CG-CD1 3.97Å; E203-L226 HydrophobicContact CG-CG 3.76Å; E203-L226 PolarHBondContact OE1-N 3.45Å |
| 204 | E | 95.1 | Very high | 93.3 | Very high | 154 Ų | 154 | 70.7 Ų | 70.7 | 72% | 0.72 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.8 | -47.1 | 176.6 | -174.6 | 176.3 | -168.7 | 0 | 0 | 111.9 | L200 L206 G207 M208 | L200-E204 PolarHBondContact O-N 3.02Å; E204-L206 PolarHBondContact O-N 2.92Å; E204-G207 PolarHBondContact O-N 3.27Å; E204-M208 PolarHBondContact O-N 2.7Å |
| 205 | Y | 94.6 | Very high | 93.3 | Very high | 119 Ų | 119 | 71.6 Ų | 71.6 | 47% | 0.467 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60 | -45.7 | 176.8 | 178.1 | -100.1 | 0 | 0 | 0 | 112.2 | K201 L202 M208 D209 | K201-Y205 WeakPolarHBondContact O-CB 3.38Å; K201-Y205 PolarHBondContact O-N 2.98Å; L202-Y205 PolarHBondContact O-N 2.89Å; Y205-M208 PolarHBondContact O-N 3.5Å; Y205-D209 PolarHBondContact O-N 3.4Å |
| 206 | L | 94.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 74.2 Ų | 74.2 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 178.7 | -177 | 61.6 | 0 | 0 | 0 | 111.4 | A182 L183 L202 E203 E204 M208 D209 I210 V224 L226 | A182-L206 HydrophobicContact CB-CD1 3.72Å; L183-L206 HydrophobicContact CB-CD2 4.17Å; L183-L206 HydrophobicContact CD1-CD2 4.01Å; L183-L206 HydrophobicContact CG-CD2 4.42Å; L202-L206 WeakPolarHBondContact O-CB 3.02Å; L202-L206 PolarHBondContact O-N 3.35Å; E203-L206 PolarHBondContact O-N 2.92Å; E204-L206 PolarHBondContact O-N 2.92Å; L206-M208 VanDerWaalsContact C-N 3.32Å; L206-M208 PolarHBondContact O-N 3.44Å; L206-D209 PolarHBondContact O-N 2.87Å; L206-I210 HydrophobicContact CD1-CD1 3.86Å; L206-I210 HydrophobicContact CD1-CG1 4.08Å; L206-I210 HydrophobicContact CD2-CD1 4.44Å; L206-I210 HydrophobicContact CG-CD1 3.75Å; L206-I210 HydrophobicContact CG-CG1 4.36Å; L206-I210 WeakPolarHBondContact O-CB 3.49Å; L206-I210 WeakPolarHBondContact O-CG1 3.43Å; L206-I210 PolarHBondContact O-N 3.3Å; L206-V224 HydrophobicContact CD2-CG1 3.99Å; L206-V224 HydrophobicContact CG-CG1 4.45Å; L206-L226 HydrophobicContact CD2-CD2 4.04Å |
| 207 | G | 94.9 | Very high | 93.2 | Very high | 15 Ų | 15 | 70.9 Ų | 70.9 | 16% | 0.155 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | E203 E204 N211 | E203-G207 PolarHBondContact O-N 3.14Å; E204-G207 PolarHBondContact O-N 3.27Å; G207-N211 WeakPolarHBondContact O-CB 3.29Å; G207-N211 PolarHBondContact O-N 2.91Å |
| 208 | M | 95 | Very high | 93.1 | Very high | 133 Ų | 133 | 65 Ų | 65 | 66% | 0.655 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.3 | -44.3 | 178.8 | -156.7 | 177.2 | 81.6 | 0 | 0 | 112.4 | E204 Y205 L206 N211 E212 | E204-M208 PolarHBondContact O-N 2.7Å; Y205-M208 PolarHBondContact O-N 3.5Å; L206-M208 VanDerWaalsContact C-N 3.32Å; L206-M208 PolarHBondContact O-N 3.44Å; M208-N211 PolarHBondContact O-N 2.91Å; M208-E212 PolarHBondContact O-N 2.75Å |
| 209 | D | 95.1 | Very high | 93.1 | Very high | 27 Ų | 27 | 61.8 Ų | 61.8 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 177.8 | -171.7 | 37.9 | 0 | 0 | 0 | 111.6 | Y205 L206 N211 E212 M213 | Y205-D209 PolarHBondContact O-N 3.4Å; L206-D209 PolarHBondContact O-N 2.87Å; D209-N211 PolarHBondContact O-N 2.91Å; D209-E212 PolarHBondContact O-N 3.04Å; D209-M213 PolarHBondContact O-N 2.94Å |
| 210 | I | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 177 | -63.4 | 170.5 | 0 | 0 | 0 | 110.1 | I154 A179 A182 L206 E212 M213 T214 V221 | I154-I210 HydrophobicContact CD1-CD1 3.81Å; A179-I210 HydrophobicContact CB-CD1 3.77Å; A179-I210 HydrophobicContact CB-CG1 4.45Å; A182-I210 HydrophobicContact CB-CD1 4.43Å; A182-I210 HydrophobicContact CB-CG1 3.8Å; L206-I210 HydrophobicContact CD1-CD1 3.86Å; L206-I210 HydrophobicContact CD1-CG1 4.08Å; L206-I210 HydrophobicContact CD2-CD1 4.44Å; L206-I210 HydrophobicContact CG-CD1 3.75Å; L206-I210 HydrophobicContact CG-CG1 4.36Å; L206-I210 WeakPolarHBondContact O-CB 3.49Å; L206-I210 WeakPolarHBondContact O-CG1 3.43Å; L206-I210 PolarHBondContact O-N 3.3Å; I210-E212 VanDerWaalsContact C-N 3.29Å; I210-E212 PolarHBondContact O-N 3.01Å; I210-M213 PolarHBondContact O-N 3.12Å; I210-M213 VanDerWaalsContact O-N 3.14Å; I210-T214 HydrophobicContact CG2-CG2 3.87Å; I210-T214 WeakPolarHBondContact O-CG2 3.35Å; I210-T214 PolarHBondContact O-N 3.29Å; I210-T214 PolarHBondContact O-OG1 2.88Å; I210-V221 HydrophobicContact CB-CG2 4.42Å; I210-V221 HydrophobicContact CG2-CG2 3.81Å |
| 211 | N | 94.9 | Very high | 93.3 | Very high | 48 Ų | 48 | 53.7 Ų | 53.7 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60 | -39.3 | -179.9 | -170.3 | 59.9 | 0 | 0 | 0 | 112.1 | G207 M208 D209 M213 T214 H215 V221 | G207-N211 WeakPolarHBondContact O-CB 3.29Å; G207-N211 PolarHBondContact O-N 2.91Å; M208-N211 PolarHBondContact O-N 2.91Å; D209-N211 PolarHBondContact O-N 2.91Å; N211-M213 VanDerWaalsContact C-N 3.34Å; N211-M213 PolarHBondContact O-N 3.35Å; N211-T214 WeakPolarHBondContact CA-OG1 3.48Å; N211-T214 PolarHBondContact O-N 2.96Å; N211-T214 PolarHBondContact O-OG1 3.24Å; N211-H215 WeakPolarHBondContact O-CB 3.14Å; N211-H215 PolarHBondContact O-N 3.06Å; N211-V221 HydrophobicContact CB-CB 4.24Å; N211-V221 HydrophobicContact CB-CG2 4.27Å; N211-V221 PolarHBondContact OD1-N 3.12Å; N211-V221 VanDerWaalsContact OD1-N 3.13Å |
| 212 | E | 93.4 | Very high | 93.2 | Very high | 95 Ų | 95 | 50.8 Ų | 50.8 | 44% | 0.444 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.5 | -40.6 | 176.5 | -175.5 | 173.3 | -175 | 0 | 0 | 112.4 | K19 M208 D209 I210 | K19-E212 PolarHBondContact NZ-O 3.05Å; M208-E212 PolarHBondContact O-N 2.75Å; D209-E212 PolarHBondContact O-N 3.04Å; I210-E212 VanDerWaalsContact C-N 3.29Å; I210-E212 PolarHBondContact O-N 3.01Å |
| 213 | M | 91.3 | Very high | 93.3 | Very high | 89 Ų | 89 | 57 Ų | 57 | 44% | 0.438 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -72.8 | -34.6 | 177.8 | -63.9 | -171.2 | -170.7 | 0 | 0 | 112.7 | T178 D209 I210 N211 P216 | T178-M213 HydrophobicContact CG2-CB 3.93Å; T178-M213 HydrophobicContact CG2-CG 4.48Å; T178-M213 HydrophobicContact CG2-SD 3.73Å; D209-M213 PolarHBondContact O-N 2.94Å; I210-M213 PolarHBondContact O-N 3.12Å; I210-M213 VanDerWaalsContact O-N 3.14Å; N211-M213 VanDerWaalsContact C-N 3.34Å; N211-M213 PolarHBondContact O-N 3.35Å; M213-P216 WeakPolarHBondContact O-CD 3.18Å; M213-P216 WeakPolarHBondContact O-CG 3.33Å |
| 214 | T | 91.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -91 | -14.5 | -176 | 60.5 | 0 | 0 | 0 | 0 | 114.2 | T175 I210 N211 P216 W217 | T175-T214 HydrophobicContact CG2-CG2 4.06Å; I210-T214 HydrophobicContact CG2-CG2 3.87Å; I210-T214 WeakPolarHBondContact O-CG2 3.35Å; I210-T214 PolarHBondContact O-N 3.29Å; I210-T214 PolarHBondContact O-OG1 2.88Å; N211-T214 WeakPolarHBondContact CA-OG1 3.48Å; N211-T214 PolarHBondContact O-N 2.96Å; N211-T214 PolarHBondContact O-OG1 3.24Å; T214-P216 VanDerWaalsContact C-CD 3.49Å; T214-W217 HydrophobicContact CG2-CE3 3.85Å; T214-W217 HydrophobicContact CG2-CZ3 3.88Å; T214-W217 WeakPolarHBondContact O-CB 3.35Å; T214-W217 PolarHBondContact O-N 2.78Å |
| 215 | H | 90.9 | Very high | 93.3 | Very high | 101 Ų | 101 | 51.8 Ų | 51.8 | 47% | 0.468 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -50 | -48.1 | 176.2 | -169.9 | -76.2 | 0 | 0 | 0 | 114.7 | N211 W217 G218 | N211-H215 WeakPolarHBondContact O-CB 3.14Å; N211-H215 PolarHBondContact O-N 3.06Å; H215-W217 PolarHBondContact O-N 3.15Å; H215-W217 VanDerWaalsContact O-N 3.15Å; H215-G218 PolarHBondContact O-N 3.19Å |
| 216 | P | 88.5 | Confident | 93.3 | Very high | 56 Ų | 56 | 47 Ų | 47 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -64.8 | -16.3 | 178.2 | 27.2 | -36.8 | 0 | 0 | 0 | 113.4 | M163 M213 T214 G218 | M163-P216 WeakPolarHBondContact CE-O 3.02Å; M213-P216 WeakPolarHBondContact O-CD 3.18Å; M213-P216 WeakPolarHBondContact O-CG 3.33Å; T214-P216 VanDerWaalsContact C-CD 3.49Å; P216-G218 VanDerWaalsContact C-N 3.29Å |
| 217 | W | 91.1 | Very high | 93.1 | Very high | 48 Ų | 48 | 50.3 Ų | 50.3 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -85.9 | -2.5 | 176.2 | -55.4 | -22.1 | 0 | 0 | 0 | 112.9 | M163 S164 S167 V168 L171 T178 T214 H215 L219 | M163-W217 CarbonylContact C-O 3.5Å; S164-W217 WeakPolarHBondContact CA-O 3.5Å; S164-W217 PolarHBondContact N-O 3.48Å; S164-W217 VanDerWaalsContact N-O 3.11Å; S167-W217 VanDerWaalsContact OG-CA 3.3Å; S167-W217 WeakPolarHBondContact OG-CA 3.47Å; V168-W217 HydrophobicContact CG2-CB 4.33Å; V168-W217 VanDerWaalsContact CG2-CD1 3.42Å; V168-W217 HydrophobicContact CG2-CD2 3.73Å; V168-W217 HydrophobicContact CG2-CG 3.6Å; V168-W217 HydrophobicContact CG2-CZ2 4.31Å; L171-W217 HydrophobicContact CD1-CB 4.32Å; T178-W217 VanDerWaalsContact OG1-CH2 3.28Å; T178-W217 WeakPolarHBondContact OG1-CH2 3.43Å; T214-W217 HydrophobicContact CG2-CE3 3.85Å; T214-W217 HydrophobicContact CG2-CZ3 3.88Å; T214-W217 WeakPolarHBondContact O-CB 3.35Å; T214-W217 PolarHBondContact O-N 2.78Å; H215-W217 PolarHBondContact O-N 3.15Å; H215-W217 VanDerWaalsContact O-N 3.15Å; W217-L219 HydrophobicContact CB-CD1 3.25Å; W217-L219 HydrophobicContact CE3-CD1 4.16Å; W217-L219 HydrophobicContact CG-CD1 4.34Å |
| 218 | G | 89.8 | Confident | 92.7 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 15.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | W159 N160 H215 P216 | W159-G218 PolarHBondContact N-O 3.15Å; N160-G218 PolarHBondContact N-O 2.92Å; H215-G218 PolarHBondContact O-N 3.19Å; P216-G218 VanDerWaalsContact C-N 3.29Å |
| 219 | L | 92.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 155.5 | 174.3 | -42.4 | 85.7 | 0 | 0 | 0 | 111.7 | F156 R157 L171 W217 | F156-L219 HydrophobicContact CD2-CD2 3.37Å; F156-L219 HydrophobicContact CD2-CG 4.45Å; F156-L219 HydrophobicContact CE2-CD2 3.59Å; F156-L219 HydrophobicContact CG-CD2 4.31Å; R157-L219 WeakPolarHBondContact O-CA 3.5Å; L171-L219 HydrophobicContact CD1-CD1 3.54Å; L171-L219 HydrophobicContact CD1-CD2 4.13Å; L171-L219 HydrophobicContact CD1-CG 4.09Å; L171-L219 HydrophobicContact CD2-CD1 4.42Å; L171-L219 HydrophobicContact CD2-CD2 3.57Å; L171-L219 HydrophobicContact CD2-CG 4.05Å; L171-L219 HydrophobicContact CG-CD1 4.16Å; L171-L219 HydrophobicContact CG-CD2 3.8Å; L171-L219 HydrophobicContact CG-CG 4.29Å; W217-L219 HydrophobicContact CB-CD1 3.25Å; W217-L219 HydrophobicContact CE3-CD1 4.16Å; W217-L219 HydrophobicContact CG-CD1 4.34Å |
| 220 | E | 93.1 | Very high | 90.1 | Very high | 65 Ų | 65 | 52.2 Ų | 52.2 | 30% | 0.304 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.4 | 171.5 | -172.6 | 179.1 | 163.6 | 0 | 0 | 108.2 | F156 R157 | F156-E220 CarbonylContact C-O 3.56Å; F156-E220 VanDerWaalsContact CA-O 3.26Å; F156-E220 WeakPolarHBondContact CA-O 3.36Å; F156-E220 WeakPolarHBondContact CB-O 3.48Å; R157-E220 HydrophobicContact CG-CB 4.2Å; R157-E220 IonicContact CZ-OE1 2.85Å; R157-E220 IonicContact CZ-OE2 3.51Å; R157-E220 PolarHBondContact N-O 3.33Å; R157-E220 IonicContact NE-OE2 2.88Å; R157-E220 IonicContact NH1-OE2 3.58Å; R157-E220 IonicContact NH2-OE1 3.79Å; R157-E220 PolarHBondContact NH2-OE1 3.47Å; R157-E220 IonicContact NH2-OE2 3.5Å; R157-E220 PolarHBondContact NH2-OE2 3.19Å; R157-E220 PolarHBondContact O-N 3.23Å |
| 221 | V | 95.4 | Very high | 88 | Confident | 20 Ų | 20 | 57 Ų | 57 | 12% | 0.121 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 116.8 | 177.7 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | I154 I210 N211 V224 | I154-V221 HydrophobicContact CG2-CG1 4Å; I210-V221 HydrophobicContact CB-CG2 4.42Å; I210-V221 HydrophobicContact CG2-CG2 3.81Å; N211-V221 HydrophobicContact CB-CB 4.24Å; N211-V221 HydrophobicContact CB-CG2 4.27Å; N211-V221 PolarHBondContact OD1-N 3.12Å; N211-V221 VanDerWaalsContact OD1-N 3.13Å; V221-V224 HydrophobicContact CG1-CG2 3.83Å |
| 222 | D | 93.5 | Very high | 85.9 | Confident | 66 Ų | 66 | 62.5 Ų | 62.5 | 35% | 0.353 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -42.7 | -179.3 | -67.2 | -38.6 | 0 | 0 | 0 | 110.8 | T130 Q155 R157 | T130-D222 VanDerWaalsContact CG2-OD2 3.23Å; T130-D222 WeakPolarHBondContact CG2-OD2 3.49Å; T130-D222 PolarHBondContact OG1-OD2 3.11Å; Q155-D222 PolarHBondContact O-N 3.44Å; R157-D222 VanDerWaalsContact CD-OD1 3.3Å; R157-D222 WeakPolarHBondContact CD-OD1 3.47Å; R157-D222 WeakPolarHBondContact CD-OD2 3.47Å; R157-D222 IonicContact NE-OD1 3.31Å; R157-D222 PolarHBondContact NE-OD1 2.63Å |
| 223 | R | 93.9 | Very high | 83.5 | Confident | 131 Ų | 131 | 67.1 Ų | 67.1 | 49% | 0.494 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 147.7 | -177.4 | -168.6 | 173 | -179.8 | -146.3 | -12.6 | 112.6 | Q155 E225 | Q155-R223 HydrophobicContact CB-CB 4.27Å; Q155-R223 PolarHBondContact N-O 2.99Å; Q155-R223 PolarHBondContact O-N 3.34Å; R223-E225 HydrophobicContact CG-CG 4.48Å; R223-E225 IonicContact CZ-OE1 3.07Å; R223-E225 IonicContact NE-OE1 2.83Å; R223-E225 IonicContact NH1-OE1 3.72Å; R223-E225 PolarHBondContact NH1-OE1 3.37Å; R223-E225 IonicContact NH2-OE1 2.66Å; R223-E225 PolarHBondContact NH2-OE1 3.29Å |
| 224 | V | 96.1 | Very high | 81 | Confident | 6 Ų | 6 | 67.1 Ų | 67.1 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 130 | 171 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | A152 I154 E203 L206 V221 | A152-V224 HydrophobicContact CB-CG1 4.45Å; I154-V224 HydrophobicContact CG1-CG1 4.24Å; I154-V224 HydrophobicContact CG1-CG2 4.29Å; I154-V224 HydrophobicContact CG2-CG2 4.4Å; E203-V224 WeakPolarHBondContact CG-O 3.24Å; L206-V224 HydrophobicContact CD2-CG1 3.99Å; L206-V224 HydrophobicContact CG-CG1 4.45Å; V221-V224 HydrophobicContact CG1-CG2 3.83Å |
| 225 | E | 94.6 | Very high | 78.5 | Confident | 65 Ų | 65 | 77.1 Ų | 77.1 | 30% | 0.304 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124.1 | 174.6 | -65.5 | -172.5 | 179.6 | 0 | 0 | 109.9 | A152 D153 R223 | A152-E225 CarbonylContact C-O 3.33Å; A152-E225 WeakPolarHBondContact CA-O 3.38Å; A152-E225 WeakPolarHBondContact CB-O 3.43Å; D153-E225 HydrophobicContact CB-CB 4.49Å; D153-E225 PolarHBondContact N-O 2.9Å; D153-E225 PolarHBondContact O-N 3.46Å; R223-E225 HydrophobicContact CG-CG 4.48Å; R223-E225 IonicContact CZ-OE1 3.07Å; R223-E225 IonicContact NE-OE1 2.83Å; R223-E225 IonicContact NH1-OE1 3.72Å; R223-E225 PolarHBondContact NH1-OE1 3.37Å; R223-E225 IonicContact NH2-OE1 2.66Å; R223-E225 PolarHBondContact NH2-OE1 3.29Å |
| 226 | L | 93.4 | Very high | 76.1 | Confident | 17 Ų | 17 | 75.2 Ų | 75.2 | 9% | 0.089 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 130.8 | 179.1 | -66.4 | 174.5 | 0 | 0 | 0 | 111.1 | V150 A152 L183 L202 E203 L206 F228 | V150-L226 HydrophobicContact CG1-CD2 4.35Å; A152-L226 HydrophobicContact CB-CD2 4.11Å; L183-L226 HydrophobicContact CD1-CD2 3.55Å; L202-L226 HydrophobicContact CB-CD1 4.43Å; L202-L226 HydrophobicContact CD2-CD1 3.69Å; L202-L226 HydrophobicContact CG-CD1 4Å; E203-L226 HydrophobicContact CG-CB 4.39Å; E203-L226 HydrophobicContact CG-CD1 3.97Å; E203-L226 HydrophobicContact CG-CG 3.76Å; E203-L226 PolarHBondContact OE1-N 3.45Å; L206-L226 HydrophobicContact CD2-CD2 4.04Å; L226-F228 HydrophobicContact CB-CE2 3.95Å; L226-F228 HydrophobicContact CB-CZ 3.94Å; L226-F228 HydrophobicContact CD1-CZ 4.21Å |
| 227 | T | 91.1 | Very high | 73.6 | Confident | 73 Ų | 73 | 82.2 Ų | 82.2 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.8 | 175.6 | -58.4 | 0 | 0 | 0 | 0 | 109.9 | V150 G151 | V150-T227 WeakPolarHBondContact CA-O 3.27Å; G151-T227 PolarHBondContact N-O 3.26Å; G151-T227 PolarHBondContact O-N 3.06Å; G151-T227 VanDerWaalsContact O-O 3.12Å |
| 228 | F | 87.9 | Confident | 70.9 | Confident | 80 Ų | 80 | 83.6 Ų | 83.6 | 35% | 0.351 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 122.5 | 178.4 | -58.1 | -84.3 | 0 | 0 | 0 | 110.2 | V150 I195 L226 | V150-F228 HydrophobicContact CG2-CD1 3.28Å; V150-F228 HydrophobicContact CG2-CE1 3.59Å; V150-F228 HydrophobicContact CG2-CG 4.25Å; I195-F228 HydrophobicContact CG2-CE1 3.41Å; I195-F228 VanDerWaalsContact CG2-CE1 3.41Å; I195-F228 HydrophobicContact CG2-CZ 3.71Å; L226-F228 HydrophobicContact CB-CE2 3.95Å; L226-F228 HydrophobicContact CB-CZ 3.94Å; L226-F228 HydrophobicContact CD1-CZ 4.21Å |
| 229 | G | 77.6 | Confident | 68.3 | Low | 30 Ų | 30 | 93.1 Ų | 93.1 | 31% | 0.309 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 147.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111 | L149 L231 | L149-G229 PolarHBondContact O-N 3.49Å; G229-L231 PolarHBondContact O-N 3.49Å |
| 230 | S | 57.8 | Low | 65.5 | Low | 105 Ų | 105 | 98.1 Ų | 98.1 | 73% | 0.734 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 125.1 | 175.8 | 49.9 | 0 | 0 | 0 | 0 | 110.9 | L232 | S230-L232 PolarHBondContact O-N 3.32Å; S230-L232 VanDerWaalsContact O-N 3.11Å |
| 231 | L | 50.9 | Low | 62.6 | Low | 101 Ų | 101 | 99.5 Ų | 99.5 | 53% | 0.529 | 58% | 0.578 | S | S | . | * | trans | -54 | 108.5 | 174.7 | -75.9 | 157.7 | 0 | 0 | 0 | 111.1 | V147 L148 G229 K233 | V147-L231 WeakPolarHBondContact O-CD2 3.34Å; L148-L231 HydrophobicContact CB-CD2 4.43Å; G229-L231 PolarHBondContact O-N 3.49Å; L231-K233 PolarHBondContact O-N 3.08Å | ||
| 232 | L | 48.9 | Very low | 59.7 | Low | 163 Ų | 163 | 104.4 Ų | 104.4 | 85% | 0.853 | 61% | 0.61 | S | S | * | * | trans | -84.3 | 67 | 162.5 | -81 | 164.4 | 0 | 0 | 0 | 109.5 | S230 | S230-L232 PolarHBondContact O-N 3.32Å; S230-L232 VanDerWaalsContact O-N 3.11Å | ||
| 233 | K | 43 | Very low | 56.8 | Low | 192 Ų | 192 | 109 Ų | 109 | 84% | 0.835 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -156.9 | 120.1 | 148.8 | -156.3 | 151.8 | -178.7 | 172.1 | 0 | 110.8 | L231 | L231-K233 PolarHBondContact O-N 3.08Š|
| 234 | A | 39.2 | Very low | 53.8 | Low | 90 Ų | 90 | 108.9 Ų | 108.9 | 74% | 0.744 | 65% | 0.648 | S | S | * | * | trans | -57.9 | 137 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G236 | A234-G236 PolarHBondContact O-N 3.35Š| ||
| 235 | Q | 40.1 | Very low | 50.6 | Low | 210 Ų | 210 | 115 Ų | 115 | 98% | 0.981 | 69% | 0.685 | S | S | * | * | trans | -71.9 | 103.5 | 157.7 | -173.6 | 170 | -77 | 0 | 0 | 108 | ||||
| 236 | G | 39.1 | Very low | 48 | Very low | 60 Ų | 60 | 117.7 Ų | 117.7 | 62% | 0.619 | 71% | 0.709 | S | S | * | * | trans | -178.9 | 124.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | A234 | A234-G236 PolarHBondContact O-N 3.35Š| ||
| 237 | E | 37.7 | Very low | 45 | Very low | 204 Ų | 204 | 121.2 Ų | 121.2 | 95% | 0.953 | 74% | 0.74 | S | S | * | * | S | Bend | cis | -144.8 | 149.8 | 23.1 | -70.1 | 158.6 | 111.7 | 0 | 0 | 108.5 | ||
| 238 | G | 34.6 | Very low | 42 | Very low | 77 Ų | 77 | 122.6 Ų | 122.6 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | 163.7 | 29.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 239 | Q | 34.1 | Very low | 39.3 | Very low | 199 Ų | 199 | 126.8 Ų | 126.8 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | -138.9 | 112.6 | 164.6 | -115.9 | 151.2 | 25.9 | 0 | 0 | 109.4 | ||||
| 240 | A | 34.5 | Very low | 37.2 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | trans | -71.4 | 131.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 241 | A | 31 | Very low | 35.9 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -150.4 | 126.5 | 152.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 242 | P | 34.8 | Very low | 35.1 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | -98.4 | 121.1 | -173.9 | 33.8 | -26.7 | 0 | 0 | 0 | 111.2 | ||||
| 243 | L | 33.3 | Very low | 34.5 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -146.9 | 101.4 | 167.1 | -83.9 | 168.9 | 0 | 0 | 0 | 111 | ||||
| 244 | T | 29.7 | Very low | 34 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | trans | 42.1 | 112.7 | 138.9 | 43 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 245 | T | 29.4 | Very low | 34.2 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -71.2 | 173.3 | 149.7 | 41.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 246 | P | 40.8 | Very low | 34.4 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | cis | -144.6 | 166.2 | 17.8 | 39.5 | -19 | 0 | 0 | 0 | 117.7 | ||||
| 247 | A | 29.6 | Very low | 34.6 | Very low | 90 Ų | 90 | 125.6 Ų | 125.6 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | trans | -178.6 | 99.7 | 148 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 248 | S | 28.8 | Very low | 34.7 | Very low | 103 Ų | 103 | 122.9 Ų | 122.9 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | 72.2 | 111.9 | 93.1 | 69.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 249 | L | 29.7 | Very low | 35.3 | Very low | 167 Ų | 167 | 124 Ų | 124 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | 169.2 | 158.1 | 133.8 | -92.8 | 153 | 0 | 0 | 0 | 111.1 | ||||
| 250 | P | 34.6 | Very low | 36.1 | Very low | 113 Ų | 113 | 120.1 Ų | 120.1 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | -116.1 | 164.8 | -110 | 40.1 | -28.8 | 0 | 0 | 0 | 115.1 | |||||
| 251 | S | 30.2 | Very low | 37.2 | Very low | 122 Ų | 122 | 118.3 Ų | 118.3 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -74.5 | 137.8 | 172.3 | -48.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 252 | A | 33.3 | Very low | 38.4 | Very low | 93 Ų | 93 | 120.2 Ų | 120.2 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -174.9 | 170.7 | 143 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 253 | P | 37.6 | Very low | 39.3 | Very low | 126 Ų | 126 | 120.8 Ų | 120.8 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | -110.2 | 168.1 | -88 | 29.8 | -10.8 | 0 | 0 | 0 | 112.8 | |||||
| 254 | G | 32.4 | Very low | 40.3 | Very low | 70 Ų | 70 | 120.1 Ų | 120.1 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | -67.1 | 180 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 255 | P | 42.4 | Very low | 41.2 | Very low | 134 Ų | 134 | 120.1 Ų | 120.1 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | -127.5 | 131.3 | 118.1 | 32.3 | -22.1 | 0 | 0 | 0 | 112.2 | |||||
| 256 | E | 44.3 | Very low | 42 | Very low | 202 Ų | 202 | 116.4 Ų | 116.4 | 94% | 0.944 | 72% | 0.722 | S | S | * | * | trans | -64.4 | 145.5 | 168.1 | -55.1 | -175.2 | 128.1 | 0 | 0 | 110.1 | ||||
| 257 | G | 44.8 | Very low | 42.4 | Very low | 67 Ų | 67 | 118 Ų | 118 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | trans | 154.9 | 6.5 | 165 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 258 | L | 39.8 | Very low | 43.2 | Very low | 146 Ų | 146 | 120.9 Ų | 120.9 | 76% | 0.764 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -133.4 | 7.7 | -178.1 | -83.2 | 164.2 | 0 | 0 | 0 | 115.9 | ||
| 259 | T | 46.6 | Very low | 44 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 63% | 0.626 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -88.4 | -25 | -179.9 | 47 | 0 | 0 | 0 | 0 | 113.9 | S261 I262 Q263 | T259-S261 VanDerWaalsContact C-N 3.34Å; T259-S261 PolarHBondContact O-N 2.87Å; T259-I262 PolarHBondContact O-N 3.05Å; T259-Q263 PolarHBondContact O-N 3Å |
| 260 | D | 50.9 | Low | 45 | Very low | 116 Ų | 116 | 124.2 Ų | 124.2 | 62% | 0.62 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -70.3 | -30.2 | -175.1 | -70.4 | -19.4 | 0 | 0 | 0 | 113.1 | I262 Q264 | D260-I262 VanDerWaalsContact C-N 3.34Å; D260-I262 PolarHBondContact O-N 3.47Å; D260-Q264 PolarHBondContact O-N 2.82Å; D260-Q264 VanDerWaalsContact O-N 3.12Å |
| 261 | S | 56.3 | Low | 45.5 | Very low | 69 Ų | 69 | 122.6 Ų | 122.6 | 48% | 0.483 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -71.5 | -28.7 | -179.2 | -39.6 | 0 | 0 | 0 | 0 | 112.9 | T259 L265 | T259-S261 VanDerWaalsContact C-N 3.34Å; T259-S261 PolarHBondContact O-N 2.87Å; S261-L265 PolarHBondContact O-N 2.87Å |
| 262 | I | 56.2 | Low | 46.4 | Very low | 133 Ų | 133 | 125 Ų | 125 | 68% | 0.682 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -84.5 | -33.9 | -178.4 | -60.8 | 177.4 | 0 | 0 | 0 | 110.6 | T259 D260 A266 | T259-I262 PolarHBondContact O-N 3.05Å; D260-I262 VanDerWaalsContact C-N 3.34Å; D260-I262 PolarHBondContact O-N 3.47Å; I262-A266 PolarHBondContact O-N 2.83Å |
| 263 | Q | 54 | Low | 46.6 | Very low | 135 Ų | 135 | 126.3 Ų | 126.3 | 63% | 0.631 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -71.6 | -33.5 | 172.9 | -96.6 | 166.2 | -34.8 | 0 | 0 | 112.9 | T259 A266 M267 | T259-Q263 PolarHBondContact O-N 3Å; Q263-A266 PolarHBondContact O-N 2.83Å; Q263-M267 PolarHBondContact O-N 2.95Å |
| 264 | Q | 54.2 | Low | 46.3 | Very low | 148 Ų | 148 | 124 Ų | 124 | 69% | 0.692 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -67.4 | -34.5 | 174.3 | -82.8 | -179.8 | -24.2 | 0 | 0 | 113.3 | D260 | D260-Q264 PolarHBondContact O-N 2.82Å; D260-Q264 VanDerWaalsContact O-N 3.12Å |
| 265 | L | 48.2 | Very low | 46.2 | Very low | 131 Ų | 131 | 126.4 Ų | 126.4 | 69% | 0.686 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -70.8 | -35.7 | 175.4 | -112.6 | 88.5 | 0 | 0 | 0 | 112.5 | S261 H268 | S261-L265 PolarHBondContact O-N 2.87Å; L265-H268 PolarHBondContact O-N 3.11Å |
| 266 | A | 46.9 | Very low | 45.5 | Very low | 55 Ų | 55 | 125.5 Ų | 125.5 | 46% | 0.455 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -69.6 | -31.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I262 Q263 | I262-A266 PolarHBondContact O-N 2.83Å; Q263-A266 PolarHBondContact O-N 2.83Å |
| 267 | M | 49.7 | Very low | 44.9 | Very low | 156 Ų | 156 | 123.7 Ų | 123.7 | 77% | 0.768 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -73.5 | -27 | 178.3 | -141.3 | 80.4 | -176 | 0 | 0 | 113 | Q263 | Q263-M267 PolarHBondContact O-N 2.95Å |
| 268 | H | 47.1 | Very low | 44.5 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -81.1 | -22.5 | -179.7 | -166.9 | -92.7 | 0 | 0 | 0 | 113.3 | L265 | L265-H268 PolarHBondContact O-N 3.11Å |
| 269 | F | 44.5 | Very low | 44.1 | Very low | 186 Ų | 186 | 126.9 Ų | 126.9 | 82% | 0.816 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -85.5 | -16.5 | -179.4 | -116.4 | -88.2 | 0 | 0 | 0 | 114.2 | ||
| 270 | L | 51.9 | Low | 43.1 | Very low | 153 Ų | 153 | 130.9 Ų | 130.9 | 80% | 0.801 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -95 | 3.1 | -176 | -75.4 | 166.2 | 0 | 0 | 0 | 114.5 | ||
| 271 | S | 44 | Very low | 42.1 | Very low | 80 Ų | 80 | 133.6 Ų | 133.6 | 56% | 0.559 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -99.4 | 0.3 | -174.9 | 77.9 | 0 | 0 | 0 | 0 | 115.5 | ||
| 272 | H | 48.5 | Very low | 40.7 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -129.7 | 72.5 | -178.1 | -93.3 | 48.6 | 0 | 0 | 0 | 112.8 | ||
| 273 | S | 37.3 | Very low | 39.2 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | trans | -177.6 | 85.1 | 148.2 | 42.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 274 | G | 32.2 | Very low | 38.1 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 81% | 0.814 | 75% | 0.752 | S | S | * | * | trans | -87.8 | 152 | 143.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 275 | S | 29.9 | Very low | 36.8 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | cis | -166.6 | 151.9 | 28.7 | 45.2 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 276 | S | 29.2 | Very low | 35.8 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | -177.5 | 138.4 | 54.1 | 46.7 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 277 | H | 29.8 | Very low | 35 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -106.6 | 169.6 | 160.7 | -121.7 | -29.3 | 0 | 0 | 0 | 107.5 | ||||
| 278 | P | 37.9 | Very low | 33.9 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | -148.4 | 178.9 | 50.2 | 37.1 | -13 | 0 | 0 | 0 | 117.8 | |||||
| 279 | Q | 31.2 | Very low | 33 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | trans | -97.1 | 152.5 | -169.9 | 173.3 | 179.5 | -1.8 | 0 | 0 | 112.1 | ||||
| 280 | Q | 25.8 | Very low | 32.3 | Very low | 187 Ų | 187 | 140 Ų | 140 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -155.6 | 140.6 | 154.5 | -158.3 | 141.1 | -20.7 | 0 | 0 | 114.5 | ||||
| 281 | K | 29.9 | Very low | 31 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | -79.3 | 151.1 | 171.5 | -74.1 | 171.2 | 167.5 | 175.4 | 0 | 111.3 | ||||
| 282 | D | 27.2 | Very low | 30.2 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | 170.9 | 139.6 | 120.8 | -86.7 | -22.5 | 0 | 0 | 0 | 115.4 | |||||
| 283 | S | 23.2 | Very low | 29.3 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | 33.6 | 124.7 | 143.6 | -136.6 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 284 | L | 31.6 | Very low | 28.9 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | trans | 35.8 | 119.4 | 134 | -58.1 | 174.1 | 0 | 0 | 0 | 122.4 | ||||
| 285 | T | 27.3 | Very low | 28.7 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -171.2 | 105.5 | 138 | -20.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 286 | L | 27.1 | Very low | 28.8 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | 49.1 | 105.2 | 87 | -136.8 | 169.2 | 0 | 0 | 0 | 116.4 | |||||
| 287 | M | 29 | Very low | 28.8 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | 176.2 | 114.6 | 133.6 | -93.6 | 157 | 168.9 | 0 | 0 | 108.2 | ||||
| 288 | N | 28 | Very low | 29.1 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | 53.8 | 135.8 | 73.4 | -127.3 | 48.9 | 0 | 0 | 0 | 111.2 | |||||
| 289 | E | 28.4 | Very low | 28.7 | Very low | 133 Ų | 133 | 140 Ų | 140 | 62% | 0.621 | 77% | 0.773 | S | S | * | * | cis | 179.5 | 158.3 | -0.1 | -119.3 | -91.4 | 104.4 | 0 | 0 | 103.5 | S291 | E289-S291 PolarHBondContact OE2-OG 2.85Š| ||
| 290 | L | 29.4 | Very low | 28.8 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | 150.6 | 85.2 | 148.6 | -85.5 | 148.8 | 0 | 0 | 0 | 108.7 | ||||
| 291 | S | 24.5 | Very low | 29.1 | Very low | 73 Ų | 73 | 135 Ų | 135 | 51% | 0.51 | 77% | 0.767 | S | S | . | * | 69.9 | 112.6 | 81.9 | -49 | 0 | 0 | 0 | 0 | 112.8 | E289 | E289-S291 PolarHBondContact OE2-OG 2.85Š| |||
| 292 | S | 27.7 | Very low | 30.2 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | -147.5 | 96.8 | 132.5 | 61 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 293 | E | 27.7 | Very low | 32 | Very low | 195 Ų | 195 | 122.9 Ų | 122.9 | 91% | 0.911 | 72% | 0.723 | S | S | * | * | trans | -64.4 | 135.3 | 161.6 | -77.6 | 167.4 | 106.1 | 0 | 0 | 109.7 | ||||
| 294 | A | 30 | Very low | 34.2 | Very low | 101 Ų | 101 | 118.9 Ų | 118.9 | 84% | 0.835 | 69% | 0.694 | S | S | * | * | trans | -136.9 | 139.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 295 | E | 27.5 | Very low | 36.2 | Very low | 193 Ų | 193 | 114.8 Ų | 114.8 | 90% | 0.902 | 67% | 0.671 | S | S | * | * | trans | -63.2 | 135.3 | -154.6 | -70.6 | 175.8 | 118 | 0 | 0 | 117.2 | ||||
| 296 | V | 31.9 | Very low | 38.5 | Very low | 134 Ų | 134 | 111.7 Ų | 111.7 | 81% | 0.812 | 65% | 0.647 | S | S | * | * | trans | 2.7 | 109.9 | 141.3 | -169.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 297 | A | 29.3 | Very low | 40.9 | Very low | 80 Ų | 80 | 106.1 Ų | 106.1 | 66% | 0.661 | 62% | 0.617 | S | S | * | * | trans | -116.4 | 138.4 | 135 | 0 | 0 | 0 | 0 | 0 | 107.2 | V299 | A297-V299 WeakPolarHBondContact O-CG2 3.49Å; A297-V299 PolarHBondContact O-N 3.19Å | ||
| 298 | V | 37.4 | Very low | 43.2 | Very low | 141 Ų | 141 | 99.1 Ų | 99.1 | 86% | 0.855 | 58% | 0.584 | S | S | * | * | trans | -64.3 | 98.1 | 179.1 | 176.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 299 | V | 29.4 | Very low | 45.6 | Very low | 92 Ų | 92 | 95.4 Ų | 95.4 | 56% | 0.558 | 57% | 0.569 | S | S | * | * | trans | -97.3 | 108 | 179.7 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | A297 | A297-V299 WeakPolarHBondContact O-CG2 3.49Å; A297-V299 PolarHBondContact O-N 3.19Å | ||
| 300 | T | 31.7 | Very low | 48.1 | Very low | 103 Ų | 103 | 95.7 Ų | 95.7 | 63% | 0.632 | 56% | 0.564 | S | S | * | * | trans | -58.4 | 133.1 | 159.5 | 24 | 0 | 0 | 0 | 0 | 109.7 | G302 | T300-G302 PolarHBondContact O-N 3.48Š| ||
| 301 | P | 33.1 | Very low | 50.5 | Low | 130 Ų | 130 | 89 Ų | 89 | 84% | 0.844 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 122.1 | -179.6 | 25.2 | -32 | 0 | 0 | 0 | 109.9 | ||
| 302 | G | 51.9 | Low | 53.2 | Low | 40 Ų | 40 | 89.8 Ų | 89.8 | 41% | 0.412 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 113.1 | 12.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | T300 | T300-G302 PolarHBondContact O-N 3.48Š|
| 303 | S | 65.1 | Low | 55.6 | Low | 30 Ų | 30 | 91.8 Ų | 91.8 | 21% | 0.21 | 52% | 0.523 | C | S | . | . | trans | -76.2 | 151.3 | -179 | -154.1 | 0 | 0 | 0 | 0 | 113.5 | E305 E306 | S303-E305 WeakPolarHBondContact CB-OE2 3.05Å; S303-E305 PolarHBondContact O-N 3.32Å; S303-E305 VanDerWaalsContact O-N 3.1Å; S303-E305 PolarHBondContact OG-OE2 3.43Å; S303-E306 PolarHBondContact O-N 2.86Å | ||
| 304 | V | 69.9 | Low | 57.8 | Low | 13 Ų | 13 | 85.9 Ų | 85.9 | 8% | 0.079 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -58 | -26.3 | -178.2 | -176.8 | 0 | 0 | 0 | 0 | 112.5 | L307 L308 Y341 D370 L373 | V304-L307 WeakPolarHBondContact O-CB 3.35Å; V304-L307 PolarHBondContact O-N 2.94Å; V304-L308 PolarHBondContact O-N 3.04Å; V304-Y341 HydrophobicContact CB-CE2 4.37Å; V304-Y341 HydrophobicContact CG1-CD2 4.15Å; V304-Y341 HydrophobicContact CG1-CE1 4.2Å; V304-Y341 HydrophobicContact CG1-CE2 3.48Å; V304-Y341 VanDerWaalsContact CG1-CE2 3.48Å; V304-Y341 VanDerWaalsContact CG1-CZ 3.49Å; V304-D370 HydrophobicContact CG2-CB 4.38Å; V304-L373 HydrophobicContact CB-CD2 4.46Å; V304-L373 HydrophobicContact CG1-CD2 3.61Å; V304-L373 HydrophobicContact CG2-CD2 4.05Å |
| 305 | E | 74.3 | Confident | 60.1 | Low | 70 Ų | 70 | 82.3 Ų | 82.3 | 33% | 0.327 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.7 | -37.6 | 176.7 | -66.6 | 68.5 | -145.8 | 0 | 0 | 112.6 | S303 L307 L308 S309 R339 Y341 | S303-E305 WeakPolarHBondContact CB-OE2 3.05Å; S303-E305 PolarHBondContact O-N 3.32Å; S303-E305 VanDerWaalsContact O-N 3.1Å; S303-E305 PolarHBondContact OG-OE2 3.43Å; E305-L307 VanDerWaalsContact C-N 3.32Å; E305-L307 PolarHBondContact O-N 2.73Å; E305-L308 WeakPolarHBondContact O-CB 3.34Å; E305-L308 PolarHBondContact O-N 2.84Å; E305-S309 PolarHBondContact O-N 2.98Å; E305-S309 VanDerWaalsContact O-N 3.07Å; E305-S309 PolarHBondContact O-OG 3.4Å; E305-S309 VanDerWaalsContact O-OG 3.08Å; E305-R339 IonicContact OE1-CZ 3.71Å; E305-R339 IonicContact OE1-NH1 3.59Å; E305-R339 PolarHBondContact OE1-NH1 2.82Å; E305-R339 IonicContact OE2-NH1 3.59Å; E305-R339 PolarHBondContact OE2-NH1 3.17Å; E305-Y341 PolarHBondContact OE1-OH 2.89Å |
| 306 | E | 75.9 | Confident | 62.5 | Low | 76 Ų | 76 | 75 Ų | 75 | 36% | 0.355 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 176.2 | -168.4 | -170.2 | 157.5 | 0 | 0 | 110.8 | S303 L308 S309 R310 | S303-E306 PolarHBondContact O-N 2.86Å; E306-L308 VanDerWaalsContact C-N 3.32Å; E306-L308 PolarHBondContact O-N 3.01Å; E306-S309 PolarHBondContact O-N 3.41Å; E306-R310 WeakPolarHBondContact O-CG 3.22Å; E306-R310 PolarHBondContact O-N 3.14Å; E306-R310 VanDerWaalsContact O-N 3.08Å; E306-R310 IonicContact OE1-CZ 2.7Å; E306-R310 IonicContact OE1-NE 3.47Å; E306-R310 IonicContact OE1-NH2 2.98Å; E306-R310 PolarHBondContact OE1-NH2 3.45Å |
| 307 | L | 76.8 | Confident | 64.7 | Low | 27 Ų | 27 | 74.4 Ų | 74.4 | 14% | 0.141 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 175.1 | -65 | 178.2 | 0 | 0 | 0 | 111 | V304 E305 R310 V311 V374 F377 | V304-L307 WeakPolarHBondContact O-CB 3.35Å; V304-L307 PolarHBondContact O-N 2.94Å; E305-L307 VanDerWaalsContact C-N 3.32Å; E305-L307 PolarHBondContact O-N 2.73Å; L307-R310 PolarHBondContact O-N 3.21Å; L307-V311 VanDerWaalsContact O-CG2 3.31Å; L307-V311 WeakPolarHBondContact O-CG2 3.27Å; L307-V311 PolarHBondContact O-N 2.96Å; L307-V374 HydrophobicContact CD1-CG2 4.04Å; L307-F377 HydrophobicContact CB-CD1 4.45Å; L307-F377 HydrophobicContact CD1-CB 4.03Å; L307-F377 HydrophobicContact CD1-CD2 4.34Å; L307-F377 HydrophobicContact CD1-CG 4.05Å; L307-F377 HydrophobicContact CD2-CB 3.94Å; L307-F377 HydrophobicContact CD2-CD1 4.23Å; L307-F377 HydrophobicContact CD2-CG 4.26Å |
| 308 | L | 78.3 | Confident | 67.1 | Low | 30 Ų | 30 | 75 Ų | 75 | 16% | 0.157 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 176.8 | -170 | 118.6 | 0 | 0 | 0 | 111.9 | V304 E305 E306 R310 V311 Q312 Y341 | V304-L308 PolarHBondContact O-N 3.04Å; E305-L308 WeakPolarHBondContact O-CB 3.34Å; E305-L308 PolarHBondContact O-N 2.84Å; E306-L308 VanDerWaalsContact C-N 3.32Å; E306-L308 PolarHBondContact O-N 3.01Å; L308-R310 VanDerWaalsContact C-N 3.31Å; L308-R310 PolarHBondContact O-N 3.38Å; L308-V311 PolarHBondContact O-N 2.61Å; L308-Q312 WeakPolarHBondContact O-CG 3.38Å; L308-Q312 PolarHBondContact O-N 2.91Å; L308-Y341 HydrophobicContact CD1-CD1 3.61Å; L308-Y341 HydrophobicContact CD1-CE1 4.32Å; L308-Y341 HydrophobicContact CD1-CG 4.33Å |
| 309 | S | 78.3 | Confident | 68.9 | Low | 63 Ų | 63 | 68.8 Ų | 68.8 | 44% | 0.441 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 175.2 | -49.7 | 0 | 0 | 0 | 0 | 112 | E305 E306 Q312 M313 | E305-S309 PolarHBondContact O-N 2.98Å; E305-S309 VanDerWaalsContact O-N 3.07Å; E305-S309 PolarHBondContact O-OG 3.4Å; E305-S309 VanDerWaalsContact O-OG 3.08Å; E306-S309 PolarHBondContact O-N 3.41Å; S309-Q312 PolarHBondContact O-N 2.83Å; S309-M313 WeakPolarHBondContact O-CG 3.36Å; S309-M313 PolarHBondContact O-N 3.22Å; S309-M313 VanDerWaalsContact O-N 3.14Å |
| 310 | R | 79.3 | Confident | 71.3 | Confident | 138 Ų | 138 | 64.9 Ų | 64.9 | 52% | 0.521 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 175.7 | -69.5 | -178.3 | -171.5 | -155.1 | 4.4 | 112.4 | E306 L307 L308 M313 L314 L411 | E306-R310 WeakPolarHBondContact O-CG 3.22Å; E306-R310 PolarHBondContact O-N 3.14Å; E306-R310 VanDerWaalsContact O-N 3.08Å; E306-R310 IonicContact OE1-CZ 2.7Å; E306-R310 IonicContact OE1-NE 3.47Å; E306-R310 IonicContact OE1-NH2 2.98Å; E306-R310 PolarHBondContact OE1-NH2 3.45Å; L307-R310 PolarHBondContact O-N 3.21Å; L308-R310 VanDerWaalsContact C-N 3.31Å; L308-R310 PolarHBondContact O-N 3.38Å; R310-M313 PolarHBondContact O-N 3.12Å; R310-L314 WeakPolarHBondContact O-CG 3.39Å; R310-L314 PolarHBondContact O-N 3.31Å; R310-L411 HydrophobicContact CB-CD2 4.18Å |
| 311 | V | 81.4 | Confident | 73.5 | Confident | 19 Ų | 19 | 66 Ų | 66 | 12% | 0.115 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 174.6 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | L307 L308 M313 L314 L315 L343 A353 F377 L411 | L307-V311 VanDerWaalsContact O-CG2 3.31Å; L307-V311 WeakPolarHBondContact O-CG2 3.27Å; L307-V311 PolarHBondContact O-N 2.96Å; L308-V311 PolarHBondContact O-N 2.61Å; V311-M313 VanDerWaalsContact C-N 3.26Å; V311-M313 PolarHBondContact O-N 3.12Å; V311-L314 PolarHBondContact O-N 3.35Å; V311-L315 WeakPolarHBondContact O-CG 3.43Å; V311-L315 PolarHBondContact O-N 3.13Å; V311-L343 HydrophobicContact CG1-CD1 4.02Å; V311-A353 HydrophobicContact CG1-CB 4.12Å; V311-F377 HydrophobicContact CG2-CE1 3.53Å; V311-F377 HydrophobicContact CG2-CZ 4.17Å; V311-L411 HydrophobicContact CG2-CD1 4.06Å; V311-L411 HydrophobicContact CG2-CD2 4.16Å |
| 312 | Q | 80.3 | Confident | 75.6 | Confident | 89 Ų | 89 | 64.9 Ų | 64.9 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.6 | -37.5 | 178.2 | -75.7 | 176.7 | -11.5 | 0 | 0 | 112.8 | L308 S309 L314 L315 A353 | L308-Q312 WeakPolarHBondContact O-CG 3.38Å; L308-Q312 PolarHBondContact O-N 2.91Å; S309-Q312 PolarHBondContact O-N 2.83Å; Q312-L314 VanDerWaalsContact C-N 3.27Å; Q312-L314 PolarHBondContact O-N 3.3Å; Q312-L315 WeakPolarHBondContact O-CB 3.37Å; Q312-A353 HydrophobicContact CG-CB 4.03Å; Q312-A353 PolarHBondContact NE2-O 3.21Å |
| 313 | M | 77.8 | Confident | 76.8 | Confident | 163 Ų | 163 | 63 Ų | 63 | 80% | 0.803 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -70.6 | -19 | 177.6 | -71.3 | -65.9 | -65.6 | 0 | 0 | 114.2 | S309 R310 V311 | S309-M313 WeakPolarHBondContact O-CG 3.36Å; S309-M313 PolarHBondContact O-N 3.22Å; S309-M313 VanDerWaalsContact O-N 3.14Å; R310-M313 PolarHBondContact O-N 3.12Å; V311-M313 VanDerWaalsContact C-N 3.26Å; V311-M313 PolarHBondContact O-N 3.12Å |
| 314 | L | 73.9 | Confident | 77.6 | Confident | 72 Ų | 72 | 70.2 Ų | 70.2 | 38% | 0.377 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -104.9 | -0.5 | -177.2 | -65.3 | 178.4 | 0 | 0 | 0 | 113.7 | R310 V311 Q312 S316 L411 | R310-L314 WeakPolarHBondContact O-CG 3.39Å; R310-L314 PolarHBondContact O-N 3.31Å; V311-L314 PolarHBondContact O-N 3.35Å; Q312-L314 VanDerWaalsContact C-N 3.27Å; Q312-L314 PolarHBondContact O-N 3.3Å; L314-S316 PolarHBondContact O-N 2.96Å; L314-L411 HydrophobicContact CD1-CB 4.2Å; L314-L411 HydrophobicContact CD1-CD2 3.38Å; L314-L411 HydrophobicContact CD1-CG 3.66Å |
| 315 | L | 79.3 | Confident | 78.2 | Confident | 25 Ų | 25 | 69.7 Ų | 69.7 | 13% | 0.131 | 34% | 0.338 | C | S | . | . | trans | -59.3 | 117.6 | 172.6 | -75.6 | -178.3 | 0 | 0 | 0 | 109.8 | V311 Q312 L343 L345 S350 A353 | V311-L315 WeakPolarHBondContact O-CG 3.43Å; V311-L315 PolarHBondContact O-N 3.13Å; Q312-L315 WeakPolarHBondContact O-CB 3.37Å; L315-L343 HydrophobicContact CD2-CD1 3.9Å; L315-L345 HydrophobicContact CD2-CD2 3.74Å; L315-S350 CarbonylContact C-O 3.32Å; L315-S350 VanDerWaalsContact C-O 3.32Å; L315-S350 WeakPolarHBondContact CA-O 3.35Å; L315-S350 WeakPolarHBondContact CB-O 3.5Å; L315-A353 HydrophobicContact CD1-CB 4.12Å | ||
| 316 | S | 77.5 | Confident | 78.7 | Confident | 40 Ų | 40 | 66.8 Ų | 66.8 | 28% | 0.28 | 33% | 0.326 | S | S | . | . | trans | -144.7 | 154.6 | -178.1 | 68.9 | 0 | 0 | 0 | 0 | 111.3 | L314 T318 L319 V320 S350 | L314-S316 PolarHBondContact O-N 2.96Å; S316-T318 PolarHBondContact O-N 3.4Å; S316-T318 VanDerWaalsContact O-N 3.14Å; S316-T318 PolarHBondContact OG-OG1 3.12Å; S316-L319 WeakPolarHBondContact O-CB 3.37Å; S316-L319 PolarHBondContact O-N 3.23Å; S316-V320 PolarHBondContact O-N 3.34Å; S316-S350 PolarHBondContact N-O 3.39Å | ||
| 317 | E | 79.1 | Confident | 79.2 | Confident | 122 Ų | 122 | 63.1 Ų | 63.1 | 57% | 0.57 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58 | -30.3 | 178.3 | -63.2 | -173.4 | 168.9 | 0 | 0 | 112.6 | L319 V320 Q321 | E317-L319 VanDerWaalsContact C-N 3.35Å; E317-L319 PolarHBondContact O-N 3.25Å; E317-V320 PolarHBondContact O-N 3.1Å; E317-Q321 WeakPolarHBondContact O-CG 3.31Å; E317-Q321 PolarHBondContact O-N 3.39Å |
| 318 | T | 78.3 | Confident | 79.8 | Confident | 93 Ų | 93 | 62.4 Ų | 62.4 | 57% | 0.571 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.3 | -38.9 | 177.5 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | S316 Q321 Q322 | S316-T318 PolarHBondContact O-N 3.4Å; S316-T318 VanDerWaalsContact O-N 3.14Å; S316-T318 PolarHBondContact OG-OG1 3.12Å; T318-Q321 PolarHBondContact O-N 3.16Å; T318-Q322 WeakPolarHBondContact O-CG 3.39Å; T318-Q322 PolarHBondContact O-N 3.14Å |
| 319 | L | 75.4 | Confident | 80.3 | Confident | 9 Ų | 9 | 61.7 Ų | 61.7 | 5% | 0.047 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.2 | -40.6 | 179.9 | -165.3 | 68.4 | 0 | 0 | 0 | 111 | S316 E317 Q321 Q322 V323 L345 L407 Q410 | S316-L319 WeakPolarHBondContact O-CB 3.37Å; S316-L319 PolarHBondContact O-N 3.23Å; E317-L319 VanDerWaalsContact C-N 3.35Å; E317-L319 PolarHBondContact O-N 3.25Å; L319-Q321 PolarHBondContact O-N 2.92Å; L319-Q322 PolarHBondContact O-N 3.42Å; L319-V323 WeakPolarHBondContact O-CG2 3.39Å; L319-V323 PolarHBondContact O-N 3.08Å; L319-L345 HydrophobicContact CD2-CD2 4.43Å; L319-L407 HydrophobicContact CD1-CD2 3.62Å; L319-L407 HydrophobicContact CD1-CG 4.3Å; L319-L407 HydrophobicContact CD2-CD2 3.23Å; L319-L407 HydrophobicContact CG-CD2 3.52Å; L319-Q410 HydrophobicContact CD1-CG 4.19Å |
| 320 | V | 80.3 | Confident | 80.8 | Confident | 11 Ų | 11 | 61 Ų | 61 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60 | -44.4 | 173.3 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | S316 E317 Q322 R324 L345 Q347 G349 | S316-V320 PolarHBondContact O-N 3.34Å; E317-V320 PolarHBondContact O-N 3.1Å; V320-Q322 VanDerWaalsContact C-N 3.32Å; V320-Q322 PolarHBondContact O-N 3.25Å; V320-R324 WeakPolarHBondContact O-CG 3.46Å; V320-R324 PolarHBondContact O-N 2.93Å; V320-L345 HydrophobicContact CG2-CB 4.37Å; V320-L345 HydrophobicContact CG2-CD2 3.89Å; V320-Q347 VanDerWaalsContact CG1-O 3.23Å; V320-Q347 WeakPolarHBondContact CG1-O 3.49Å; V320-G349 WeakPolarHBondContact CG2-O 3.37Å |
| 321 | Q | 78.4 | Confident | 81.3 | Confident | 126 Ų | 126 | 54.5 Ų | 54.5 | 59% | 0.589 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.7 | -33.3 | 178.2 | -74 | 179.9 | 13.1 | 0 | 0 | 113.7 | E317 T318 L319 | E317-Q321 WeakPolarHBondContact O-CG 3.31Å; E317-Q321 PolarHBondContact O-N 3.39Å; T318-Q321 PolarHBondContact O-N 3.16Å; L319-Q321 PolarHBondContact O-N 2.92Å |
| 322 | Q | 75.4 | Confident | 81.5 | Confident | 106 Ų | 106 | 56 Ų | 56 | 50% | 0.495 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -79 | -43.6 | -179.3 | -74.1 | -178.8 | -18.8 | 0 | 0 | 112.7 | T318 L319 V320 | T318-Q322 WeakPolarHBondContact O-CG 3.39Å; T318-Q322 PolarHBondContact O-N 3.14Å; L319-Q322 PolarHBondContact O-N 3.42Å; V320-Q322 VanDerWaalsContact C-N 3.32Å; V320-Q322 PolarHBondContact O-N 3.25Å |
| 323 | V | 78.6 | Confident | 81.6 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -88.4 | -48.6 | -171.3 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | L319 A325 F327 L345 K403 L407 | L319-V323 WeakPolarHBondContact O-CG2 3.39Å; L319-V323 PolarHBondContact O-N 3.08Å; V323-A325 VanDerWaalsContact C-N 3.33Å; V323-A325 HydrophobicContact CG1-CB 4.26Å; V323-A325 PolarHBondContact O-N 3.4Å; V323-F327 HydrophobicContact CG1-CE2 3.45Å; V323-F327 VanDerWaalsContact CG1-CE2 3.45Å; V323-F327 HydrophobicContact CG1-CZ 3.7Å; V323-L345 HydrophobicContact CB-CD1 3.86Å; V323-L345 HydrophobicContact CG1-CD1 3.91Å; V323-L345 HydrophobicContact CG2-CD1 4.15Å; V323-K403 HydrophobicContact CG1-CB 4.09Å; V323-K403 HydrophobicContact CG1-CD 4.33Å; V323-K403 WeakPolarHBondContact O-CD 3.32Å; V323-K403 PolarHBondContact O-NZ 3.34Å; V323-L407 HydrophobicContact CG2-CG 4.27Å |
| 324 | R | 81.3 | Confident | 81.4 | Confident | 181 Ų | 181 | 49.5 Ų | 49.5 | 68% | 0.683 | 26% | 0.262 | S | S | * | . | trans | 43.4 | 51.6 | -179.3 | -66 | -172.1 | 176 | 165.9 | 0.7 | 113.9 | V320 L345 | V320-R324 WeakPolarHBondContact O-CG 3.46Å; V320-R324 PolarHBondContact O-N 2.93Å; R324-L345 WeakPolarHBondContact CA-O 3.26Å | ||
| 325 | A | 82.8 | Confident | 81.3 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | trans | -151.8 | 156.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V323 F327 L345 T400 | V323-A325 VanDerWaalsContact C-N 3.33Å; V323-A325 HydrophobicContact CG1-CB 4.26Å; V323-A325 PolarHBondContact O-N 3.4Å; A325-F327 HydrophobicContact CB-CE2 3.82Å; A325-F327 HydrophobicContact CB-CZ 3.95Å; A325-L345 WeakPolarHBondContact O-CB 3.21Å; A325-L345 PolarHBondContact O-N 3.07Å; A325-L345 VanDerWaalsContact O-N 3.16Å; A325-T400 HydrophobicContact CB-CG2 3.3Å | ||
| 326 | C | 84.6 | Confident | 80.7 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126.4 | 174.7 | -164.7 | 0 | 0 | 0 | 0 | 110.9 | T346 L358 D363 V364 | C326-T346 HydrophobicContact CB-CG2 3.94Å; C326-L358 WeakPolarHBondContact SG-CD1 3.39Å; C326-D363 PolarHBondContact N-OD2 2.79Å; C326-D363 PolarHBondContact O-N 3.18Å; C326-V364 PolarHBondContact O-N 3.21Å |
| 327 | F | 87.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 135.6 | -178.8 | -57.4 | -94.5 | 0 | 0 | 0 | 111 | V323 A325 F329 Y342 L343 V364 L366 T400 L407 | V323-F327 HydrophobicContact CG1-CE2 3.45Å; V323-F327 VanDerWaalsContact CG1-CE2 3.45Å; V323-F327 HydrophobicContact CG1-CZ 3.7Å; A325-F327 HydrophobicContact CB-CE2 3.82Å; A325-F327 HydrophobicContact CB-CZ 3.95Å; F327-F329 HydrophobicContact CB-CD2 4.46Å; F327-F329 HydrophobicContact CB-CE2 3.75Å; F327-F329 HydrophobicContact CB-CZ 4.11Å; F327-Y342 WeakPolarHBondContact O-CA 3.35Å; F327-L343 HydrophobicContact CB-CB 4.33Å; F327-L343 HydrophobicContact CD2-CD2 4.33Å; F327-L343 PolarHBondContact N-O 3.29Å; F327-L343 PolarHBondContact O-N 3.4Å; F327-V364 WeakPolarHBondContact CA-O 3.37Å; F327-V364 HydrophobicContact CD1-CB 4.14Å; F327-V364 HydrophobicContact CD1-CG1 4.49Å; F327-V364 HydrophobicContact CE1-CB 4.47Å; F327-L366 HydrophobicContact CD1-CD1 4.14Å; F327-T400 HydrophobicContact CE1-CG2 4.46Å; F327-T400 WeakPolarHBondContact CE1-O 3.38Å; F327-T400 HydrophobicContact CZ-CG2 4.32Å; F327-L407 HydrophobicContact CE2-CD1 4.47Å |
| 328 | Q | 88.9 | Confident | 80.6 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 6% | 0.056 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.1 | 166.1 | -174.3 | 69.5 | 48.5 | 0 | 0 | 108.9 | Y341 G356 L358 P362 V364 T365 L366 | Q328-Y341 PolarHBondContact NE2-O 3.35Å; Q328-G356 PolarHBondContact NE2-O 3.49Å; Q328-L358 HydrophobicContact CB-CD1 4.35Å; Q328-P362 HydrophobicContact CB-CB 3.81Å; Q328-P362 HydrophobicContact CB-CG 3.99Å; Q328-V364 PolarHBondContact N-O 3.32Å; Q328-T365 HydrophobicContact CB-CG2 4.28Å; Q328-T365 HydrophobicContact CG-CG2 4.31Å; Q328-T365 CarbonylContact O-C 3.57Å; Q328-T365 WeakPolarHBondContact O-CA 3.45Å; Q328-L366 PolarHBondContact O-N 3.1Å |
| 329 | F | 88.8 | Confident | 80.8 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 7% | 0.066 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.3 | 175.6 | -61.7 | -93 | 0 | 0 | 0 | 109.7 | F327 I331 Q340 Y341 L343 L366 L404 | F327-F329 HydrophobicContact CB-CD2 4.46Å; F327-F329 HydrophobicContact CB-CE2 3.75Å; F327-F329 HydrophobicContact CB-CZ 4.11Å; F329-I331 HydrophobicContact CB-CD1 4.18Å; F329-I331 HydrophobicContact CB-CG1 4.37Å; F329-Q340 VanDerWaalsContact O-CA 3.31Å; F329-Q340 WeakPolarHBondContact O-CA 3.33Å; F329-Y341 PolarHBondContact N-O 3.31Å; F329-Y341 PolarHBondContact O-N 2.86Å; F329-L343 HydrophobicContact CE2-CB 4.02Å; F329-L366 CarbonylContact C-O 3.54Å; F329-L366 WeakPolarHBondContact CA-O 3.31Å; F329-L366 HydrophobicContact CD1-CB 4.02Å; F329-L366 HydrophobicContact CD1-CD1 4.04Å; F329-L366 HydrophobicContact CE1-CB 4.34Å; F329-L366 HydrophobicContact CE1-CD1 3.5Å; F329-L366 HydrophobicContact CE1-CG 4.5Å; F329-L366 HydrophobicContact CZ-CD1 4.04Å; F329-L404 HydrophobicContact CE1-CD1 4.27Å; F329-L404 HydrophobicContact CE1-CD2 3.86Å; F329-L404 HydrophobicContact CZ-CD1 3.82Å; F329-L404 HydrophobicContact CZ-CD2 4.23Å |
| 330 | E | 88.8 | Confident | 81.3 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 23% | 0.229 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 101 | 173.9 | -67.8 | -179.7 | 164.9 | 0 | 0 | 108.8 | Q340 T365 L366 S367 M368 | E330-Q340 HydrophobicContact CG-CG 4.39Å; E330-T365 HydrophobicContact CG-CG2 3.98Å; E330-L366 PolarHBondContact N-O 3.03Å; E330-S367 VanDerWaalsContact O-CA 3.27Å; E330-S367 WeakPolarHBondContact O-CA 3.25Å; E330-S367 PolarHBondContact OE2-OG 3.11Å; E330-M368 PolarHBondContact O-N 2.54Å; E330-M368 VanDerWaalsContact O-N 3.11Å |
| 331 | I | 89.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 124.9 | -172.7 | -51.3 | -57.2 | 0 | 0 | 0 | 109.2 | F329 Q338 R339 Y341 M368 D370 L373 | F329-I331 HydrophobicContact CB-CD1 4.18Å; F329-I331 HydrophobicContact CB-CG1 4.37Å; I331-Q338 CarbonylContact O-C 3.58Å; I331-Q338 WeakPolarHBondContact O-CA 3.46Å; I331-R339 PolarHBondContact N-O 3.1Å; I331-R339 PolarHBondContact O-N 2.94Å; I331-Y341 HydrophobicContact CB-CE2 4.38Å; I331-Y341 HydrophobicContact CG1-CD2 3.94Å; I331-Y341 HydrophobicContact CG1-CE2 4.07Å; I331-M368 WeakPolarHBondContact CA-O 3.48Å; I331-M368 HydrophobicContact CD1-CG 3.6Å; I331-D370 HydrophobicContact CG2-CB 3.94Å; I331-L373 HydrophobicContact CD1-CB 4.4Å; I331-L373 HydrophobicContact CD1-CD1 3.97Å; I331-L373 HydrophobicContact CD1-CD2 3.82Å; I331-L373 HydrophobicContact CD1-CG 4.29Å; I331-L373 HydrophobicContact CG1-CD2 3.95Å; I331-L373 HydrophobicContact CG2-CD2 4.45Å |
| 332 | S | 85.6 | Confident | 82 | Confident | 50 Ų | 50 | 59.2 Ų | 59.2 | 35% | 0.35 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 113.4 | 175.4 | -55.2 | 0 | 0 | 0 | 0 | 109.2 | M368 S369 D370 | S332-M368 PolarHBondContact N-O 3.12Å; S332-S369 WeakPolarHBondContact O-CA 3.38Å; S332-D370 PolarHBondContact O-N 3.22Å |
| 333 | T | 82.9 | Confident | 82.5 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | trans | -81.9 | 154.1 | 176.5 | -58.1 | 0 | 0 | 0 | 0 | 110.2 | D335 G336 Q337 | T333-D335 HydrophobicContact CG2-CB 4.4Å; T333-D335 PolarHBondContact O-N 3.44Å; T333-G336 PolarHBondContact O-N 3.29Å; T333-Q337 PolarHBondContact N-O 3.02Å | ||
| 334 | A | 72.2 | Confident | 82.7 | Confident | 94 Ų | 94 | 55.5 Ų | 55.5 | 78% | 0.777 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -26.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | G336 | A334-G336 PolarHBondContact O-N 2.76Š|
| 335 | D | 71.9 | Confident | 82.7 | Confident | 135 Ų | 135 | 46.9 Ų | 46.9 | 72% | 0.722 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 3.9 | 175.6 | -60.8 | -40.5 | 0 | 0 | 0 | 114.2 | T333 Q337 | T333-D335 HydrophobicContact CG2-CB 4.4Å; T333-D335 PolarHBondContact O-N 3.44Å; D335-Q337 PolarHBondContact O-N 2.78Å |
| 336 | G | 68.3 | Low | 82.2 | Confident | 67 Ų | 67 | 49.3 Ų | 49.3 | 69% | 0.691 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 77.2 | 0.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | T333 A334 | T333-G336 PolarHBondContact O-N 3.29Å; A334-G336 PolarHBondContact O-N 2.76Å |
| 337 | Q | 75.2 | Confident | 81.3 | Confident | 118 Ų | 118 | 55 Ų | 55 | 55% | 0.551 | 30% | 0.3 | S | S | * | . | trans | -77.7 | 134.2 | 173.4 | -65.3 | -171.5 | -5.7 | 0 | 0 | 110.7 | T333 D335 | T333-Q337 PolarHBondContact N-O 3.02Å; D335-Q337 PolarHBondContact O-N 2.78Å | ||
| 338 | Q | 78.7 | Confident | 79.7 | Confident | 134 Ų | 134 | 60.4 Ų | 60.4 | 63% | 0.626 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.5 | 170.9 | -72.5 | -171.2 | -23.4 | 0 | 0 | 109.9 | I331 | I331-Q338 CarbonylContact O-C 3.58Å; I331-Q338 WeakPolarHBondContact O-CA 3.46Å |
| 339 | R | 82.7 | Confident | 78.5 | Confident | 85 Ų | 85 | 61.1 Ų | 61.1 | 32% | 0.321 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134.7 | 174 | -64 | -170.7 | -178.9 | 173.7 | 6.5 | 109.7 | E305 I331 Y341 | E305-R339 IonicContact OE1-CZ 3.71Å; E305-R339 IonicContact OE1-NH1 3.59Å; E305-R339 PolarHBondContact OE1-NH1 2.82Å; E305-R339 IonicContact OE2-NH1 3.59Å; E305-R339 PolarHBondContact OE2-NH1 3.17Å; I331-R339 PolarHBondContact N-O 3.1Å; I331-R339 PolarHBondContact O-N 2.94Å; R339-Y341 HydrophobicContact CB-CD2 4.46Å; R339-Y341 HydrophobicContact CB-CE2 3.58Å; R339-Y341 VanDerWaalsContact CD-OH 3.24Å; R339-Y341 WeakPolarHBondContact CD-OH 3.35Å |
| 340 | Q | 86.5 | Confident | 77.2 | Confident | 81 Ų | 81 | 63.4 Ų | 63.4 | 38% | 0.379 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.7 | 179 | -72.2 | -177.3 | -10.2 | 0 | 0 | 109.6 | F329 E330 G356 | F329-Q340 VanDerWaalsContact O-CA 3.31Å; F329-Q340 WeakPolarHBondContact O-CA 3.33Å; E330-Q340 HydrophobicContact CG-CG 4.39Å; Q340-G356 CarbonylContact C-O 3.52Å; Q340-G356 PolarHBondContact O-N 3.26Å |
| 341 | Y | 86.4 | Confident | 76.6 | Confident | 15 Ų | 15 | 62.4 Ų | 62.4 | 6% | 0.059 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 151.4 | 175.5 | -54.9 | -85.8 | 0 | 0 | 0 | 109.8 | V304 E305 L308 Q328 F329 I331 R339 G354 | V304-Y341 HydrophobicContact CB-CE2 4.37Å; V304-Y341 HydrophobicContact CG1-CD2 4.15Å; V304-Y341 HydrophobicContact CG1-CE1 4.2Å; V304-Y341 HydrophobicContact CG1-CE2 3.48Å; V304-Y341 VanDerWaalsContact CG1-CE2 3.48Å; V304-Y341 VanDerWaalsContact CG1-CZ 3.49Å; E305-Y341 PolarHBondContact OE1-OH 2.89Å; L308-Y341 HydrophobicContact CD1-CD1 3.61Å; L308-Y341 HydrophobicContact CD1-CE1 4.32Å; L308-Y341 HydrophobicContact CD1-CG 4.33Å; Q328-Y341 PolarHBondContact NE2-O 3.35Å; F329-Y341 PolarHBondContact N-O 3.31Å; F329-Y341 PolarHBondContact O-N 2.86Å; I331-Y341 HydrophobicContact CB-CE2 4.38Å; I331-Y341 HydrophobicContact CG1-CD2 3.94Å; I331-Y341 HydrophobicContact CG1-CE2 4.07Å; R339-Y341 HydrophobicContact CB-CD2 4.46Å; R339-Y341 HydrophobicContact CB-CE2 3.58Å; R339-Y341 VanDerWaalsContact CD-OH 3.24Å; R339-Y341 WeakPolarHBondContact CD-OH 3.35Å; Y341-G354 WeakPolarHBondContact CA-O 3.5Å |
| 342 | Y | 86.8 | Confident | 76.1 | Confident | 67 Ų | 67 | 64.4 Ų | 64.4 | 26% | 0.263 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 153.3 | 178.2 | 72.1 | -92.6 | 0 | 0 | 0 | 112.6 | F327 A353 G354 L358 | F327-Y342 WeakPolarHBondContact O-CA 3.35Å; Y342-A353 WeakPolarHBondContact O-CA 3.23Å; Y342-G354 VanDerWaalsContact CD1-O 3.29Å; Y342-G354 WeakPolarHBondContact CD1-O 3.46Å; Y342-G354 PolarHBondContact N-O 2.95Å; Y342-G354 PolarHBondContact O-N 2.95Å; Y342-G354 VanDerWaalsContact O-N 3.13Å; Y342-L358 VanDerWaalsContact CB-CG 3.44Å; Y342-L358 HydrophobicContact CD2-CD2 3.54Å; Y342-L358 HydrophobicContact CD2-CG 4.31Å; Y342-L358 HydrophobicContact CE2-CD2 4.38Å; Y342-L358 HydrophobicContact CG-CD2 3.71Å; Y342-L358 HydrophobicContact CG-CG 3.96Å |
| 343 | L | 85.6 | Confident | 75.9 | Confident | 9 Ų | 9 | 62.6 Ų | 62.6 | 5% | 0.047 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 104.8 | 174.5 | 178.1 | 64.6 | 0 | 0 | 0 | 109 | V311 L315 F327 F329 L345 A353 L407 | V311-L343 HydrophobicContact CG1-CD1 4.02Å; L315-L343 HydrophobicContact CD2-CD1 3.9Å; F327-L343 HydrophobicContact CB-CB 4.33Å; F327-L343 HydrophobicContact CD2-CD2 4.33Å; F327-L343 PolarHBondContact N-O 3.29Å; F327-L343 PolarHBondContact O-N 3.4Å; F329-L343 HydrophobicContact CE2-CB 4.02Å; L343-L345 HydrophobicContact CD1-CD1 4.48Å; L343-L345 HydrophobicContact CD1-CD2 4.18Å; L343-L345 HydrophobicContact CD1-CG 4.19Å; L343-L345 HydrophobicContact CD2-CD1 4.05Å; L343-L345 HydrophobicContact CG-CD1 4.12Å; L343-L345 HydrophobicContact CG-CG 4.04Å; L343-A353 HydrophobicContact CD1-CB 3.8Å; L343-L407 HydrophobicContact CD2-CD1 3.53Å; L343-L407 HydrophobicContact CD2-CD2 4.3Å |
| 344 | D | 83.2 | Confident | 75.7 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 10% | 0.102 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 111.8 | 176.5 | -175.2 | 2.7 | 0 | 0 | 0 | 110.1 | T346 Q347 G351 A352 | D344-T346 WeakPolarHBondContact OD1-CB 3.26Å; D344-T346 WeakPolarHBondContact OD1-CG2 3.44Å; D344-T346 PolarHBondContact OD1-N 3.46Å; D344-T346 PolarHBondContact OD1-OG1 2.89Å; D344-Q347 PolarHBondContact OD2-NE2 3.3Å; D344-G351 CarbonylContact O-C 3.6Å; D344-G351 WeakPolarHBondContact O-CA 3.08Å; D344-A352 PolarHBondContact N-O 2.88Å; D344-A352 PolarHBondContact O-N 3.42Å |
| 345 | L | 79.9 | Confident | 76.1 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -116.6 | 30.3 | 174.5 | -59.1 | 171.1 | 0 | 0 | 0 | 111.3 | L315 L319 V320 V323 R324 A325 L343 L407 | L315-L345 HydrophobicContact CD2-CD2 3.74Å; L319-L345 HydrophobicContact CD2-CD2 4.43Å; V320-L345 HydrophobicContact CG2-CB 4.37Å; V320-L345 HydrophobicContact CG2-CD2 3.89Å; V323-L345 HydrophobicContact CB-CD1 3.86Å; V323-L345 HydrophobicContact CG1-CD1 3.91Å; V323-L345 HydrophobicContact CG2-CD1 4.15Å; R324-L345 WeakPolarHBondContact CA-O 3.26Å; A325-L345 WeakPolarHBondContact O-CB 3.21Å; A325-L345 PolarHBondContact O-N 3.07Å; A325-L345 VanDerWaalsContact O-N 3.16Å; L343-L345 HydrophobicContact CD1-CD1 4.48Å; L343-L345 HydrophobicContact CD1-CD2 4.18Å; L343-L345 HydrophobicContact CD1-CG 4.19Å; L343-L345 HydrophobicContact CD2-CD1 4.05Å; L343-L345 HydrophobicContact CG-CD1 4.12Å; L343-L345 HydrophobicContact CG-CG 4.04Å; L345-L407 HydrophobicContact CD1-CD1 3.84Å; L345-L407 HydrophobicContact CD1-CD2 3.79Å; L345-L407 HydrophobicContact CD1-CG 4.3Å | ||
| 346 | T | 73.4 | Confident | 76.1 | Confident | 54 Ų | 54 | 56.7 Ų | 56.7 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | trans | -99 | -26.8 | -177 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | C326 D344 | C326-T346 HydrophobicContact CB-CG2 3.94Å; D344-T346 WeakPolarHBondContact OD1-CB 3.26Å; D344-T346 WeakPolarHBondContact OD1-CG2 3.44Å; D344-T346 PolarHBondContact OD1-N 3.46Å; D344-T346 PolarHBondContact OD1-OG1 2.89Å | ||
| 347 | Q | 64.3 | Low | 75.8 | Confident | 127 Ų | 127 | 57.4 Ų | 57.4 | 59% | 0.593 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -85.4 | 149.7 | -173.8 | -58.6 | -177.9 | 31.5 | 0 | 0 | 112.5 | V320 D344 G349 | V320-Q347 VanDerWaalsContact CG1-O 3.23Å; V320-Q347 WeakPolarHBondContact CG1-O 3.49Å; D344-Q347 PolarHBondContact OD2-NE2 3.3Å; Q347-G349 PolarHBondContact O-N 3.05Å |
| 348 | A | 54.7 | Low | 75 | Confident | 115 Ų | 115 | 53.3 Ų | 53.3 | 95% | 0.95 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -68.5 | 102.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 349 | G | 63.6 | Low | 73.6 | Confident | 26 Ų | 26 | 54 Ų | 54 | 27% | 0.268 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 161.6 | -160.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V320 Q347 G351 | V320-G349 WeakPolarHBondContact CG2-O 3.37Å; Q347-G349 PolarHBondContact O-N 3.05Å; G349-G351 VanDerWaalsContact C-N 3.26Å; G349-G351 PolarHBondContact O-N 3.26Å |
| 350 | S | 61.7 | Low | 72.6 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -74.8 | -10.7 | 179.2 | -60.1 | 0 | 0 | 0 | 0 | 114.4 | L315 S316 | L315-S350 CarbonylContact C-O 3.32Å; L315-S350 VanDerWaalsContact C-O 3.32Å; L315-S350 WeakPolarHBondContact CA-O 3.35Å; L315-S350 WeakPolarHBondContact CB-O 3.5Å; S316-S350 PolarHBondContact N-O 3.39Å |
| 351 | G | 75.1 | Confident | 71.7 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 28% | 0.278 | 39% | 0.386 | S | S | . | . | trans | 87.4 | 172 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D344 G349 | D344-G351 CarbonylContact O-C 3.6Å; D344-G351 WeakPolarHBondContact O-CA 3.08Å; G349-G351 VanDerWaalsContact C-N 3.26Å; G349-G351 PolarHBondContact O-N 3.26Å | ||
| 352 | A | 79.4 | Confident | 71.3 | Confident | 43 Ų | 43 | 65.3 Ų | 65.3 | 36% | 0.355 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 138.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D344 | D344-A352 PolarHBondContact N-O 2.88Å; D344-A352 PolarHBondContact O-N 3.42Å |
| 353 | A | 81.6 | Confident | 71 | Confident | 11 Ų | 11 | 66.3 Ų | 66.3 | 9% | 0.091 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 141.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | V311 Q312 L315 Y342 L343 | V311-A353 HydrophobicContact CG1-CB 4.12Å; Q312-A353 HydrophobicContact CG-CB 4.03Å; Q312-A353 PolarHBondContact NE2-O 3.21Å; L315-A353 HydrophobicContact CD1-CB 4.12Å; Y342-A353 WeakPolarHBondContact O-CA 3.23Å; L343-A353 HydrophobicContact CD1-CB 3.8Å |
| 354 | G | 79.3 | Confident | 71.1 | Confident | 7 Ų | 7 | 65.9 Ų | 65.9 | 7% | 0.072 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | 167.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y341 Y342 | Y341-G354 WeakPolarHBondContact CA-O 3.5Å; Y342-G354 VanDerWaalsContact CD1-O 3.29Å; Y342-G354 WeakPolarHBondContact CD1-O 3.46Å; Y342-G354 PolarHBondContact N-O 2.95Å; Y342-G354 PolarHBondContact O-N 2.95Å; Y342-G354 VanDerWaalsContact O-N 3.13Å |
| 355 | S | 78.9 | Confident | 71.4 | Confident | 93 Ų | 93 | 66 Ų | 66 | 65% | 0.65 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 134 | 168.9 | 54.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 356 | G | 73.2 | Confident | 71.9 | Confident | 29 Ų | 29 | 66 Ų | 66 | 30% | 0.299 | 41% | 0.407 | S | S | . | . | S | Bend | trans | 128.2 | -176.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q328 Q340 | Q328-G356 PolarHBondContact NE2-O 3.49Å; Q340-G356 CarbonylContact C-O 3.52Å; Q340-G356 PolarHBondContact O-N 3.26Å |
| 357 | S | 61.3 | Low | 72.7 | Confident | 82 Ų | 82 | 64.3 Ų | 64.3 | 57% | 0.573 | 40% | 0.398 | S | S | * | . | trans | -90.7 | 145.2 | 170.4 | 49.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 358 | L | 59.5 | Low | 74 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 17% | 0.168 | 37% | 0.372 | C | S | . | . | trans | -65.4 | 144.2 | 173.9 | -72.7 | 153 | 0 | 0 | 0 | 111.4 | C326 Q328 Y342 R360 P362 | C326-L358 WeakPolarHBondContact SG-CD1 3.39Å; Q328-L358 HydrophobicContact CB-CD1 4.35Å; Y342-L358 VanDerWaalsContact CB-CG 3.44Å; Y342-L358 HydrophobicContact CD2-CD2 3.54Å; Y342-L358 HydrophobicContact CD2-CG 4.31Å; Y342-L358 HydrophobicContact CE2-CD2 4.38Å; Y342-L358 HydrophobicContact CG-CD2 3.71Å; Y342-L358 HydrophobicContact CG-CG 3.96Å; L358-R360 VanDerWaalsContact CB-O 3.23Å; L358-R360 WeakPolarHBondContact CB-O 3.41Å; L358-R360 PolarHBondContact O-N 2.98Å; L358-P362 HydrophobicContact CD1-CB 3.94Å | ||
| 359 | C | 47.5 | Very low | 75.7 | Confident | 149 Ų | 149 | 54.9 Ų | 54.9 | 100% | 1.007 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -72.5 | -1.2 | 167.6 | -65.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 360 | R | 62.5 | Low | 76.9 | Confident | 194 Ų | 194 | 55.3 Ų | 55.3 | 73% | 0.732 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -133 | 151.5 | -177.9 | -173.7 | 177.6 | -178.5 | -178.4 | 0.4 | 109.9 | L358 | L358-R360 VanDerWaalsContact CB-O 3.23Å; L358-R360 WeakPolarHBondContact CB-O 3.41Å; L358-R360 PolarHBondContact O-N 2.98Å |
| 361 | E | 67.6 | Low | 78.1 | Confident | 176 Ų | 176 | 56.1 Ų | 56.1 | 82% | 0.822 | 34% | 0.339 | S | S | * | . | trans | -59 | 128.4 | 175.8 | -65.6 | -176.2 | 169.7 | 0 | 0 | 111.3 | ||||
| 362 | P | 78.2 | Confident | 78.7 | Confident | 48 Ų | 48 | 55.9 Ų | 55.9 | 31% | 0.312 | 33% | 0.331 | S | S | . | . | trans | -76.4 | 145.8 | 179.4 | 29.8 | -33.5 | 0 | 0 | 0 | 111.8 | Q328 L358 V364 | Q328-P362 HydrophobicContact CB-CB 3.81Å; Q328-P362 HydrophobicContact CB-CG 3.99Å; L358-P362 HydrophobicContact CD1-CB 3.94Å; P362-V364 VanDerWaalsContact C-N 3.29Å | ||
| 363 | D | 81.3 | Confident | 79.1 | Confident | 87 Ų | 87 | 54.1 Ų | 54.1 | 47% | 0.465 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -70.6 | -31.4 | 173.8 | -61.6 | -52.1 | 0 | 0 | 0 | 111.2 | C326 | C326-D363 PolarHBondContact N-OD2 2.79Å; C326-D363 PolarHBondContact O-N 3.18Å |
| 364 | V | 87.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 132.1 | 180 | -177 | 0 | 0 | 0 | 0 | 110.4 | C326 F327 Q328 P362 L366 V394 Q395 T400 A401 | C326-V364 PolarHBondContact O-N 3.21Å; F327-V364 WeakPolarHBondContact CA-O 3.37Å; F327-V364 HydrophobicContact CD1-CB 4.14Å; F327-V364 HydrophobicContact CD1-CG1 4.49Å; F327-V364 HydrophobicContact CE1-CB 4.47Å; Q328-V364 PolarHBondContact N-O 3.32Å; P362-V364 VanDerWaalsContact C-N 3.29Å; V364-L366 HydrophobicContact CG1-CD2 3.63Å; V364-L366 HydrophobicContact CG1-CG 3.97Å; V364-V394 HydrophobicContact CG1-CG1 3.86Å; V364-Q395 WeakPolarHBondContact CA-O 3.41Å; V364-T400 HydrophobicContact CG2-CG2 3.72Å; V364-A401 HydrophobicContact CG1-CB 3.75Å |
| 365 | T | 88.8 | Confident | 79.5 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 13% | 0.129 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.7 | 168.3 | -54.3 | 0 | 0 | 0 | 0 | 110.1 | Q328 E330 Q395 | Q328-T365 HydrophobicContact CB-CG2 4.28Å; Q328-T365 HydrophobicContact CG-CG2 4.31Å; Q328-T365 CarbonylContact O-C 3.57Å; Q328-T365 WeakPolarHBondContact O-CA 3.45Å; E330-T365 HydrophobicContact CG-CG2 3.98Å; T365-Q395 PolarHBondContact N-O 2.93Å; T365-Q395 PolarHBondContact O-N 3.04Å |
| 366 | L | 89.8 | Confident | 79.9 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 114.5 | -175.8 | -61.4 | 179.2 | 0 | 0 | 0 | 109.9 | F327 Q328 F329 E330 V364 M368 L392 K393 V394 A401 L404 | F327-L366 HydrophobicContact CD1-CD1 4.14Å; Q328-L366 PolarHBondContact O-N 3.1Å; F329-L366 CarbonylContact C-O 3.54Å; F329-L366 WeakPolarHBondContact CA-O 3.31Å; F329-L366 HydrophobicContact CD1-CB 4.02Å; F329-L366 HydrophobicContact CD1-CD1 4.04Å; F329-L366 HydrophobicContact CE1-CB 4.34Å; F329-L366 HydrophobicContact CE1-CD1 3.5Å; F329-L366 HydrophobicContact CE1-CG 4.5Å; F329-L366 HydrophobicContact CZ-CD1 4.04Å; E330-L366 PolarHBondContact N-O 3.03Å; V364-L366 HydrophobicContact CG1-CD2 3.63Å; V364-L366 HydrophobicContact CG1-CG 3.97Å; L366-M368 HydrophobicContact CB-CE 4.46Å; L366-L392 HydrophobicContact CB-CD1 4.02Å; L366-L392 HydrophobicContact CD2-CD1 4.12Å; L366-K393 WeakPolarHBondContact CA-O 3.46Å; L366-V394 HydrophobicContact CD2-CB 4.23Å; L366-V394 HydrophobicContact CD2-CG1 4.06Å; L366-V394 HydrophobicContact CD2-CG2 3.68Å; L366-A401 HydrophobicContact CD2-CB 4.07Å; L366-L404 HydrophobicContact CD1-CD2 3.63Å |
| 367 | S | 90.6 | Very high | 80.2 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.7 | 178.9 | -35.8 | 0 | 0 | 0 | 0 | 110.8 | E330 K393 | E330-S367 VanDerWaalsContact O-CA 3.27Å; E330-S367 WeakPolarHBondContact O-CA 3.25Å; E330-S367 PolarHBondContact OE2-OG 3.11Å; S367-K393 PolarHBondContact N-O 3.5Å; S367-K393 PolarHBondContact O-N 3.31Å |
| 368 | M | 92.6 | Very high | 81.1 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.049 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 175.6 | 179.8 | 68.9 | -177.9 | 86.8 | 0 | 0 | 112.9 | E330 I331 S332 L366 L373 M376 L392 | E330-M368 PolarHBondContact O-N 2.54Å; E330-M368 VanDerWaalsContact O-N 3.11Å; I331-M368 WeakPolarHBondContact CA-O 3.48Å; I331-M368 HydrophobicContact CD1-CG 3.6Å; S332-M368 PolarHBondContact N-O 3.12Å; L366-M368 HydrophobicContact CB-CE 4.46Å; M368-L373 HydrophobicContact CE-CD1 4.09Å; M368-L373 HydrophobicContact CG-CB 4.25Å; M368-L373 HydrophobicContact CG-CD1 4.39Å; M368-L373 HydrophobicContact SD-CB 3.82Å; M368-L373 HydrophobicContact SD-CD1 3.57Å; M368-L373 VanDerWaalsContact SD-CD1 3.57Å; M368-L373 HydrophobicContact SD-CG 4.33Å; M368-M376 HydrophobicContact CE-CE 3.39Å; M368-M376 HydrophobicContact CE-SD 4.23Å; M368-M376 HydrophobicContact SD-CE 3.67Å; M368-M376 HydrophobicContact SD-SD 4.49Å; M368-L392 HydrophobicContact CB-CD1 4.29Å; M368-L392 HydrophobicContact CE-CD1 3.28Å; M368-L392 HydrophobicContact CE-CD2 4.41Å; M368-L392 HydrophobicContact CE-CG 4.35Å; M368-L392 HydrophobicContact SD-CD1 4.49Å |
| 369 | S | 90.3 | Very high | 82 | Confident | 33 Ų | 33 | 52.4 Ų | 52.4 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 156.8 | 172.6 | 74.2 | 0 | 0 | 0 | 0 | 112.1 | S332 D372 L373 | S332-S369 WeakPolarHBondContact O-CA 3.38Å; S369-D372 PolarHBondContact O-N 3.39Å; S369-D372 VanDerWaalsContact OG-CB 3.31Å; S369-D372 WeakPolarHBondContact OG-CB 3.45Å; S369-D372 PolarHBondContact OG-N 3.03Å; S369-D372 PolarHBondContact OG-OD2 3.3Å; S369-L373 WeakPolarHBondContact O-CB 3.45Å; S369-L373 PolarHBondContact O-N 3.14Å |
| 370 | D | 88.7 | Confident | 83.7 | Confident | 35 Ų | 35 | 54.1 Ų | 54.1 | 19% | 0.187 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 172.9 | 59.2 | -18.1 | 0 | 0 | 0 | 112.5 | V304 I331 S332 L373 V374 | V304-D370 HydrophobicContact CG2-CB 4.38Å; I331-D370 HydrophobicContact CG2-CB 3.94Å; S332-D370 PolarHBondContact O-N 3.22Å; D370-L373 WeakPolarHBondContact O-CB 3.46Å; D370-L373 PolarHBondContact O-N 2.85Å; D370-V374 WeakPolarHBondContact O-CG2 3.47Å; D370-V374 PolarHBondContact O-N 3.13Å |
| 371 | C | 85.7 | Confident | 84.8 | Confident | 82 Ų | 82 | 46.2 Ų | 46.2 | 55% | 0.554 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -59.4 | -47.3 | 175.4 | -68.3 | 0 | 0 | 0 | 0 | 112.1 | L373 V374 D375 | C371-L373 VanDerWaalsContact C-N 3.33Å; C371-L373 PolarHBondContact O-N 3.1Å; C371-V374 PolarHBondContact O-N 3.21Å; C371-D375 PolarHBondContact O-N 3.25Å |
| 372 | D | 88.9 | Confident | 85.7 | Confident | 22 Ų | 22 | 43.3 Ų | 43.3 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.4 | -33.9 | 179.9 | -67.2 | -50.5 | 0 | 0 | 0 | 111.4 | S369 M376 L381 K391 | S369-D372 PolarHBondContact O-N 3.39Å; S369-D372 VanDerWaalsContact OG-CB 3.31Å; S369-D372 WeakPolarHBondContact OG-CB 3.45Å; S369-D372 PolarHBondContact OG-N 3.03Å; S369-D372 PolarHBondContact OG-OD2 3.3Å; D372-M376 WeakPolarHBondContact O-CB 3.42Å; D372-M376 PolarHBondContact O-N 3.04Å; D372-L381 HydrophobicContact CB-CD2 3.93Å; D372-K391 WeakPolarHBondContact OD1-CD 3.33Å; D372-K391 IonicContact OD1-NZ 3.57Å; D372-K391 PolarHBondContact OD1-NZ 3.35Å |
| 373 | L | 86.6 | Confident | 86.2 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -48.6 | 173.7 | -174.1 | 75.5 | 0 | 0 | 0 | 110.7 | V304 I331 M368 S369 D370 C371 D375 M376 F377 | V304-L373 HydrophobicContact CB-CD2 4.46Å; V304-L373 HydrophobicContact CG1-CD2 3.61Å; V304-L373 HydrophobicContact CG2-CD2 4.05Å; I331-L373 HydrophobicContact CD1-CB 4.4Å; I331-L373 HydrophobicContact CD1-CD1 3.97Å; I331-L373 HydrophobicContact CD1-CD2 3.82Å; I331-L373 HydrophobicContact CD1-CG 4.29Å; I331-L373 HydrophobicContact CG1-CD2 3.95Å; I331-L373 HydrophobicContact CG2-CD2 4.45Å; M368-L373 HydrophobicContact CE-CD1 4.09Å; M368-L373 HydrophobicContact CG-CB 4.25Å; M368-L373 HydrophobicContact CG-CD1 4.39Å; M368-L373 HydrophobicContact SD-CB 3.82Å; M368-L373 HydrophobicContact SD-CD1 3.57Å; M368-L373 VanDerWaalsContact SD-CD1 3.57Å; M368-L373 HydrophobicContact SD-CG 4.33Å; S369-L373 WeakPolarHBondContact O-CB 3.45Å; S369-L373 PolarHBondContact O-N 3.14Å; D370-L373 WeakPolarHBondContact O-CB 3.46Å; D370-L373 PolarHBondContact O-N 2.85Å; C371-L373 VanDerWaalsContact C-N 3.33Å; C371-L373 PolarHBondContact O-N 3.1Å; L373-D375 PolarHBondContact O-N 3.3Å; L373-M376 HydrophobicContact CD1-CE 3.9Å; L373-M376 WeakPolarHBondContact O-CB 3.36Å; L373-M376 PolarHBondContact O-N 3.02Å; L373-M376 VanDerWaalsContact O-N 3.13Å; L373-F377 HydrophobicContact CD1-CD2 3.93Å; L373-F377 HydrophobicContact CD1-CE2 3.57Å; L373-F377 HydrophobicContact CG-CD2 4.01Å; L373-F377 HydrophobicContact CG-CE2 4.05Å; L373-F377 VanDerWaalsContact O-CD2 3.3Å; L373-F377 WeakPolarHBondContact O-CD2 3.18Å; L373-F377 PolarHBondContact O-N 3.23Å |
| 374 | V | 84.9 | Confident | 86.5 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 16% | 0.158 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -45.5 | 178.2 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | L307 D370 C371 M376 F377 Q378 | L307-V374 HydrophobicContact CD1-CG2 4.04Å; D370-V374 WeakPolarHBondContact O-CG2 3.47Å; D370-V374 PolarHBondContact O-N 3.13Å; C371-V374 PolarHBondContact O-N 3.21Å; V374-M376 PolarHBondContact O-N 2.8Å; V374-F377 PolarHBondContact O-N 3.26Å; V374-Q378 HydrophobicContact CG1-CG 4.4Å; V374-Q378 WeakPolarHBondContact O-CB 3.33Å; V374-Q378 VanDerWaalsContact O-CG 3.29Å; V374-Q378 WeakPolarHBondContact O-CG 3.4Å; V374-Q378 PolarHBondContact O-N 2.71Å |
| 375 | D | 85.6 | Confident | 86.5 | Confident | 49 Ų | 49 | 44.9 Ų | 44.9 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.9 | -31.5 | 176.3 | -82.5 | -22.1 | 0 | 0 | 0 | 112.5 | C371 L373 G379 R380 L381 | C371-D375 PolarHBondContact O-N 3.25Å; L373-D375 PolarHBondContact O-N 3.3Å; D375-G379 CarbonylContact O-C 3.57Å; D375-G379 WeakPolarHBondContact O-CA 3.46Å; D375-G379 PolarHBondContact O-N 3.18Å; D375-R380 HydrophobicContact CB-CB 4.32Å; D375-R380 PolarHBondContact O-N 2.92Å; D375-R380 WeakPolarHBondContact OD1-CD 3.49Å; D375-R380 IonicContact OD1-NH1 3.01Å; D375-R380 PolarHBondContact OD1-NH1 2.93Å; D375-L381 HydrophobicContact CB-CB 3.98Å; D375-L381 PolarHBondContact O-N 2.82Å |
| 376 | M | 85.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.9 | -42.2 | 176.3 | -173.4 | 176.4 | 64.6 | 0 | 0 | 111.8 | M368 D372 L373 V374 G379 L381 P383 L404 I408 | M368-M376 HydrophobicContact CE-CE 3.39Å; M368-M376 HydrophobicContact CE-SD 4.23Å; M368-M376 HydrophobicContact SD-CE 3.67Å; M368-M376 HydrophobicContact SD-SD 4.49Å; D372-M376 WeakPolarHBondContact O-CB 3.42Å; D372-M376 PolarHBondContact O-N 3.04Å; L373-M376 HydrophobicContact CD1-CE 3.9Å; L373-M376 WeakPolarHBondContact O-CB 3.36Å; L373-M376 PolarHBondContact O-N 3.02Å; L373-M376 VanDerWaalsContact O-N 3.13Å; V374-M376 PolarHBondContact O-N 2.8Å; M376-G379 VanDerWaalsContact O-CA 3.25Å; M376-G379 WeakPolarHBondContact O-CA 3.42Å; M376-G379 PolarHBondContact O-N 3.37Å; M376-L381 WeakPolarHBondContact CA-O 3.29Å; M376-P383 HydrophobicContact CG-CG 4.14Å; M376-P383 HydrophobicContact SD-CB 4.08Å; M376-P383 HydrophobicContact SD-CG 3.83Å; M376-L404 HydrophobicContact CE-CD2 3.82Å; M376-L404 HydrophobicContact SD-CD2 4.28Å; M376-I408 HydrophobicContact CE-CD1 4.29Å; M376-I408 HydrophobicContact CG-CD1 3.52Å; M376-I408 VanDerWaalsContact O-CG2 3.29Å; M376-I408 WeakPolarHBondContact O-CG2 3.45Å; M376-I408 HydrophobicContact SD-CD1 3.97Å |
| 377 | F | 80.6 | Confident | 86.5 | Confident | 29 Ų | 29 | 48 Ų | 48 | 13% | 0.127 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.5 | -35.9 | 176.3 | -88 | -101.6 | 0 | 0 | 0 | 112.9 | L307 V311 L373 V374 G379 L411 | L307-F377 HydrophobicContact CB-CD1 4.45Å; L307-F377 HydrophobicContact CD1-CB 4.03Å; L307-F377 HydrophobicContact CD1-CD2 4.34Å; L307-F377 HydrophobicContact CD1-CG 4.05Å; L307-F377 HydrophobicContact CD2-CB 3.94Å; L307-F377 HydrophobicContact CD2-CD1 4.23Å; L307-F377 HydrophobicContact CD2-CG 4.26Å; V311-F377 HydrophobicContact CG2-CE1 3.53Å; V311-F377 HydrophobicContact CG2-CZ 4.17Å; L373-F377 HydrophobicContact CD1-CD2 3.93Å; L373-F377 HydrophobicContact CD1-CE2 3.57Å; L373-F377 HydrophobicContact CG-CD2 4.01Å; L373-F377 HydrophobicContact CG-CE2 4.05Å; L373-F377 VanDerWaalsContact O-CD2 3.3Å; L373-F377 WeakPolarHBondContact O-CD2 3.18Å; L373-F377 PolarHBondContact O-N 3.23Å; V374-F377 PolarHBondContact O-N 3.26Å; F377-G379 PolarHBondContact O-N 2.88Å; F377-L411 HydrophobicContact CD1-CD1 3.67Å; F377-L411 HydrophobicContact CE1-CD1 3.47Å; F377-L411 VanDerWaalsContact CE1-CD1 3.47Å |
| 378 | Q | 80.2 | Confident | 86.5 | Confident | 88 Ų | 88 | 51.4 Ų | 51.4 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -10.2 | 168.9 | -64.9 | 177.4 | 12.9 | 0 | 0 | 111.8 | V374 R380 K412 | V374-Q378 HydrophobicContact CG1-CG 4.4Å; V374-Q378 WeakPolarHBondContact O-CB 3.33Å; V374-Q378 VanDerWaalsContact O-CG 3.29Å; V374-Q378 WeakPolarHBondContact O-CG 3.4Å; V374-Q378 PolarHBondContact O-N 2.71Å; Q378-R380 VanDerWaalsContact C-N 3.27Å; Q378-R380 HydrophobicContact CB-CG 4.46Å; Q378-R380 PolarHBondContact O-N 2.96Å; Q378-R380 VanDerWaalsContact OE1-NH1 3.16Å; Q378-K412 WeakPolarHBondContact O-CE 3.23Å; Q378-K412 PolarHBondContact O-NZ 3.47Å |
| 379 | G | 78.5 | Confident | 86.3 | Confident | 25 Ų | 25 | 54.3 Ų | 54.3 | 26% | 0.258 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 39.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D375 M376 F377 K412 | D375-G379 CarbonylContact O-C 3.57Å; D375-G379 WeakPolarHBondContact O-CA 3.46Å; D375-G379 PolarHBondContact O-N 3.18Å; M376-G379 VanDerWaalsContact O-CA 3.25Å; M376-G379 WeakPolarHBondContact O-CA 3.42Å; M376-G379 PolarHBondContact O-N 3.37Å; F377-G379 PolarHBondContact O-N 2.88Å; G379-K412 VanDerWaalsContact CA-CE 3.43Å; G379-K412 VanDerWaalsContact CA-NZ 3.28Å; G379-K412 PolarHBondContact O-NZ 3.05Å |
| 380 | R | 83.4 | Confident | 86.1 | Confident | 186 Ų | 186 | 55.2 Ų | 55.2 | 70% | 0.702 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -76.1 | -30.2 | 156.9 | -63.6 | 176.6 | -176.2 | 159.5 | 1.6 | 110.5 | D375 Q378 | D375-R380 HydrophobicContact CB-CB 4.32Å; D375-R380 PolarHBondContact O-N 2.92Å; D375-R380 WeakPolarHBondContact OD1-CD 3.49Å; D375-R380 IonicContact OD1-NH1 3.01Å; D375-R380 PolarHBondContact OD1-NH1 2.93Å; Q378-R380 VanDerWaalsContact C-N 3.27Å; Q378-R380 HydrophobicContact CB-CG 4.46Å; Q378-R380 PolarHBondContact O-N 2.96Å; Q378-R380 VanDerWaalsContact OE1-NH1 3.16Å |
| 381 | L | 84.3 | Confident | 86 | Confident | 27 Ų | 27 | 58.3 Ų | 58.3 | 14% | 0.141 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -113.9 | 124.2 | 176.8 | -173.5 | 63 | 0 | 0 | 0 | 110.4 | D372 D375 M376 A386 K391 | D372-L381 HydrophobicContact CB-CD2 3.93Å; D375-L381 HydrophobicContact CB-CB 3.98Å; D375-L381 PolarHBondContact O-N 2.82Å; M376-L381 WeakPolarHBondContact CA-O 3.29Å; L381-A386 HydrophobicContact CD1-CB 4.35Å; L381-A386 HydrophobicContact CD2-CB 3.83Å; L381-A386 HydrophobicContact CG-CB 3.99Å; L381-K391 HydrophobicContact CD2-CD 4.48Å |
| 382 | R | 88.1 | Confident | 86.2 | Confident | 115 Ų | 115 | 54.6 Ų | 54.6 | 43% | 0.434 | 28% | 0.284 | S | S | . | . | trans | -83.3 | 141.9 | 175 | -66.9 | -167.1 | -174.1 | 177.7 | 1.8 | 110.6 | T20 F384 A385 A386 | T20-R382 PolarHBondContact OG1-NH2 3.38Å; R382-F384 VanDerWaalsContact C-N 3.33Å; R382-F384 PolarHBondContact O-N 3.18Å; R382-A385 HydrophobicContact CB-CB 4.22Å; R382-A385 WeakPolarHBondContact O-CB 3.44Å; R382-A385 PolarHBondContact O-N 2.92Å; R382-A386 PolarHBondContact O-N 2.86Å | ||
| 383 | P | 87.6 | Confident | 86.3 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.9 | -42.6 | -179.5 | -27.2 | 34.1 | 0 | 0 | 0 | 114.1 | M376 A385 A386 Y387 E405 I408 | M376-P383 HydrophobicContact CG-CG 4.14Å; M376-P383 HydrophobicContact SD-CB 4.08Å; M376-P383 HydrophobicContact SD-CG 3.83Å; P383-A385 PolarHBondContact O-N 3.32Å; P383-A386 PolarHBondContact O-N 3.39Å; P383-Y387 PolarHBondContact O-N 3.46Å; P383-E405 HydrophobicContact CG-CB 4.18Å; P383-I408 HydrophobicContact CG-CD1 3.54Å |
| 384 | F | 88.4 | Confident | 86.5 | Confident | 120 Ų | 120 | 61.1 Ų | 61.1 | 53% | 0.526 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 177.2 | -175.1 | -99.7 | 0 | 0 | 0 | 112.7 | R382 Y387 T388 M402 | R382-F384 VanDerWaalsContact C-N 3.33Å; R382-F384 PolarHBondContact O-N 3.18Å; F384-Y387 PolarHBondContact O-N 2.76Å; F384-T388 HydrophobicContact CD1-CG2 4.27Å; F384-T388 HydrophobicContact CE1-CG2 3.79Å; F384-T388 HydrophobicContact CE2-CG2 4.25Å; F384-T388 HydrophobicContact CZ-CG2 3.78Å; F384-T388 WeakPolarHBondContact O-CG2 3.39Å; F384-T388 PolarHBondContact O-N 2.92Å; F384-T388 PolarHBondContact O-OG1 3.01Å; F384-M402 HydrophobicContact CB-SD 3.96Å; F384-M402 HydrophobicContact CD2-SD 3.89Å; F384-M402 HydrophobicContact CG-SD 4.45Å |
| 385 | A | 87.3 | Confident | 86.6 | Confident | 44 Ų | 44 | 65.8 Ų | 65.8 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R382 P383 Y387 T388 S389 | R382-A385 HydrophobicContact CB-CB 4.22Å; R382-A385 WeakPolarHBondContact O-CB 3.44Å; R382-A385 PolarHBondContact O-N 2.92Å; P383-A385 PolarHBondContact O-N 3.32Å; A385-Y387 VanDerWaalsContact C-N 3.31Å; A385-Y387 PolarHBondContact O-N 2.96Å; A385-T388 PolarHBondContact O-N 3.41Å; A385-T388 PolarHBondContact O-OG1 3.23Å; A385-T388 VanDerWaalsContact O-OG1 3.14Å; A385-S389 VanDerWaalsContact O-CB 3.3Å; A385-S389 WeakPolarHBondContact O-CB 3.45Å; A385-S389 PolarHBondContact O-N 2.93Å; A385-S389 PolarHBondContact O-OG 3.47Å; A385-S389 VanDerWaalsContact O-OG 3.11Å |
| 386 | A | 89.3 | Confident | 86.6 | Confident | 2 Ų | 2 | 66 Ų | 66 | 2% | 0.017 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62 | -38.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L381 R382 P383 S389 G390 K391 L392 | L381-A386 HydrophobicContact CD1-CB 4.35Å; L381-A386 HydrophobicContact CD2-CB 3.83Å; L381-A386 HydrophobicContact CG-CB 3.99Å; R382-A386 PolarHBondContact O-N 2.86Å; P383-A386 PolarHBondContact O-N 3.39Å; A386-S389 PolarHBondContact O-OG 2.87Å; A386-G390 PolarHBondContact O-N 2.95Å; A386-K391 HydrophobicContact CB-CB 4.36Å; A386-K391 WeakPolarHBondContact O-CA 3.44Å; A386-K391 PolarHBondContact O-N 3.38Å; A386-L392 HydrophobicContact CB-CB 3.65Å; A386-L392 HydrophobicContact CB-CD2 4.45Å; A386-L392 PolarHBondContact O-N 3.28Å |
| 387 | Y | 90.1 | Very high | 86.6 | Confident | 87 Ų | 87 | 69.8 Ų | 69.8 | 34% | 0.341 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.7 | -50.9 | 178.2 | 176.2 | -110.1 | 0 | 0 | 0 | 111.9 | P383 F384 A385 S389 G390 V394 V398 M402 | P383-Y387 PolarHBondContact O-N 3.46Å; F384-Y387 PolarHBondContact O-N 2.76Å; A385-Y387 VanDerWaalsContact C-N 3.31Å; A385-Y387 PolarHBondContact O-N 2.96Å; Y387-S389 VanDerWaalsContact C-N 3.28Å; Y387-S389 PolarHBondContact O-N 3.33Å; Y387-G390 PolarHBondContact O-N 3.21Å; Y387-V394 HydrophobicContact CD2-CB 4.12Å; Y387-V394 HydrophobicContact CD2-CG2 3.5Å; Y387-V394 HydrophobicContact CE2-CB 3.9Å; Y387-V394 HydrophobicContact CE2-CG2 3.82Å; Y387-V394 HydrophobicContact CG-CG2 4.39Å; Y387-V398 HydrophobicContact CE1-CG1 4.18Å; Y387-M402 HydrophobicContact CG-CE 4.42Å |
| 388 | T | 89.4 | Confident | 86.8 | Confident | 90 Ų | 90 | 71 Ų | 71 | 55% | 0.552 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66 | -29.4 | -179.8 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | F384 A385 G390 | F384-T388 HydrophobicContact CD1-CG2 4.27Å; F384-T388 HydrophobicContact CE1-CG2 3.79Å; F384-T388 HydrophobicContact CE2-CG2 4.25Å; F384-T388 HydrophobicContact CZ-CG2 3.78Å; F384-T388 WeakPolarHBondContact O-CG2 3.39Å; F384-T388 PolarHBondContact O-N 2.92Å; F384-T388 PolarHBondContact O-OG1 3.01Å; A385-T388 PolarHBondContact O-N 3.41Å; A385-T388 PolarHBondContact O-OG1 3.23Å; A385-T388 VanDerWaalsContact O-OG1 3.14Å; T388-G390 VanDerWaalsContact C-N 3.28Å |
| 389 | S | 87.8 | Confident | 87.1 | Confident | 71 Ų | 71 | 74.7 Ų | 74.7 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -2.4 | 174.3 | 76.2 | 0 | 0 | 0 | 0 | 113.9 | A385 A386 Y387 K391 | A385-S389 VanDerWaalsContact O-CB 3.3Å; A385-S389 WeakPolarHBondContact O-CB 3.45Å; A385-S389 PolarHBondContact O-N 2.93Å; A385-S389 PolarHBondContact O-OG 3.47Å; A385-S389 VanDerWaalsContact O-OG 3.11Å; A386-S389 PolarHBondContact O-OG 2.87Å; Y387-S389 VanDerWaalsContact C-N 3.28Å; Y387-S389 PolarHBondContact O-N 3.33Å; S389-K391 VanDerWaalsContact C-N 3.26Å; S389-K391 PolarHBondContact O-N 3.47Å; S389-K391 WeakPolarHBondContact OG-CG 3.25Å |
| 390 | G | 87.3 | Confident | 87.4 | Confident | 52 Ų | 52 | 74.6 Ų | 74.6 | 54% | 0.536 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 8.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A386 Y387 T388 | A386-G390 PolarHBondContact O-N 2.95Å; Y387-G390 PolarHBondContact O-N 3.21Å; T388-G390 VanDerWaalsContact C-N 3.28Å |
| 391 | K | 86.6 | Confident | 87.4 | Confident | 99 Ų | 99 | 65.9 Ų | 65.9 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -78.4 | -27.4 | 176.7 | -72.7 | 178.3 | 156.6 | -138.7 | 0 | 112.6 | D372 L381 A386 S389 | D372-K391 WeakPolarHBondContact OD1-CD 3.33Å; D372-K391 IonicContact OD1-NZ 3.57Å; D372-K391 PolarHBondContact OD1-NZ 3.35Å; L381-K391 HydrophobicContact CD2-CD 4.48Å; A386-K391 HydrophobicContact CB-CB 4.36Å; A386-K391 WeakPolarHBondContact O-CA 3.44Å; A386-K391 PolarHBondContact O-N 3.38Å; S389-K391 VanDerWaalsContact C-N 3.26Å; S389-K391 PolarHBondContact O-N 3.47Å; S389-K391 WeakPolarHBondContact OG-CG 3.25Å |
| 392 | L | 90.3 | Very high | 87.6 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.026 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -113.3 | 117.8 | 173 | 172 | 56.2 | 0 | 0 | 0 | 108.9 | L366 M368 A386 V394 | L366-L392 HydrophobicContact CB-CD1 4.02Å; L366-L392 HydrophobicContact CD2-CD1 4.12Å; M368-L392 HydrophobicContact CB-CD1 4.29Å; M368-L392 HydrophobicContact CE-CD1 3.28Å; M368-L392 HydrophobicContact CE-CD2 4.41Å; M368-L392 HydrophobicContact CE-CG 4.35Å; M368-L392 HydrophobicContact SD-CD1 4.49Å; A386-L392 HydrophobicContact CB-CB 3.65Å; A386-L392 HydrophobicContact CB-CD2 4.45Å; A386-L392 PolarHBondContact O-N 3.28Å; L392-V394 HydrophobicContact CD2-CG2 4.41Å; L392-V394 HydrophobicContact CG-CG2 4.07Å |
| 393 | K | 89.7 | Confident | 87.5 | Confident | 141 Ų | 141 | 64.7 Ų | 64.7 | 61% | 0.613 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 131.3 | 171 | -63.8 | -178.1 | -177.9 | 176.9 | 0 | 109 | L366 S367 | L366-K393 WeakPolarHBondContact CA-O 3.46Å; S367-K393 PolarHBondContact N-O 3.5Å; S367-K393 PolarHBondContact O-N 3.31Å |
| 394 | V | 91.6 | Very high | 87.2 | Confident | 24 Ų | 24 | 64.7 Ų | 64.7 | 15% | 0.145 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.3 | -179.6 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | V364 L366 Y387 L392 V398 A401 | V364-V394 HydrophobicContact CG1-CG1 3.86Å; L366-V394 HydrophobicContact CD2-CB 4.23Å; L366-V394 HydrophobicContact CD2-CG1 4.06Å; L366-V394 HydrophobicContact CD2-CG2 3.68Å; Y387-V394 HydrophobicContact CD2-CB 4.12Å; Y387-V394 HydrophobicContact CD2-CG2 3.5Å; Y387-V394 HydrophobicContact CE2-CB 3.9Å; Y387-V394 HydrophobicContact CE2-CG2 3.82Å; Y387-V394 HydrophobicContact CG-CG2 4.39Å; L392-V394 HydrophobicContact CD2-CG2 4.41Å; L392-V394 HydrophobicContact CG-CG2 4.07Å; V394-V398 HydrophobicContact CG1-CG2 4.46Å; V394-A401 HydrophobicContact CB-CB 4.48Å; V394-A401 HydrophobicContact CG1-CB 3.48Å; V394-A401 VanDerWaalsContact CG1-CB 3.48Å; V394-A401 HydrophobicContact CG2-CB 4.13Å |
| 395 | Q | 86.5 | Confident | 86.9 | Confident | 123 Ų | 123 | 62.9 Ų | 62.9 | 58% | 0.575 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.8 | 168.4 | -59.1 | -177.5 | 37.8 | 0 | 0 | 108.2 | V364 T365 | V364-Q395 WeakPolarHBondContact CA-O 3.41Å; T365-Q395 PolarHBondContact N-O 2.93Å; T365-Q395 PolarHBondContact O-N 3.04Å |
| 396 | G | 85.6 | Confident | 86.4 | Confident | 54 Ų | 54 | 63.5 Ų | 63.5 | 56% | 0.557 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 117.8 | -159 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V398 | G396-V398 PolarHBondContact O-N 3.21Å |
| 397 | D | 85.8 | Confident | 85.8 | Confident | 80 Ų | 80 | 63.9 Ų | 63.9 | 43% | 0.428 | 34% | 0.341 | S | S | . | . | trans | -74.6 | 110.9 | -179.9 | 176.3 | 25 | 0 | 0 | 0 | 111.6 | K399 T400 A401 | D397-K399 PolarHBondContact O-N 3.24Å; D397-K399 WeakPolarHBondContact OD1-CB 3.37Å; D397-K399 PolarHBondContact OD1-N 3.11Å; D397-T400 WeakPolarHBondContact O-CB 3.32Å; D397-T400 PolarHBondContact O-N 2.99Å; D397-T400 PolarHBondContact OD2-N 3.4Å; D397-T400 PolarHBondContact OD2-OG1 3.42Å; D397-A401 PolarHBondContact O-N 3.29Å | ||
| 398 | V | 86 | Confident | 85.3 | Confident | 54 Ų | 54 | 60.2 Ų | 60.2 | 33% | 0.327 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.6 | -33.6 | 178.9 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | Y387 V394 G396 T400 A401 M402 | Y387-V398 HydrophobicContact CE1-CG1 4.18Å; V394-V398 HydrophobicContact CG1-CG2 4.46Å; G396-V398 PolarHBondContact O-N 3.21Å; V398-T400 VanDerWaalsContact C-N 3.3Å; V398-T400 PolarHBondContact O-N 3.14Å; V398-A401 WeakPolarHBondContact O-CB 3.09Å; V398-A401 PolarHBondContact O-N 3.2Å; V398-M402 HydrophobicContact CG1-CE 4.39Å; V398-M402 WeakPolarHBondContact O-CG 3.33Å; V398-M402 PolarHBondContact O-N 3.5Å; V398-M402 VanDerWaalsContact O-N 3.1Å |
| 399 | K | 84.8 | Confident | 84.8 | Confident | 166 Ų | 166 | 62.1 Ų | 62.1 | 72% | 0.722 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.7 | -37.7 | 178.2 | -173.5 | -178.9 | 179.1 | -177.3 | 0 | 111.3 | D397 | D397-K399 PolarHBondContact O-N 3.24Å; D397-K399 WeakPolarHBondContact OD1-CB 3.37Å; D397-K399 PolarHBondContact OD1-N 3.11Å |
| 400 | T | 84.8 | Confident | 84 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 14% | 0.141 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.6 | -38.9 | 175.4 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | A325 F327 V364 D397 V398 M402 K403 | A325-T400 HydrophobicContact CB-CG2 3.3Å; F327-T400 HydrophobicContact CE1-CG2 4.46Å; F327-T400 WeakPolarHBondContact CE1-O 3.38Å; F327-T400 HydrophobicContact CZ-CG2 4.32Å; V364-T400 HydrophobicContact CG2-CG2 3.72Å; D397-T400 WeakPolarHBondContact O-CB 3.32Å; D397-T400 PolarHBondContact O-N 2.99Å; D397-T400 PolarHBondContact OD2-N 3.4Å; D397-T400 PolarHBondContact OD2-OG1 3.42Å; V398-T400 VanDerWaalsContact C-N 3.3Å; V398-T400 PolarHBondContact O-N 3.14Å; T400-M402 VanDerWaalsContact C-N 3.29Å; T400-M402 PolarHBondContact O-N 3.04Å; T400-K403 WeakPolarHBondContact O-CB 3.49Å; T400-K403 PolarHBondContact O-N 3.38Å; T400-K403 VanDerWaalsContact O-N 3.1Å |
| 401 | A | 85.1 | Confident | 83 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.3 | -40 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V364 L366 V394 D397 V398 K403 L404 | V364-A401 HydrophobicContact CG1-CB 3.75Å; L366-A401 HydrophobicContact CD2-CB 4.07Å; V394-A401 HydrophobicContact CB-CB 4.48Å; V394-A401 HydrophobicContact CG1-CB 3.48Å; V394-A401 VanDerWaalsContact CG1-CB 3.48Å; V394-A401 HydrophobicContact CG2-CB 4.13Å; D397-A401 PolarHBondContact O-N 3.29Å; V398-A401 WeakPolarHBondContact O-CB 3.09Å; V398-A401 PolarHBondContact O-N 3.2Å; A401-K403 PolarHBondContact O-N 2.84Å; A401-L404 WeakPolarHBondContact O-CB 3.42Å; A401-L404 PolarHBondContact O-N 3.16Å |
| 402 | M | 88.4 | Confident | 81.9 | Confident | 39 Ų | 39 | 62.5 Ų | 62.5 | 19% | 0.192 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -16.8 | -179.6 | -65.1 | -56.5 | 112.7 | 0 | 0 | 113.7 | F384 Y387 V398 T400 L404 E405 | F384-M402 HydrophobicContact CB-SD 3.96Å; F384-M402 HydrophobicContact CD2-SD 3.89Å; F384-M402 HydrophobicContact CG-SD 4.45Å; Y387-M402 HydrophobicContact CG-CE 4.42Å; V398-M402 HydrophobicContact CG1-CE 4.39Å; V398-M402 WeakPolarHBondContact O-CG 3.33Å; V398-M402 PolarHBondContact O-N 3.5Å; V398-M402 VanDerWaalsContact O-N 3.1Å; T400-M402 VanDerWaalsContact C-N 3.29Å; T400-M402 PolarHBondContact O-N 3.04Å; M402-L404 PolarHBondContact O-N 2.89Å; M402-E405 WeakPolarHBondContact O-CB 3.23Å; M402-E405 PolarHBondContact O-N 2.61Å; M402-E405 VanDerWaalsContact O-N 3.14Å |
| 403 | K | 84.4 | Confident | 80.1 | Confident | 79 Ų | 79 | 72.5 Ų | 72.5 | 34% | 0.343 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -16 | 172.6 | -62.2 | -170.1 | -175.1 | -178.1 | 0 | 113 | V323 T400 A401 E405 E406 | V323-K403 HydrophobicContact CG1-CB 4.09Å; V323-K403 HydrophobicContact CG1-CD 4.33Å; V323-K403 WeakPolarHBondContact O-CD 3.32Å; V323-K403 PolarHBondContact O-NZ 3.34Å; T400-K403 WeakPolarHBondContact O-CB 3.49Å; T400-K403 PolarHBondContact O-N 3.38Å; T400-K403 VanDerWaalsContact O-N 3.1Å; A401-K403 PolarHBondContact O-N 2.84Å; K403-E405 PolarHBondContact O-N 2.93Å; K403-E405 VanDerWaalsContact O-N 3.16Å; K403-E406 PolarHBondContact O-N 2.88Å; K403-E406 VanDerWaalsContact O-N 3.1Å |
| 404 | L | 81.4 | Confident | 79.7 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.2 | -25.8 | 171.2 | -175.7 | 63.9 | 0 | 0 | 0 | 112.9 | F329 L366 M376 A401 M402 E406 L407 I408 | F329-L404 HydrophobicContact CE1-CD1 4.27Å; F329-L404 HydrophobicContact CE1-CD2 3.86Å; F329-L404 HydrophobicContact CZ-CD1 3.82Å; F329-L404 HydrophobicContact CZ-CD2 4.23Å; L366-L404 HydrophobicContact CD1-CD2 3.63Å; M376-L404 HydrophobicContact CE-CD2 3.82Å; M376-L404 HydrophobicContact SD-CD2 4.28Å; A401-L404 WeakPolarHBondContact O-CB 3.42Å; A401-L404 PolarHBondContact O-N 3.16Å; M402-L404 PolarHBondContact O-N 2.89Å; L404-E406 VanDerWaalsContact C-N 3.29Å; L404-E406 PolarHBondContact O-N 3.26Å; L404-L407 HydrophobicContact CD1-CB 4.23Å; L404-L407 HydrophobicContact CD1-CD1 3.72Å; L404-L407 WeakPolarHBondContact O-CB 3.31Å; L404-L407 PolarHBondContact O-N 3.49Å; L404-I408 HydrophobicContact CD2-CD1 4.48Å; L404-I408 HydrophobicContact CG-CD1 4.02Å; L404-I408 WeakPolarHBondContact O-CG1 3.42Å; L404-I408 PolarHBondContact O-N 3.5Å; L404-I408 VanDerWaalsContact O-N 3.12Å |
| 405 | E | 82.6 | Confident | 79 | Confident | 82 Ų | 82 | 71.5 Ų | 71.5 | 38% | 0.383 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.2 | -34.4 | 176.8 | -170.6 | 167.9 | -164.4 | 0 | 0 | 112.6 | P383 M402 K403 L407 I408 K409 | P383-E405 HydrophobicContact CG-CB 4.18Å; M402-E405 WeakPolarHBondContact O-CB 3.23Å; M402-E405 PolarHBondContact O-N 2.61Å; M402-E405 VanDerWaalsContact O-N 3.14Å; K403-E405 PolarHBondContact O-N 2.93Å; K403-E405 VanDerWaalsContact O-N 3.16Å; E405-L407 VanDerWaalsContact C-N 3.34Å; E405-I408 PolarHBondContact O-N 2.8Å; E405-K409 WeakPolarHBondContact O-CB 3.24Å; E405-K409 PolarHBondContact O-N 3.36Å |
| 406 | E | 77.3 | Confident | 78.6 | Confident | 58 Ų | 58 | 68.6 Ų | 68.6 | 27% | 0.271 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.7 | -36.7 | 177.1 | -168.4 | 58.2 | -146.9 | 0 | 0 | 111 | K403 L404 K409 Q410 | K403-E406 PolarHBondContact O-N 2.88Å; K403-E406 VanDerWaalsContact O-N 3.1Å; L404-E406 VanDerWaalsContact C-N 3.29Å; L404-E406 PolarHBondContact O-N 3.26Å; E406-K409 PolarHBondContact O-N 3.41Å; E406-K409 IonicContact OE2-NZ 3.66Å; E406-Q410 WeakPolarHBondContact O-CG 3.35Å; E406-Q410 PolarHBondContact O-N 3.04Å; E406-Q410 VanDerWaalsContact O-N 3.12Å; E406-Q410 PolarHBondContact OE1-NE2 2.89Å; E406-Q410 VanDerWaalsContact OE1-NE2 3.1Å |
| 407 | L | 76.3 | Confident | 78.2 | Confident | 10 Ų | 10 | 69.5 Ų | 69.5 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.5 | -50.2 | 173 | -75.1 | 160.8 | 0 | 0 | 0 | 111.5 | L319 V323 F327 L343 L345 L404 E405 K409 Q410 L411 | L319-L407 HydrophobicContact CD1-CD2 3.62Å; L319-L407 HydrophobicContact CD1-CG 4.3Å; L319-L407 HydrophobicContact CD2-CD2 3.23Å; L319-L407 HydrophobicContact CG-CD2 3.52Å; V323-L407 HydrophobicContact CG2-CG 4.27Å; F327-L407 HydrophobicContact CE2-CD1 4.47Å; L343-L407 HydrophobicContact CD2-CD1 3.53Å; L343-L407 HydrophobicContact CD2-CD2 4.3Å; L345-L407 HydrophobicContact CD1-CD1 3.84Å; L345-L407 HydrophobicContact CD1-CD2 3.79Å; L345-L407 HydrophobicContact CD1-CG 4.3Å; L404-L407 HydrophobicContact CD1-CB 4.23Å; L404-L407 HydrophobicContact CD1-CD1 3.72Å; L404-L407 WeakPolarHBondContact O-CB 3.31Å; L404-L407 PolarHBondContact O-N 3.49Å; E405-L407 VanDerWaalsContact C-N 3.34Å; L407-K409 VanDerWaalsContact C-N 3.26Å; L407-K409 PolarHBondContact O-N 2.97Å; L407-Q410 PolarHBondContact O-N 3.29Å; L407-L411 WeakPolarHBondContact O-CD1 3.3Å; L407-L411 PolarHBondContact O-N 3.41Å; L407-L411 VanDerWaalsContact O-N 3.13Å |
| 408 | I | 79.4 | Confident | 77.7 | Confident | 10 Ų | 10 | 68.8 Ų | 68.8 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63 | -34.9 | 179.4 | -66.3 | 158.5 | 0 | 0 | 0 | 111.3 | M376 P383 L404 E405 L411 K412 | M376-I408 HydrophobicContact CE-CD1 4.29Å; M376-I408 HydrophobicContact CG-CD1 3.52Å; M376-I408 VanDerWaalsContact O-CG2 3.29Å; M376-I408 WeakPolarHBondContact O-CG2 3.45Å; M376-I408 HydrophobicContact SD-CD1 3.97Å; P383-I408 HydrophobicContact CG-CD1 3.54Å; L404-I408 HydrophobicContact CD2-CD1 4.48Å; L404-I408 HydrophobicContact CG-CD1 4.02Å; L404-I408 WeakPolarHBondContact O-CG1 3.42Å; L404-I408 PolarHBondContact O-N 3.5Å; L404-I408 VanDerWaalsContact O-N 3.12Å; E405-I408 PolarHBondContact O-N 2.8Å; I408-L411 WeakPolarHBondContact O-CB 3.47Å; I408-L411 PolarHBondContact O-N 2.9Å; I408-K412 PolarHBondContact O-N 2.99Å |
| 409 | K | 79.3 | Confident | 77.2 | Confident | 130 Ų | 130 | 69.8 Ų | 69.8 | 57% | 0.565 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.3 | -36.7 | 177.9 | -172 | -178.8 | 176.2 | -169.9 | 0 | 112.5 | E405 E406 L407 K412 | E405-K409 WeakPolarHBondContact O-CB 3.24Å; E405-K409 PolarHBondContact O-N 3.36Å; E406-K409 PolarHBondContact O-N 3.41Å; E406-K409 IonicContact OE2-NZ 3.66Å; L407-K409 VanDerWaalsContact C-N 3.26Å; L407-K409 PolarHBondContact O-N 2.97Å; K409-K412 PolarHBondContact O-N 2.87Å |
| 410 | Q | 71.1 | Confident | 76.6 | Confident | 65 Ų | 65 | 62.9 Ų | 62.9 | 30% | 0.304 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -72 | -32.1 | 174.8 | -61.7 | -63.1 | -19.6 | 0 | 0 | 111.9 | L319 E406 L407 K412 K413 | L319-Q410 HydrophobicContact CD1-CG 4.19Å; E406-Q410 WeakPolarHBondContact O-CG 3.35Å; E406-Q410 PolarHBondContact O-N 3.04Å; E406-Q410 VanDerWaalsContact O-N 3.12Å; E406-Q410 PolarHBondContact OE1-NE2 2.89Å; E406-Q410 VanDerWaalsContact OE1-NE2 3.1Å; L407-Q410 PolarHBondContact O-N 3.29Å; Q410-K412 PolarHBondContact O-N 3.01Å; Q410-K413 PolarHBondContact O-N 3.02Å |
| 411 | L | 65.9 | Low | 76 | Confident | 40 Ų | 40 | 66 Ų | 66 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.8 | -18.3 | 173.8 | -80.9 | 151.5 | 0 | 0 | 0 | 114.7 | R310 V311 L314 F377 L407 I408 | R310-L411 HydrophobicContact CB-CD2 4.18Å; V311-L411 HydrophobicContact CG2-CD1 4.06Å; V311-L411 HydrophobicContact CG2-CD2 4.16Å; L314-L411 HydrophobicContact CD1-CB 4.2Å; L314-L411 HydrophobicContact CD1-CD2 3.38Å; L314-L411 HydrophobicContact CD1-CG 3.66Å; F377-L411 HydrophobicContact CD1-CD1 3.67Å; F377-L411 HydrophobicContact CE1-CD1 3.47Å; F377-L411 VanDerWaalsContact CE1-CD1 3.47Å; L407-L411 WeakPolarHBondContact O-CD1 3.3Å; L407-L411 PolarHBondContact O-N 3.41Å; L407-L411 VanDerWaalsContact O-N 3.13Å; I408-L411 WeakPolarHBondContact O-CB 3.47Å; I408-L411 PolarHBondContact O-N 2.9Å |
| 412 | K | 63.1 | Low | 75.2 | Confident | 124 Ų | 124 | 71.3 Ų | 71.3 | 54% | 0.539 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -14.4 | 178.2 | -79 | -171 | 170.6 | -169.4 | 0 | 114.3 | Q378 G379 I408 K409 Q410 | Q378-K412 WeakPolarHBondContact O-CE 3.23Å; Q378-K412 PolarHBondContact O-NZ 3.47Å; G379-K412 VanDerWaalsContact CA-CE 3.43Å; G379-K412 VanDerWaalsContact CA-NZ 3.28Å; G379-K412 PolarHBondContact O-NZ 3.05Å; I408-K412 PolarHBondContact O-N 2.99Å; K409-K412 PolarHBondContact O-N 2.87Å; Q410-K412 PolarHBondContact O-N 3.01Å |
| 413 | K | 53.8 | Low | 74 | Confident | 216 Ų | 216 | 74.3 Ų | 74.3 | 94% | 0.939 | 33% | 0.334 | S | S | * | . | trans | -84 | 0 | 173.7 | -85 | -177 | 174 | -179.8 | 0 | 109.7 | Q410 | Q410-K413 PolarHBondContact O-N 3.02Š|
Retrieved 413 of 413 residues in 751.4 ms
(Link to these results)