| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.7 | Very low | 40.3 | Very low | 247 Ų | 247 | 157.5 Ų | 157.5 | 100% | 1.217 | 88% | 0.878 | S | S | * | * | 0 | 116 | 0 | -75.3 | -160.4 | -173.7 | 0 | 0 | 108.8 | |||||
| 2 | A | 37.4 | Very low | 40.5 | Very low | 111 Ų | 111 | 164.6 Ų | 164.6 | 92% | 0.917 | 88% | 0.881 | S | S | * | * | trans | 179 | 141.7 | 152 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3 | A | 42.4 | Very low | 40.8 | Very low | 93 Ų | 93 | 159.3 Ų | 159.3 | 77% | 0.769 | 87% | 0.865 | S | S | * | * | trans | -89 | 145 | -153.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 4 | L | 43.5 | Very low | 40.8 | Very low | 176 Ų | 176 | 155.1 Ų | 155.1 | 92% | 0.921 | 86% | 0.863 | S | S | * | * | trans | -88.2 | 100.1 | 163.1 | -95 | 147.1 | 0 | 0 | 0 | 108.9 | ||||
| 5 | C | 36.1 | Very low | 40.7 | Very low | 118 Ų | 118 | 158.2 Ų | 158.2 | 80% | 0.797 | 86% | 0.864 | S | S | * | * | trans | -90.7 | 113.9 | 169 | -80.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 6 | K | 40 | Very low | 40.7 | Very low | 208 Ų | 208 | 163 Ų | 163 | 90% | 0.904 | 87% | 0.866 | S | S | * | * | trans | -77.5 | 123.1 | 168.3 | -71.3 | 174.8 | 177.9 | 170.5 | 0 | 108.6 | ||||
| 7 | L | 36.8 | Very low | 40.5 | Very low | 143 Ų | 143 | 165.2 Ų | 165.2 | 75% | 0.749 | 87% | 0.866 | S | S | * | * | trans | -113.2 | 117 | 170.5 | -147.7 | 77.9 | 0 | 0 | 0 | 109.1 | F9 | L7-F9 HydrophobicContact CD2-CD2 3.63Å; L7-F9 HydrophobicContact CD2-CE2 3.57Å; L7-F9 HydrophobicContact CG-CD2 3.99Å; L7-F9 HydrophobicContact CG-CE2 4.1Å | ||
| 8 | R | 43.1 | Very low | 40.4 | Very low | 243 Ų | 243 | 161.2 Ų | 161.2 | 92% | 0.917 | 86% | 0.855 | S | S | * | * | trans | -86.9 | 129.2 | 165.1 | -78.3 | -173.2 | 140.3 | 118.7 | -1.2 | 107.8 | ||||
| 9 | F | 36.7 | Very low | 40.7 | Very low | 189 Ų | 189 | 158.3 Ų | 158.3 | 83% | 0.829 | 85% | 0.849 | S | S | * | * | trans | -123.9 | 127.1 | 166.9 | -107.6 | -97.8 | 0 | 0 | 0 | 109.9 | L7 | L7-F9 HydrophobicContact CD2-CD2 3.63Å; L7-F9 HydrophobicContact CD2-CE2 3.57Å; L7-F9 HydrophobicContact CG-CD2 3.99Å; L7-F9 HydrophobicContact CG-CE2 4.1Å | ||
| 10 | G | 38.3 | Very low | 40.8 | Very low | 72 Ų | 72 | 154.6 Ų | 154.6 | 74% | 0.742 | 84% | 0.835 | S | S | * | * | trans | -78.9 | 152.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R12 | G10-R12 PolarHBondContact O-N 3.17Š| ||
| 11 | C | 47.7 | Very low | 41.1 | Very low | 133 Ų | 133 | 153.5 Ų | 153.5 | 90% | 0.899 | 83% | 0.834 | S | S | * | * | trans | -62.4 | 122.6 | 171.2 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 12 | R | 42.5 | Very low | 40.9 | Very low | 242 Ų | 242 | 146 Ų | 146 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | trans | -139.6 | 111.4 | 152.5 | -70 | -164.4 | 174.2 | -153.8 | -1.9 | 110.4 | G10 | G10-R12 PolarHBondContact O-N 3.17Š| ||
| 13 | S | 43.9 | Very low | 41.3 | Very low | 96 Ų | 96 | 146.3 Ų | 146.3 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | 18.7 | 119.8 | 155.1 | 58.3 | 0 | 0 | 0 | 0 | 119.4 | F15 | S13-F15 PolarHBondContact O-N 3.39Š| ||
| 14 | A | 41.3 | Very low | 41.1 | Very low | 101 Ų | 101 | 152.1 Ų | 152.1 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -63.2 | 121.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 15 | F | 38.8 | Very low | 41.2 | Very low | 201 Ų | 201 | 148.7 Ų | 148.7 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -94.5 | 105.8 | 158.2 | -91 | -87.9 | 0 | 0 | 0 | 108.4 | S13 | S13-F15 PolarHBondContact O-N 3.39Š| ||
| 16 | R | 41.3 | Very low | 41.7 | Very low | 235 Ų | 235 | 147.4 Ų | 147.4 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | -87.9 | 113.7 | 168.8 | -123.9 | -171.4 | -86 | 174.5 | -7 | 107.3 | S18 | R16-S18 PolarHBondContact O-N 3.27Š| ||
| 17 | F | 37.2 | Very low | 41.9 | Very low | 200 Ų | 200 | 146.5 Ų | 146.5 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -75.3 | 102 | 169.8 | -153.8 | -96.8 | 0 | 0 | 0 | 107.8 | ||||
| 18 | S | 38 | Very low | 42.1 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | trans | -116 | 99.6 | 171 | 179.1 | 0 | 0 | 0 | 0 | 107.2 | R16 S20 | R16-S18 PolarHBondContact O-N 3.27Å; S18-S20 PolarHBondContact O-N 2.88Å | ||
| 19 | S | 46.6 | Very low | 42.7 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -76.4 | 74.2 | 171.4 | 38.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 20 | S | 42.7 | Very low | 42.9 | Very low | 83 Ų | 83 | 136.5 Ų | 136.5 | 58% | 0.58 | 76% | 0.764 | S | S | * | * | trans | -91 | 99.4 | 155.2 | 55.9 | 0 | 0 | 0 | 0 | 107.3 | S18 S22 | S18-S20 PolarHBondContact O-N 2.88Å; S20-S22 PolarHBondContact O-N 3.3Å | ||
| 21 | V | 47.9 | Very low | 43.6 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | -68.1 | 85.1 | 162.5 | 170.3 | 0 | 0 | 0 | 0 | 106.5 | V23 | V21-V23 HydrophobicContact CG1-CG2 3.89Å; V21-V23 PolarHBondContact O-N 3.01Å | ||
| 22 | S | 36.6 | Very low | 44 | Very low | 89 Ų | 89 | 141 Ų | 141 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | trans | -75.5 | 98.8 | 159.6 | -76.2 | 0 | 0 | 0 | 0 | 106.6 | S20 R24 | S20-S22 PolarHBondContact O-N 3.3Å; S22-R24 PolarHBondContact O-N 3.39Å | ||
| 23 | V | 45.7 | Very low | 43.9 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | trans | -65.1 | 89.7 | 157.1 | -173.1 | 0 | 0 | 0 | 0 | 105.8 | V21 T25 | V21-V23 HydrophobicContact CG1-CG2 3.89Å; V21-V23 PolarHBondContact O-N 3.01Å; V23-T25 VanDerWaalsContact C-N 3.32Å; V23-T25 HydrophobicContact CG1-CG2 4.16Å; V23-T25 PolarHBondContact O-N 3.32Å; V23-T25 VanDerWaalsContact O-N 3.08Å | ||
| 24 | R | 39 | Very low | 44.4 | Very low | 216 Ų | 216 | 135.6 Ų | 135.6 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | trans | -73.2 | 92.8 | 166.6 | -76.9 | -174.1 | 174.2 | -165.5 | -1.5 | 106.6 | S22 S26 | S22-R24 PolarHBondContact O-N 3.39Å; R24-S26 PolarHBondContact O-N 3.38Å | ||
| 25 | T | 45.8 | Very low | 44.9 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 64% | 0.638 | 76% | 0.764 | S | S | * | * | trans | -73.3 | 75 | 155.5 | 51.7 | 0 | 0 | 0 | 0 | 107.3 | V23 F27 | V23-T25 VanDerWaalsContact C-N 3.32Å; V23-T25 HydrophobicContact CG1-CG2 4.16Å; V23-T25 PolarHBondContact O-N 3.32Å; V23-T25 VanDerWaalsContact O-N 3.08Å; T25-F27 VanDerWaalsContact C-N 3.29Å; T25-F27 PolarHBondContact O-N 3.33Å | ||
| 26 | S | 45.1 | Very low | 45.6 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | trans | -73.8 | 91.6 | 165.2 | 36.5 | 0 | 0 | 0 | 0 | 107.4 | R24 S28 | R24-S26 PolarHBondContact O-N 3.38Å; S26-S28 PolarHBondContact O-N 2.9Å | ||
| 27 | F | 45.7 | Very low | 46.4 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -69.7 | 83.1 | 157.5 | -75.1 | -85.1 | 0 | 0 | 0 | 107 | T25 S29 | T25-F27 VanDerWaalsContact C-N 3.29Å; T25-F27 PolarHBondContact O-N 3.33Å; F27-S29 PolarHBondContact O-N 2.87Å | ||
| 28 | S | 40.9 | Very low | 47.5 | Very low | 99 Ų | 99 | 126.2 Ų | 126.2 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | -76.6 | 95.3 | 167.7 | -82.3 | 0 | 0 | 0 | 0 | 107.9 | S26 D30 | S26-S28 PolarHBondContact O-N 2.9Å; S28-D30 VanDerWaalsContact C-N 3.32Å; S28-D30 PolarHBondContact O-N 3.06Å | ||
| 29 | S | 55.7 | Low | 49.1 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | trans | -80.2 | 87.8 | 153.1 | -72.5 | 0 | 0 | 0 | 0 | 107 | F27 | F27-S29 PolarHBondContact O-N 2.87Š| ||
| 30 | D | 40.5 | Very low | 51 | Low | 150 Ų | 150 | 123 Ų | 123 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | trans | -96.5 | 111.9 | 163.4 | -107.1 | -36.2 | 0 | 0 | 0 | 108.1 | S28 | S28-D30 VanDerWaalsContact C-N 3.32Å; S28-D30 PolarHBondContact O-N 3.06Å | ||
| 31 | S | 51.8 | Low | 53.3 | Low | 107 Ų | 107 | 127.4 Ų | 127.4 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | -81.7 | 119 | 168.6 | -64.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 32 | E | 57 | Low | 55.1 | Low | 193 Ų | 193 | 124.7 Ų | 124.7 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | 74.3 | 105 | 155.2 | -44.2 | -160.5 | 145.8 | 0 | 0 | 118.7 | ||||
| 33 | D | 41.5 | Very low | 57.6 | Low | 165 Ų | 165 | 121.5 Ų | 121.5 | 88% | 0.882 | 72% | 0.72 | S | S | * | * | -156 | 136.9 | 120.3 | -155 | -2.6 | 0 | 0 | 0 | 110.5 | T35 | D33-T35 PolarHBondContact O-N 2.68Š| |||
| 34 | G | 54.3 | Low | 59.7 | Low | 60 Ų | 60 | 118.7 Ų | 118.7 | 62% | 0.619 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -71.7 | 124 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 35 | T | 49.9 | Very low | 62.2 | Low | 147 Ų | 147 | 114.5 Ų | 114.5 | 90% | 0.902 | 70% | 0.697 | S | S | * | * | trans | 158.7 | 17.3 | 144.8 | 36.6 | 0 | 0 | 0 | 0 | 114.5 | D33 | D33-T35 PolarHBondContact O-N 2.68Š| ||
| 36 | R | 55.1 | Low | 64.4 | Low | 224 Ų | 224 | 115.4 Ų | 115.4 | 85% | 0.845 | 69% | 0.694 | S | S | * | * | trans | -113.7 | 75.8 | 165.4 | -70.5 | -172.4 | 179 | 134.1 | 0.5 | 111.2 | G38 | R36-G38 PolarHBondContact O-N 2.99Š| ||
| 37 | A | 57 | Low | 66.6 | Low | 115 Ų | 115 | 119.7 Ų | 119.7 | 95% | 0.95 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | 99 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 38 | G | 59.9 | Low | 68.7 | Low | 53 Ų | 53 | 116 Ų | 116 | 55% | 0.546 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 125.2 | 22.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 117 | R36 A43 | R36-G38 PolarHBondContact O-N 2.99Å; G38-A43 WeakPolarHBondContact O-CB 3.46Å |
| 39 | A | 72.9 | Confident | 71 | Confident | 79 Ų | 79 | 113.3 Ų | 113.3 | 65% | 0.653 | 67% | 0.665 | S | S | * | * | trans | -101.7 | 148.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 40 | G | 86.8 | Confident | 72.7 | Confident | 54 Ų | 54 | 111.9 Ų | 111.9 | 56% | 0.557 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 103.8 | -179 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A42 A43 A44 | G40-A42 PolarHBondContact O-N 2.73Å; G40-A43 PolarHBondContact O-N 3.13Å; G40-A44 PolarHBondContact O-N 2.89Å; G40-A44 VanDerWaalsContact O-N 3.15Å |
| 41 | F | 89.4 | Confident | 74.9 | Confident | 176 Ų | 176 | 110.1 Ų | 110.1 | 77% | 0.772 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -61.6 | -40.9 | -174.8 | -179 | -97.8 | 0 | 0 | 0 | 112.9 | A43 A44 F45 | F41-A43 PolarHBondContact O-N 2.87Å; F41-A44 PolarHBondContact O-N 3.31Å; F41-F45 WeakPolarHBondContact O-CB 3.27Å; F41-F45 PolarHBondContact O-N 3.02Å |
| 42 | A | 86.8 | Confident | 76.4 | Confident | 75 Ų | 75 | 110.4 Ų | 110.4 | 62% | 0.62 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61.8 | -42.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G40 F45 Q46 | G40-A42 PolarHBondContact O-N 2.73Å; A42-F45 PolarHBondContact O-N 3.01Å; A42-Q46 WeakPolarHBondContact O-CB 3.49Å; A42-Q46 PolarHBondContact O-N 2.99Å |
| 43 | A | 89.3 | Confident | 77.7 | Confident | 22 Ų | 22 | 108.7 Ų | 108.7 | 18% | 0.182 | 61% | 0.61 | C | S | . | * | H | α-helix | trans | -70.5 | -37 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G38 G40 F41 Q46 R47 | G38-A43 WeakPolarHBondContact O-CB 3.46Å; G40-A43 PolarHBondContact O-N 3.13Å; F41-A43 PolarHBondContact O-N 2.87Å; A43-Q46 PolarHBondContact O-N 3.18Å; A43-R47 PolarHBondContact O-N 3.23Å; A43-R47 VanDerWaalsContact O-N 3.08Å |
| 44 | A | 89.6 | Confident | 79.6 | Confident | 59 Ų | 59 | 106 Ų | 106 | 49% | 0.488 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.5 | -42.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G40 F41 R47 Q48 | G40-A44 PolarHBondContact O-N 2.89Å; G40-A44 VanDerWaalsContact O-N 3.15Å; F41-A44 PolarHBondContact O-N 3.31Å; A44-R47 PolarHBondContact O-N 3.37Å; A44-Q48 PolarHBondContact O-N 2.77Å |
| 45 | F | 91.4 | Very high | 80.6 | Confident | 127 Ų | 127 | 105.8 Ų | 105.8 | 56% | 0.557 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.7 | -44 | 176.4 | -177.7 | -96.5 | 0 | 0 | 0 | 111.9 | F41 A42 R47 Q48 A49 | F41-F45 WeakPolarHBondContact O-CB 3.27Å; F41-F45 PolarHBondContact O-N 3.02Å; A42-F45 PolarHBondContact O-N 3.01Å; F45-R47 PolarHBondContact O-N 3.17Å; F45-Q48 PolarHBondContact O-N 2.79Å; F45-Q48 VanDerWaalsContact O-N 3.16Å; F45-A49 PolarHBondContact O-N 2.94Å |
| 46 | Q | 92.5 | Very high | 81.6 | Confident | 123 Ų | 123 | 106 Ų | 106 | 58% | 0.575 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.7 | -40.4 | 178.7 | -166.7 | 164.4 | 5.3 | 0 | 0 | 112.1 | A42 A43 A49 E50 | A42-Q46 WeakPolarHBondContact O-CB 3.49Å; A42-Q46 PolarHBondContact O-N 2.99Å; A43-Q46 PolarHBondContact O-N 3.18Å; Q46-A49 PolarHBondContact O-N 2.97Å; Q46-E50 WeakPolarHBondContact O-CG 3.46Å; Q46-E50 PolarHBondContact O-N 3.27Å |
| 47 | R | 89.8 | Confident | 82.2 | Confident | 181 Ų | 181 | 101.3 Ų | 101.3 | 68% | 0.683 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.3 | -40.9 | 171.3 | -82 | -151.7 | 170.8 | 127.1 | 0.2 | 113.1 | A43 A44 F45 A49 E50 L51 | A43-R47 PolarHBondContact O-N 3.23Å; A43-R47 VanDerWaalsContact O-N 3.08Å; A44-R47 PolarHBondContact O-N 3.37Å; F45-R47 PolarHBondContact O-N 3.17Å; R47-A49 VanDerWaalsContact C-N 3.33Å; R47-E50 PolarHBondContact O-N 2.72Å; R47-L51 WeakPolarHBondContact O-CG 3.17Å; R47-L51 PolarHBondContact O-N 2.76Å |
| 48 | Q | 89.8 | Confident | 82.5 | Confident | 111 Ų | 111 | 99.9 Ų | 99.9 | 52% | 0.519 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 177.5 | -175.8 | 176.3 | -20.1 | 0 | 0 | 111.6 | A44 F45 L51 Q52 | A44-Q48 PolarHBondContact O-N 2.77Å; F45-Q48 PolarHBondContact O-N 2.79Å; F45-Q48 VanDerWaalsContact O-N 3.16Å; Q48-L51 PolarHBondContact O-N 2.93Å; Q48-Q52 WeakPolarHBondContact O-CG 3.4Å; Q48-Q52 PolarHBondContact O-N 2.82Å |
| 49 | A | 90.1 | Very high | 82.1 | Confident | 42 Ų | 42 | 101.3 Ų | 101.3 | 35% | 0.347 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.9 | -38.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F45 Q46 R47 Q52 R53 | F45-A49 PolarHBondContact O-N 2.94Å; Q46-A49 PolarHBondContact O-N 2.97Å; R47-A49 VanDerWaalsContact C-N 3.33Å; A49-Q52 PolarHBondContact O-N 2.73Å; A49-R53 PolarHBondContact O-N 3Å |
| 50 | E | 91.7 | Very high | 81.2 | Confident | 86 Ų | 86 | 103.3 Ų | 103.3 | 40% | 0.402 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.7 | -46 | 173.4 | -76.4 | 171.8 | -179.2 | 0 | 0 | 111.6 | Q46 R47 Q52 R53 E54 | Q46-E50 WeakPolarHBondContact O-CG 3.46Å; Q46-E50 PolarHBondContact O-N 3.27Å; R47-E50 PolarHBondContact O-N 2.72Å; E50-Q52 VanDerWaalsContact C-N 3.35Å; E50-Q52 PolarHBondContact O-N 3.38Å; E50-R53 PolarHBondContact O-N 3.15Å; E50-E54 WeakPolarHBondContact O-CG 3.37Å; E50-E54 PolarHBondContact O-N 2.83Å |
| 51 | L | 85.5 | Confident | 79.5 | Confident | 113 Ų | 113 | 107.6 Ų | 107.6 | 59% | 0.592 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.8 | -39 | 176.9 | -70.7 | 171.6 | 0 | 0 | 0 | 112.9 | R47 Q48 E54 A55 | R47-L51 WeakPolarHBondContact O-CG 3.17Å; R47-L51 PolarHBondContact O-N 2.76Å; Q48-L51 PolarHBondContact O-N 2.93Å; L51-E54 PolarHBondContact O-N 2.88Å; L51-A55 PolarHBondContact O-N 2.79Å |
| 52 | Q | 84.8 | Confident | 78 | Confident | 114 Ų | 114 | 107.2 Ų | 107.2 | 53% | 0.533 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.1 | -44.3 | 174.6 | -76.6 | 179.7 | -26.8 | 0 | 0 | 111.6 | Q48 A49 E50 E54 A55 E56 | Q48-Q52 WeakPolarHBondContact O-CG 3.4Å; Q48-Q52 PolarHBondContact O-N 2.82Å; A49-Q52 PolarHBondContact O-N 2.73Å; E50-Q52 VanDerWaalsContact C-N 3.35Å; E50-Q52 PolarHBondContact O-N 3.38Å; Q52-E54 VanDerWaalsContact C-N 3.31Å; Q52-E54 PolarHBondContact O-N 3.01Å; Q52-A55 PolarHBondContact O-N 3.28Å; Q52-E56 WeakPolarHBondContact O-CG 3.35Å; Q52-E56 PolarHBondContact O-N 2.91Å |
| 53 | R | 82.8 | Confident | 76 | Confident | 156 Ų | 156 | 109.1 Ų | 109.1 | 59% | 0.589 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.9 | -34.7 | 176.6 | -164.2 | -177 | 74.5 | -173.5 | 0.6 | 112.3 | A49 E50 N57 | A49-R53 PolarHBondContact O-N 3Å; E50-R53 PolarHBondContact O-N 3.15Å; R53-N57 WeakPolarHBondContact O-CB 3.4Å; R53-N57 PolarHBondContact O-N 2.88Å; R53-N57 VanDerWaalsContact O-N 3.07Å; R53-N57 PolarHBondContact O-ND2 3.47Å |
| 54 | E | 81.4 | Confident | 73.8 | Confident | 109 Ų | 109 | 112.4 Ų | 112.4 | 51% | 0.509 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.7 | -37 | 175.1 | -74.1 | 173.7 | -177.2 | 0 | 0 | 112.4 | E50 L51 Q52 N57 S58 | E50-E54 WeakPolarHBondContact O-CG 3.37Å; E50-E54 PolarHBondContact O-N 2.83Å; L51-E54 PolarHBondContact O-N 2.88Å; Q52-E54 VanDerWaalsContact C-N 3.31Å; Q52-E54 PolarHBondContact O-N 3.01Å; E54-N57 PolarHBondContact O-N 3.33Å; E54-S58 VanDerWaalsContact O-CB 3.32Å; E54-S58 WeakPolarHBondContact O-CB 3.48Å; E54-S58 PolarHBondContact O-N 2.94Å; E54-S58 VanDerWaalsContact O-N 3.14Å; E54-S58 PolarHBondContact O-OG 2.91Å |
| 55 | A | 75.3 | Confident | 71.6 | Confident | 55 Ų | 55 | 114.5 Ų | 114.5 | 46% | 0.455 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.1 | -41.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L51 Q52 S58 | L51-A55 PolarHBondContact O-N 2.79Å; Q52-A55 PolarHBondContact O-N 3.28Å; A55-S58 PolarHBondContact O-N 3.38Å; A55-S58 PolarHBondContact O-OG 3.01Å |
| 56 | E | 71.4 | Confident | 70 | Confident | 152 Ų | 152 | 115.8 Ų | 115.8 | 71% | 0.71 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.5 | -35.9 | 176.2 | -70.1 | 172.7 | 180 | 0 | 0 | 112.7 | Q52 | Q52-E56 WeakPolarHBondContact O-CG 3.35Å; Q52-E56 PolarHBondContact O-N 2.91Å |
| 57 | N | 69.1 | Low | 67.8 | Low | 125 Ų | 125 | 115.6 Ų | 115.6 | 67% | 0.668 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -83 | -11.7 | -178.8 | -74 | -19.4 | 0 | 0 | 0 | 114.5 | R53 E54 | R53-N57 WeakPolarHBondContact O-CB 3.4Å; R53-N57 PolarHBondContact O-N 2.88Å; R53-N57 VanDerWaalsContact O-N 3.07Å; R53-N57 PolarHBondContact O-ND2 3.47Å; E54-N57 PolarHBondContact O-N 3.33Å |
| 58 | S | 61.7 | Low | 66.2 | Low | 85 Ų | 85 | 110.2 Ų | 110.2 | 59% | 0.594 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 16.4 | -176 | 54 | 0 | 0 | 0 | 0 | 114.6 | E54 A55 P60 | E54-S58 VanDerWaalsContact O-CB 3.32Å; E54-S58 WeakPolarHBondContact O-CB 3.48Å; E54-S58 PolarHBondContact O-N 2.94Å; E54-S58 VanDerWaalsContact O-N 3.14Å; E54-S58 PolarHBondContact O-OG 2.91Å; A55-S58 PolarHBondContact O-N 3.38Å; A55-S58 PolarHBondContact O-OG 3.01Å; S58-P60 WeakPolarHBondContact O-CD 3.22Å |
| 59 | A | 52.8 | Low | 64.9 | Low | 84 Ų | 84 | 112.7 Ų | 112.7 | 69% | 0.694 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 122 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 60 | P | 53.2 | Low | 63.9 | Low | 120 Ų | 120 | 119 Ų | 119 | 78% | 0.779 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 138.7 | 173.8 | 32.8 | -29.5 | 0 | 0 | 0 | 111.2 | S58 | S58-P60 WeakPolarHBondContact O-CD 3.22Š|
| 61 | D | 51.6 | Low | 63.2 | Low | 144 Ų | 144 | 121 Ų | 121 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -65.8 | 128.4 | 163.1 | -149.5 | -2 | 0 | 0 | 0 | 108.9 | ||
| 62 | Q | 57.2 | Low | 63.4 | Low | 168 Ų | 168 | 120.5 Ų | 120.5 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | trans | 62.4 | 98 | 166.7 | -62.8 | 173 | 58.7 | 0 | 0 | 119.7 | ||||
| 63 | S | 44.5 | Very low | 63.4 | Low | 116 Ų | 116 | 122.2 Ų | 122.2 | 81% | 0.811 | 70% | 0.702 | S | S | * | * | -178.7 | 112.5 | 121.6 | -167.9 | 0 | 0 | 0 | 0 | 111.1 | S65 | S63-S65 PolarHBondContact O-N 2.92Š| |||
| 64 | G | 43 | Very low | 63.5 | Low | 91 Ų | 91 | 118.2 Ų | 118.2 | 94% | 0.938 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 55.4 | 16.9 | 142 | 0 | 0 | 0 | 0 | 0 | 122 | ||
| 65 | S | 44.7 | Very low | 63.7 | Low | 102 Ų | 102 | 114.5 Ų | 114.5 | 71% | 0.713 | 69% | 0.688 | S | S | * | * | trans | -114.6 | 124.4 | 168.5 | 64.7 | 0 | 0 | 0 | 0 | 110 | S63 | S63-S65 PolarHBondContact O-N 2.92Š| ||
| 66 | I | 56.9 | Low | 64 | Low | 155 Ų | 155 | 117 Ų | 117 | 80% | 0.795 | 69% | 0.693 | S | S | * | * | trans | -46.2 | 130.7 | 169.6 | -61.8 | -175.8 | 0 | 0 | 0 | 106.9 | G68 | I66-G68 VanDerWaalsContact C-N 3.34Å; I66-G68 PolarHBondContact O-N 2.89Å | ||
| 67 | P | 47.2 | Very low | 64.3 | Low | 119 Ų | 119 | 114.9 Ų | 114.9 | 77% | 0.773 | 68% | 0.682 | S | S | * | * | trans | -54.8 | 103.2 | -176.9 | 22.9 | -32.9 | 0 | 0 | 0 | 107.8 | Q69 | P67-Q69 PolarHBondContact O-N 2.88Š| ||
| 68 | G | 54.8 | Low | 64.5 | Low | 67 Ų | 67 | 117.1 Ų | 117.1 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | trans | -73.1 | 87.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | I66 E70 | I66-G68 VanDerWaalsContact C-N 3.34Å; I66-G68 PolarHBondContact O-N 2.89Å; G68-E70 PolarHBondContact O-N 3.41Å | ||
| 69 | Q | 63.7 | Low | 64.8 | Low | 163 Ų | 163 | 117.4 Ų | 117.4 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | trans | -46.4 | 111.9 | 166.4 | -167.4 | 174.6 | 27 | 0 | 0 | 106 | P67 Q71 | P67-Q69 PolarHBondContact O-N 2.88Å; Q69-Q71 VanDerWaalsContact C-N 3.25Å; Q69-Q71 PolarHBondContact O-N 3.29Å | ||
| 70 | E | 69.1 | Low | 65.6 | Low | 174 Ų | 174 | 117 Ų | 117 | 81% | 0.813 | 69% | 0.685 | S | S | * | * | trans | -59.3 | 96 | 179.6 | -70.5 | -168.1 | 162.4 | 0 | 0 | 107.5 | G68 T72 | G68-E70 PolarHBondContact O-N 3.41Å; E70-T72 PolarHBondContact O-N 3.19Å | ||
| 71 | Q | 77.1 | Confident | 66.1 | Low | 129 Ų | 129 | 113.4 Ų | 113.4 | 60% | 0.603 | 66% | 0.661 | S | S | * | * | trans | -72 | 101.3 | -176.9 | -83.6 | 175.3 | 51.9 | 0 | 0 | 106.6 | Q69 S75 | Q69-Q71 VanDerWaalsContact C-N 3.25Å; Q69-Q71 PolarHBondContact O-N 3.29Å; Q71-S75 VanDerWaalsContact CA-OG 3.31Å; Q71-S75 WeakPolarHBondContact CA-OG 3.41Å; Q71-S75 WeakPolarHBondContact CB-OG 3.29Å | ||
| 72 | T | 88.6 | Confident | 67.2 | Low | 102 Ų | 102 | 110.3 Ų | 110.3 | 63% | 0.626 | 65% | 0.647 | S | S | * | * | trans | -54.2 | 146 | 169.4 | -58 | 0 | 0 | 0 | 0 | 108.4 | E70 A74 S75 | E70-T72 PolarHBondContact O-N 3.19Å; T72-A74 HydrophobicContact CG2-CB 4.32Å; T72-A74 PolarHBondContact O-N 2.82Å; T72-S75 PolarHBondContact N-OG 2.8Å; T72-S75 WeakPolarHBondContact O-CB 3.4Å; T72-S75 PolarHBondContact O-N 2.84Å; T72-S75 PolarHBondContact O-OG 3.04Å | ||
| 73 | F | 85.6 | Confident | 68.5 | Low | 150 Ų | 150 | 109.7 Ų | 109.7 | 66% | 0.658 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -46.2 | -36.6 | 178.2 | 178.8 | -111.2 | 0 | 0 | 0 | 113.7 | S75 L76 F77 | F73-S75 VanDerWaalsContact C-N 3.3Å; F73-S75 PolarHBondContact O-N 3.11Å; F73-L76 HydrophobicContact CD2-CD1 4.33Å; F73-L76 WeakPolarHBondContact O-CB 3.47Å; F73-L76 PolarHBondContact O-N 2.86Å; F73-F77 AromaticContact CD1-CE2 3.69Å; F73-F77 HydrophobicContact CD1-CE2 3.69Å; F73-F77 HydrophobicContact CD1-CZ 4.45Å; F73-F77 HydrophobicContact CD2-CE2 4.09Å; F73-F77 AromaticContact CE1-CE2 3.33Å; F73-F77 HydrophobicContact CE1-CE2 3.33Å; F73-F77 AromaticContact CE1-CZ 3.66Å; F73-F77 HydrophobicContact CE1-CZ 3.66Å; F73-F77 AromaticContact CE2-CE2 3.76Å; F73-F77 HydrophobicContact CE2-CE2 3.76Å; F73-F77 AromaticContact CE2-CZ 3.84Å; F73-F77 HydrophobicContact CE2-CZ 3.84Å; F73-F77 HydrophobicContact CG-CE2 4.08Å; F73-F77 AromaticContact CZ-CE2 3.38Å; F73-F77 HydrophobicContact CZ-CE2 3.38Å; F73-F77 AromaticContact CZ-CZ 3.32Å; F73-F77 HydrophobicContact CZ-CZ 3.32Å; F73-F77 VanDerWaalsContact O-CD2 3.27Å; F73-F77 WeakPolarHBondContact O-CD2 3.47Å; F73-F77 WeakPolarHBondContact O-CE2 3.38Å |
| 74 | A | 84.9 | Confident | 70.5 | Confident | 72 Ų | 72 | 108.9 Ų | 108.9 | 60% | 0.595 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -59.1 | -34.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | T72 L76 F77 | T72-A74 HydrophobicContact CG2-CB 4.32Å; T72-A74 PolarHBondContact O-N 2.82Å; A74-L76 PolarHBondContact O-N 2.99Å; A74-F77 PolarHBondContact O-N 2.83Å |
| 75 | S | 85.4 | Confident | 72.8 | Confident | 32 Ų | 32 | 109.4 Ų | 109.4 | 22% | 0.224 | 60% | 0.601 | C | S | . | * | G | 310 helix | trans | -68.4 | -21.4 | -179.7 | 65.7 | 0 | 0 | 0 | 0 | 113.4 | Q71 T72 F73 F77 Q78 | Q71-S75 VanDerWaalsContact CA-OG 3.31Å; Q71-S75 WeakPolarHBondContact CA-OG 3.41Å; Q71-S75 WeakPolarHBondContact CB-OG 3.29Å; T72-S75 PolarHBondContact N-OG 2.8Å; T72-S75 WeakPolarHBondContact O-CB 3.4Å; T72-S75 PolarHBondContact O-N 2.84Å; T72-S75 PolarHBondContact O-OG 3.04Å; F73-S75 VanDerWaalsContact C-N 3.3Å; F73-S75 PolarHBondContact O-N 3.11Å; S75-F77 VanDerWaalsContact C-N 3.28Å; S75-F77 PolarHBondContact O-N 3.43Å; S75-Q78 WeakPolarHBondContact O-CG 3.45Å |
| 76 | L | 81.9 | Confident | 75.1 | Confident | 106 Ų | 106 | 108.8 Ų | 108.8 | 56% | 0.555 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -72.3 | -20.2 | 178.2 | -58 | 176.3 | 0 | 0 | 0 | 113 | F73 A74 Q78 | F73-L76 HydrophobicContact CD2-CD1 4.33Å; F73-L76 WeakPolarHBondContact O-CB 3.47Å; F73-L76 PolarHBondContact O-N 2.86Å; A74-L76 PolarHBondContact O-N 2.99Å; L76-Q78 VanDerWaalsContact C-N 3.34Å; L76-Q78 PolarHBondContact O-N 3.49Å |
| 77 | F | 78.3 | Confident | 76.9 | Confident | 108 Ų | 108 | 102.5 Ų | 102.5 | 47% | 0.474 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -87.8 | 6.3 | -175.8 | -66.4 | -82.6 | 0 | 0 | 0 | 114.7 | F73 A74 S75 A79 V80 | F73-F77 AromaticContact CD1-CE2 3.69Å; F73-F77 HydrophobicContact CD1-CE2 3.69Å; F73-F77 HydrophobicContact CD1-CZ 4.45Å; F73-F77 HydrophobicContact CD2-CE2 4.09Å; F73-F77 AromaticContact CE1-CE2 3.33Å; F73-F77 HydrophobicContact CE1-CE2 3.33Å; F73-F77 AromaticContact CE1-CZ 3.66Å; F73-F77 HydrophobicContact CE1-CZ 3.66Å; F73-F77 AromaticContact CE2-CE2 3.76Å; F73-F77 HydrophobicContact CE2-CE2 3.76Å; F73-F77 AromaticContact CE2-CZ 3.84Å; F73-F77 HydrophobicContact CE2-CZ 3.84Å; F73-F77 HydrophobicContact CG-CE2 4.08Å; F73-F77 AromaticContact CZ-CE2 3.38Å; F73-F77 HydrophobicContact CZ-CE2 3.38Å; F73-F77 AromaticContact CZ-CZ 3.32Å; F73-F77 HydrophobicContact CZ-CZ 3.32Å; F73-F77 VanDerWaalsContact O-CD2 3.27Å; F73-F77 WeakPolarHBondContact O-CD2 3.47Å; F73-F77 WeakPolarHBondContact O-CE2 3.38Å; A74-F77 PolarHBondContact O-N 2.83Å; S75-F77 VanDerWaalsContact C-N 3.28Å; S75-F77 PolarHBondContact O-N 3.43Å; F77-A79 PolarHBondContact O-N 2.72Å; F77-A79 VanDerWaalsContact O-N 3.09Å; F77-V80 HydrophobicContact CB-CG2 4.07Å; F77-V80 HydrophobicContact CD1-CG2 3.83Å; F77-V80 HydrophobicContact CG-CG2 4.47Å; F77-V80 WeakPolarHBondContact O-CG2 3.39Å; F77-V80 PolarHBondContact O-N 3Å |
| 78 | Q | 71.9 | Confident | 79.2 | Confident | 173 Ų | 173 | 99.2 Ų | 99.2 | 81% | 0.808 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -59.4 | -24.3 | 179.4 | -71.1 | 177.3 | -1.8 | 0 | 0 | 113.3 | S75 L76 | S75-Q78 WeakPolarHBondContact O-CG 3.45Å; L76-Q78 VanDerWaalsContact C-N 3.34Å; L76-Q78 PolarHBondContact O-N 3.49Å |
| 79 | A | 68.4 | Low | 81.1 | Confident | 90 Ų | 90 | 96.1 Ų | 96.1 | 74% | 0.744 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -104.6 | 17.5 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | F77 P81 | F77-A79 PolarHBondContact O-N 2.72Å; F77-A79 VanDerWaalsContact O-N 3.09Å; A79-P81 WeakPolarHBondContact O-CD 3.38Å |
| 80 | V | 69.5 | Low | 82.7 | Confident | 77 Ų | 77 | 92.1 Ų | 92.1 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | trans | -63.5 | 126.9 | -179.3 | 177.1 | 0 | 0 | 0 | 0 | 110.6 | F77 V82 | F77-V80 HydrophobicContact CB-CG2 4.07Å; F77-V80 HydrophobicContact CD1-CG2 3.83Å; F77-V80 HydrophobicContact CG-CG2 4.47Å; F77-V80 WeakPolarHBondContact O-CG2 3.39Å; F77-V80 PolarHBondContact O-N 3Å; V80-V82 PolarHBondContact O-N 3.45Å | ||
| 81 | P | 64.9 | Low | 84.1 | Confident | 44 Ų | 44 | 83.9 Ų | 83.9 | 29% | 0.286 | 45% | 0.452 | S | S | . | . | trans | -57.4 | 112.8 | 171.7 | -26 | 35.7 | 0 | 0 | 0 | 110.8 | A79 V87 | A79-P81 WeakPolarHBondContact O-CD 3.38Å; P81-V87 HydrophobicContact CB-CG1 4.27Å | ||
| 82 | V | 74.6 | Confident | 85.1 | Confident | 78 Ų | 78 | 82 Ų | 82 | 47% | 0.473 | 44% | 0.442 | S | S | . | . | trans | -88.1 | 153.2 | 174.1 | -177 | 0 | 0 | 0 | 0 | 108.2 | V80 K85 | V80-V82 PolarHBondContact O-N 3.45Å; V82-K85 HydrophobicContact CB-CD 3.88Å; V82-K85 HydrophobicContact CB-CG 4.36Å; V82-K85 HydrophobicContact CG2-CD 4.42Å; V82-K85 VanDerWaalsContact CG2-NZ 3.33Å; V82-K85 WeakPolarHBondContact O-CB 3.44Å; V82-K85 WeakPolarHBondContact O-CG 3.4Å; V82-K85 PolarHBondContact O-N 3.47Å | ||
| 83 | R | 84.1 | Confident | 85.5 | Confident | 156 Ų | 156 | 81.3 Ų | 81.3 | 59% | 0.589 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.6 | 145.5 | 171 | -63.7 | -178.1 | 174.2 | 160.8 | -3.5 | 111.6 | K85 L132 D133 | R83-K85 PolarHBondContact O-N 3.07Å; R83-L132 WeakPolarHBondContact CG-O 3.38Å; R83-D133 IonicContact NE-OD1 3.78Å; R83-D133 IonicContact NH2-OD1 3.13Å |
| 84 | D | 86.9 | Confident | 86.1 | Confident | 98 Ų | 98 | 76.1 Ų | 76.1 | 52% | 0.524 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 14.4 | -178.8 | -72.9 | -64.3 | 0 | 0 | 0 | 116.9 | K130 V131 | D84-K130 WeakPolarHBondContact OD1-CE 3.37Å; D84-K130 IonicContact OD1-NZ 2.79Å; D84-K130 PolarHBondContact OD1-NZ 3.44Å; D84-V131 WeakPolarHBondContact CA-O 3.27Å; D84-V131 PolarHBondContact N-O 3.38Å |
| 85 | K | 89.9 | Confident | 86.7 | Confident | 102 Ų | 102 | 75 Ų | 75 | 44% | 0.443 | 40% | 0.398 | S | S | . | . | trans | -88 | 145.8 | 174.7 | -68.4 | -174.7 | 175.7 | 170.6 | 0 | 112.6 | V82 R83 V131 | V82-K85 HydrophobicContact CB-CD 3.88Å; V82-K85 HydrophobicContact CB-CG 4.36Å; V82-K85 HydrophobicContact CG2-CD 4.42Å; V82-K85 VanDerWaalsContact CG2-NZ 3.33Å; V82-K85 WeakPolarHBondContact O-CB 3.44Å; V82-K85 WeakPolarHBondContact O-CG 3.4Å; V82-K85 PolarHBondContact O-N 3.47Å; R83-K85 PolarHBondContact O-N 3.07Å; K85-V131 PolarHBondContact O-N 3.08Å | ||
| 86 | V | 93.6 | Very high | 87.1 | Confident | 89 Ų | 89 | 83.2 Ų | 83.2 | 54% | 0.539 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 123.8 | 169.3 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | L129 L157 | V86-L129 CarbonylContact C-O 3.56Å; V86-L129 VanDerWaalsContact CA-O 3.26Å; V86-L129 WeakPolarHBondContact CA-O 3.35Å; V86-L157 HydrophobicContact CG1-CD1 3.95Å; V86-L157 HydrophobicContact CG2-CD1 4.05Å |
| 87 | V | 94.3 | Very high | 87.7 | Confident | 24 Ų | 24 | 83.1 Ų | 83.1 | 15% | 0.145 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 165 | -179.5 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | P81 F103 L129 V131 | P81-V87 HydrophobicContact CB-CG1 4.27Å; V87-F103 HydrophobicContact CG2-CB 3.78Å; V87-F103 HydrophobicContact CG2-CD2 4.24Å; V87-F103 HydrophobicContact CG2-CG 4.07Å; V87-L129 HydrophobicContact CG2-CB 4.08Å; V87-L129 PolarHBondContact N-O 3.49Å; V87-L129 PolarHBondContact O-N 3.44Å; V87-V131 HydrophobicContact CG1-CG2 4.31Å; V87-V131 HydrophobicContact CG2-CG2 3.54Å |
| 88 | V | 95.3 | Very high | 88.6 | Confident | 50 Ų | 50 | 79.9 Ų | 79.9 | 30% | 0.303 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 129.4 | 172.6 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | R126 V127 L160 | V88-R126 HydrophobicContact CG1-CB 4.46Å; V88-V127 WeakPolarHBondContact CA-O 3.33Å; V88-L160 HydrophobicContact CG1-CD2 3.96Å; V88-L160 HydrophobicContact CG2-CD1 4.09Å |
| 89 | G | 96.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 167.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D102 R126 V127 | G89-D102 CarbonylContact C-O 3.54Å; G89-D102 WeakPolarHBondContact CA-O 3.36Å; G89-R126 CarbonylContact O-C 3.49Å; G89-R126 WeakPolarHBondContact O-CA 3.45Å; G89-V127 PolarHBondContact N-O 3.14Å; G89-V127 PolarHBondContact O-N 3.25Å |
| 90 | N | 97.4 | Very high | 91.3 | Very high | 79 Ų | 79 | 70.4 Ų | 70.4 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 130.8 | 179.5 | -63.7 | -19.1 | 0 | 0 | 0 | 109.2 | F92 I101 D102 R126 | N90-F92 PolarHBondContact O-N 3.45Å; N90-I101 WeakPolarHBondContact O-CA 3.45Å; N90-D102 PolarHBondContact N-O 3.32Å; N90-D102 PolarHBondContact O-N 3.31Å; N90-R126 WeakPolarHBondContact OD1-CG 3.39Å |
| 91 | I | 97.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 112.1 | 175.5 | -54 | -178.4 | 0 | 0 | 0 | 108.5 | V94 L99 Y100 I101 L121 G124 S125 V127 | I91-V94 HydrophobicContact CG2-CG2 3.63Å; I91-L99 HydrophobicContact CD1-CD1 4.16Å; I91-L99 HydrophobicContact CD1-CD2 4.48Å; I91-Y100 CarbonylContact C-O 3.4Å; I91-Y100 WeakPolarHBondContact CA-O 3.38Å; I91-I101 HydrophobicContact CG1-CG1 4.23Å; I91-L121 HydrophobicContact CD1-CB 3.87Å; I91-L121 HydrophobicContact CD1-CD2 4.49Å; I91-G124 PolarHBondContact O-N 2.94Å; I91-S125 PolarHBondContact N-O 2.78Å; I91-V127 HydrophobicContact CD1-CG1 3.98Å; I91-V127 HydrophobicContact CG1-CG1 4.18Å; I91-V127 HydrophobicContact CG1-CG2 4.39Å |
| 92 | F | 97.8 | Very high | 94.2 | Very high | 89 Ų | 89 | 68.2 Ų | 68.2 | 39% | 0.39 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -22.5 | -179.1 | 71.2 | -91.3 | 0 | 0 | 0 | 113.2 | N90 Y100 D102 H108 R123 | N90-F92 PolarHBondContact O-N 3.45Å; F92-Y100 WeakPolarHBondContact CD1-O 3.34Å; F92-Y100 HydrophobicContact CZ-CD1 4.25Å; F92-Y100 HydrophobicContact CZ-CG 4.39Å; F92-Y100 PolarHBondContact N-O 2.79Å; F92-D102 HydrophobicContact CD1-CB 3.87Å; F92-D102 HydrophobicContact CE1-CB 4.22Å; F92-H108 HydrophobicContact CE1-CB 3.74Å; F92-H108 AromaticContact CE1-CG 3.99Å; F92-H108 HydrophobicContact CZ-CB 4.2Å; F92-H108 AromaticContact CZ-CG 3.94Å; F92-R123 WeakPolarHBondContact O-CD 3.38Å; F92-R123 WeakPolarHBondContact O-CG 3.36Å; F92-R123 PolarHBondContact O-NE 3.43Å |
| 93 | H | 97.7 | Very high | 95.2 | Very high | 87 Ų | 87 | 65.6 Ų | 65.6 | 40% | 0.403 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 147.4 | 179 | -168.5 | -115.5 | 0 | 0 | 0 | 111.1 | V95 Y100 | H93-V95 WeakPolarHBondContact CE1-CG2 3.34Å; H93-V95 WeakPolarHBondContact ND1-CG2 3.39Å; H93-Y100 HydrophobicContact CB-CD2 4.34Å; H93-Y100 HydrophobicContact CB-CG 4.23Å; H93-Y100 AromaticContact ND1-CD2 3.89Å; H93-Y100 WeakPolarHBondContact O-CB 3.15Å; H93-Y100 PolarHBondContact O-N 3.36Å |
| 94 | V | 97.2 | Very high | 95.6 | Very high | 42 Ų | 42 | 61.3 Ų | 61.3 | 26% | 0.255 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 122.5 | -178.2 | 175.7 | 0 | 0 | 0 | 0 | 107.9 | I91 D98 L99 R113 | I91-V94 HydrophobicContact CG2-CG2 3.63Å; V94-D98 WeakPolarHBondContact CA-O 3.46Å; V94-L99 HydrophobicContact CG1-CD2 4.03Å; V94-L99 HydrophobicContact CG2-CD2 3.89Å; V94-R113 VanDerWaalsContact CG1-NH2 3.34Å |
| 95 | V | 97.1 | Very high | 95.9 | Very high | 49 Ų | 49 | 58.1 Ų | 58.1 | 30% | 0.297 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 102.2 | 178.3 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | H93 D97 D98 Y100 | H93-V95 WeakPolarHBondContact CE1-CG2 3.34Å; H93-V95 WeakPolarHBondContact ND1-CG2 3.39Å; V95-D97 PolarHBondContact O-N 2.78Å; V95-D98 PolarHBondContact N-O 3.4Å; V95-D98 WeakPolarHBondContact O-CB 3.4Å; V95-D98 PolarHBondContact O-N 2.91Å; V95-Y100 HydrophobicContact CB-CE2 4.1Å; V95-Y100 HydrophobicContact CG2-CD2 4.27Å; V95-Y100 HydrophobicContact CG2-CE2 3.67Å |
| 96 | R | 94.9 | Very high | 96.1 | Very high | 203 Ų | 203 | 60.6 Ų | 60.6 | 77% | 0.766 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | -113.2 | -172.9 | -55.5 | 174.4 | -68.9 | -177.1 | -0.9 | 109.8 | ||
| 97 | D | 94.9 | Very high | 96.2 | Very high | 104 Ų | 104 | 57.8 Ų | 57.8 | 56% | 0.556 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -3 | 178.4 | -61.7 | -41 | 0 | 0 | 0 | 113.4 | V95 R112 R113 | V95-D97 PolarHBondContact O-N 2.78Å; D97-R112 CarbonylContact O-C 3.6Å; D97-R112 WeakPolarHBondContact O-CA 3.07Å; D97-R113 HydrophobicContact CB-CB 4.31Å; D97-R113 WeakPolarHBondContact O-CB 3.5Å; D97-R113 PolarHBondContact O-N 2.96Å |
| 98 | D | 97.1 | Very high | 96.4 | Very high | 40 Ų | 40 | 59.3 Ų | 59.3 | 21% | 0.214 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 121.7 | -179.7 | -57.6 | -44.1 | 0 | 0 | 0 | 110.1 | V94 V95 Y100 V110 | V94-D98 WeakPolarHBondContact CA-O 3.46Å; V95-D98 PolarHBondContact N-O 3.4Å; V95-D98 WeakPolarHBondContact O-CB 3.4Å; V95-D98 PolarHBondContact O-N 2.91Å; D98-Y100 HydrophobicContact CB-CE2 4.4Å; D98-V110 HydrophobicContact CB-CG1 3.94Å |
| 99 | L | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 118.1 | 179.8 | -52.7 | 176.7 | 0 | 0 | 0 | 108.9 | I91 V94 I101 V110 C111 R113 L121 L156 | I91-L99 HydrophobicContact CD1-CD1 4.16Å; I91-L99 HydrophobicContact CD1-CD2 4.48Å; V94-L99 HydrophobicContact CG1-CD2 4.03Å; V94-L99 HydrophobicContact CG2-CD2 3.89Å; L99-I101 HydrophobicContact CB-CD1 4.22Å; L99-I101 HydrophobicContact CB-CG1 4.19Å; L99-V110 WeakPolarHBondContact O-CA 3.08Å; L99-C111 WeakPolarHBondContact CA-O 3.45Å; L99-C111 VanDerWaalsContact CB-O 3.29Å; L99-C111 WeakPolarHBondContact CB-O 3.19Å; L99-C111 PolarHBondContact N-O 3.19Å; L99-C111 PolarHBondContact O-N 3.09Å; L99-R113 HydrophobicContact CD1-CB 4.38Å; L99-R113 HydrophobicContact CG-CB 4.45Å; L99-L121 HydrophobicContact CD1-CB 4.16Å; L99-L121 HydrophobicContact CD1-CD1 3.95Å; L99-L156 HydrophobicContact CD1-CD2 3.97Å |
| 100 | Y | 98.1 | Very high | 96.6 | Very high | 65 Ų | 65 | 59.1 Ų | 59.1 | 26% | 0.255 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 119.1 | 175 | -69.5 | -105.8 | 0 | 0 | 0 | 109.3 | I91 F92 H93 V95 D98 H108 V110 | I91-Y100 CarbonylContact C-O 3.4Å; I91-Y100 WeakPolarHBondContact CA-O 3.38Å; F92-Y100 WeakPolarHBondContact CD1-O 3.34Å; F92-Y100 HydrophobicContact CZ-CD1 4.25Å; F92-Y100 HydrophobicContact CZ-CG 4.39Å; F92-Y100 PolarHBondContact N-O 2.79Å; H93-Y100 HydrophobicContact CB-CD2 4.34Å; H93-Y100 HydrophobicContact CB-CG 4.23Å; H93-Y100 AromaticContact ND1-CD2 3.89Å; H93-Y100 WeakPolarHBondContact O-CB 3.15Å; H93-Y100 PolarHBondContact O-N 3.36Å; V95-Y100 HydrophobicContact CB-CE2 4.1Å; V95-Y100 HydrophobicContact CG2-CD2 4.27Å; V95-Y100 HydrophobicContact CG2-CE2 3.67Å; D98-Y100 HydrophobicContact CB-CE2 4.4Å; Y100-H108 AromaticContact CD1-CD2 3.66Å; Y100-H108 AromaticContact CD1-NE2 3.47Å; Y100-H108 WeakPolarHBondContact CD1-NE2 3.49Å; Y100-H108 AromaticContact CE1-NE2 3.81Å; Y100-V110 HydrophobicContact CD1-CG2 3.72Å; Y100-V110 HydrophobicContact CE1-CG2 3.62Å; Y100-V110 HydrophobicContact CE2-CG1 4.48Å; Y100-V110 HydrophobicContact CG-CG2 4.3Å |
| 101 | I | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 121.6 | -166 | -42.2 | 175.8 | 0 | 0 | 0 | 109.6 | N90 I91 L99 H108 C109 C111 V127 L129 L156 | N90-I101 WeakPolarHBondContact O-CA 3.45Å; I91-I101 HydrophobicContact CG1-CG1 4.23Å; L99-I101 HydrophobicContact CB-CD1 4.22Å; L99-I101 HydrophobicContact CB-CG1 4.19Å; I101-H108 WeakPolarHBondContact O-CA 3.46Å; I101-H108 WeakPolarHBondContact O-CB 3.26Å; I101-C109 PolarHBondContact N-O 3.37Å; I101-C109 PolarHBondContact O-N 3.04Å; I101-C111 HydrophobicContact CD1-CB 3.98Å; I101-V127 HydrophobicContact CD1-CG2 4.17Å; I101-V127 HydrophobicContact CG2-CG2 3.59Å; I101-L129 HydrophobicContact CB-CD1 4.11Å; I101-L129 HydrophobicContact CD1-CD2 3.82Å; I101-L129 HydrophobicContact CG2-CD1 3.48Å; I101-L129 VanDerWaalsContact CG2-CD1 3.48Å; I101-L129 HydrophobicContact CG2-CD2 4.48Å; I101-L129 HydrophobicContact CG2-CG 4.37Å; I101-L156 HydrophobicContact CD1-CD1 4.29Å |
| 102 | D | 97.3 | Very high | 96.5 | Very high | 75 Ų | 75 | 65.5 Ų | 65.5 | 40% | 0.401 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 131.1 | 173.6 | 179.6 | 21 | 0 | 0 | 0 | 109.9 | G89 N90 F92 G104 | G89-D102 CarbonylContact C-O 3.54Å; G89-D102 WeakPolarHBondContact CA-O 3.36Å; N90-D102 PolarHBondContact N-O 3.32Å; N90-D102 PolarHBondContact O-N 3.31Å; F92-D102 HydrophobicContact CD1-CB 3.87Å; F92-D102 HydrophobicContact CE1-CB 4.22Å; D102-G104 PolarHBondContact OD1-N 3.27Å |
| 103 | F | 95.4 | Very high | 96.3 | Very high | 22 Ų | 22 | 63.8 Ų | 63.8 | 10% | 0.096 | 32% | 0.316 | C | S | . | . | trans | -122 | 15.5 | 178 | 57.2 | -94.1 | 0 | 0 | 0 | 112.4 | V87 F107 C109 L129 V131 A152 | V87-F103 HydrophobicContact CG2-CB 3.78Å; V87-F103 HydrophobicContact CG2-CD2 4.24Å; V87-F103 HydrophobicContact CG2-CG 4.07Å; F103-F107 WeakPolarHBondContact CZ-O 3.22Å; F103-C109 HydrophobicContact CE1-CB 4.19Å; F103-L129 HydrophobicContact CB-CD1 4.28Å; F103-L129 HydrophobicContact CD1-CD1 4.06Å; F103-V131 HydrophobicContact CD2-CG2 4.26Å; F103-V131 HydrophobicContact CE2-CG2 4.12Å; F103-V131 HydrophobicContact CZ-CG1 4.49Å; F103-V131 HydrophobicContact CZ-CG2 4.29Å; F103-A152 HydrophobicContact CE1-CB 3.84Å; F103-A152 HydrophobicContact CZ-CB 3.63Å | ||
| 104 | G | 93.2 | Very high | 96.2 | Very high | 66 Ų | 66 | 62 Ų | 62 | 68% | 0.68 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 81.7 | 15.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D102 | D102-G104 PolarHBondContact OD1-N 3.27Š|
| 105 | G | 92.3 | Very high | 95.9 | Very high | 32 Ų | 32 | 65.5 Ų | 65.5 | 33% | 0.33 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -83.2 | 178.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F107 | G105-F107 VanDerWaalsContact C-N 3.32Š|
| 106 | K | 93.9 | Very high | 95.6 | Very high | 154 Ų | 154 | 67.4 Ų | 67.4 | 67% | 0.67 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -63.5 | -40.3 | 171.9 | 179.3 | -176.6 | 169.7 | -161.2 | 0 | 111.6 | E135 | K106-E135 IonicContact NZ-OE1 2.74Å; K106-E135 PolarHBondContact NZ-OE1 2.85Å; K106-E135 IonicContact NZ-OE2 2.69Å; K106-E135 PolarHBondContact NZ-OE2 3.41Å |
| 107 | F | 96.9 | Very high | 95 | Very high | 29 Ų | 29 | 60.2 Ų | 60.2 | 13% | 0.127 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -120.3 | 147.2 | 177.8 | -60.6 | -69.5 | 0 | 0 | 0 | 110.6 | F103 G105 E135 L150 A152 | F103-F107 WeakPolarHBondContact CZ-O 3.22Å; G105-F107 VanDerWaalsContact C-N 3.32Å; F107-E135 HydrophobicContact CD2-CB 4.02Å; F107-E135 HydrophobicContact CD2-CG 3.94Å; F107-E135 HydrophobicContact CE2-CB 4.13Å; F107-E135 HydrophobicContact CE2-CG 3.61Å; F107-E135 WeakPolarHBondContact CE2-OE2 3.15Å; F107-L150 VanDerWaalsContact CD1-C 3.43Å; F107-L150 HydrophobicContact CD1-CB 4.13Å; F107-L150 WeakPolarHBondContact CD1-O 3.33Å; F107-L150 HydrophobicContact CE1-CB 3.81Å; F107-L150 HydrophobicContact CE1-CD2 3.61Å; F107-L150 HydrophobicContact CE1-CG 4.33Å; F107-L150 HydrophobicContact CZ-CD2 3.69Å; F107-A152 HydrophobicContact CB-CB 4.49Å |
| 108 | H | 97.4 | Very high | 94.6 | Very high | 57 Ų | 57 | 55.3 Ų | 55.3 | 26% | 0.264 | 33% | 0.33 | S | S | . | . | trans | -77 | 165.6 | 169.5 | 62 | -83.1 | 0 | 0 | 0 | 110.1 | F92 Y100 I101 E151 A152 | F92-H108 HydrophobicContact CE1-CB 3.74Å; F92-H108 AromaticContact CE1-CG 3.99Å; F92-H108 HydrophobicContact CZ-CB 4.2Å; F92-H108 AromaticContact CZ-CG 3.94Å; Y100-H108 AromaticContact CD1-CD2 3.66Å; Y100-H108 AromaticContact CD1-NE2 3.47Å; Y100-H108 WeakPolarHBondContact CD1-NE2 3.49Å; Y100-H108 AromaticContact CE1-NE2 3.81Å; I101-H108 WeakPolarHBondContact O-CA 3.46Å; I101-H108 WeakPolarHBondContact O-CB 3.26Å; H108-E151 WeakPolarHBondContact O-CA 3.45Å; H108-A152 PolarHBondContact O-N 3.06Å | ||
| 109 | C | 97.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.007 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 152.9 | 168.6 | 64.6 | 0 | 0 | 0 | 0 | 111 | I101 F103 A152 A154 | I101-C109 PolarHBondContact N-O 3.37Å; I101-C109 PolarHBondContact O-N 3.04Å; F103-C109 HydrophobicContact CE1-CB 4.19Å; C109-A152 WeakPolarHBondContact CA-O 3.35Å; C109-A152 HydrophobicContact CB-CB 4.22Å; C109-A152 WeakPolarHBondContact CB-O 3.49Å; C109-A154 HydrophobicContact CB-CB 3.96Å |
| 110 | V | 98 | Very high | 93.8 | Very high | 45 Ų | 45 | 71.3 Ų | 71.3 | 27% | 0.273 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 120.8 | 172.6 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | D98 L99 Y100 | D98-V110 HydrophobicContact CB-CG1 3.94Å; L99-V110 WeakPolarHBondContact O-CA 3.08Å; Y100-V110 HydrophobicContact CD1-CG2 3.72Å; Y100-V110 HydrophobicContact CE1-CG2 3.62Å; Y100-V110 HydrophobicContact CE2-CG1 4.48Å; Y100-V110 HydrophobicContact CG-CG2 4.3Å |
| 111 | C | 97 | Very high | 93.6 | Very high | 11 Ų | 11 | 68.4 Ų | 68.4 | 7% | 0.074 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 142.2 | 177 | -63.5 | 0 | 0 | 0 | 0 | 110.2 | L99 I101 L156 | L99-C111 WeakPolarHBondContact CA-O 3.45Å; L99-C111 VanDerWaalsContact CB-O 3.29Å; L99-C111 WeakPolarHBondContact CB-O 3.19Å; L99-C111 PolarHBondContact N-O 3.19Å; L99-C111 PolarHBondContact O-N 3.09Å; I101-C111 HydrophobicContact CD1-CB 3.98Å; C111-L156 HydrophobicContact CB-CB 3.98Å; C111-L156 HydrophobicContact CB-CD2 4.43Å |
| 112 | R | 96.3 | Very high | 93.4 | Very high | 205 Ų | 205 | 73.2 Ų | 73.2 | 77% | 0.774 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 145.6 | 172.2 | -73.3 | -174 | 176.7 | 171.2 | 1.2 | 111.3 | D97 | D97-R112 CarbonylContact O-C 3.6Å; D97-R112 WeakPolarHBondContact O-CA 3.07Å |
| 113 | R | 95.4 | Very high | 93.3 | Very high | 52 Ų | 52 | 78.8 Ų | 78.8 | 20% | 0.196 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 125.1 | 172.9 | -174.4 | -177.1 | -61.1 | -85.2 | -1.8 | 109 | V94 D97 L99 G118 L121 | V94-R113 VanDerWaalsContact CG1-NH2 3.34Å; D97-R113 HydrophobicContact CB-CB 4.31Å; D97-R113 WeakPolarHBondContact O-CB 3.5Å; D97-R113 PolarHBondContact O-N 2.96Å; L99-R113 HydrophobicContact CD1-CB 4.38Å; L99-R113 HydrophobicContact CG-CB 4.45Å; R113-G118 PolarHBondContact NH1-O 3.24Å; R113-L121 PolarHBondContact NH1-O 3.39Å |
| 114 | P | 94.8 | Very high | 93.3 | Very high | 50 Ų | 50 | 80.5 Ų | 80.5 | 33% | 0.325 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 140.9 | 176.4 | 27 | -30.9 | 0 | 0 | 0 | 110 | A116 G118 L121 L156 | P114-A116 VanDerWaalsContact C-N 3.28Å; P114-A116 PolarHBondContact O-N 3.33Å; P114-G118 VanDerWaalsContact O-CA 3.27Å; P114-G118 WeakPolarHBondContact O-CA 3.34Å; P114-G118 PolarHBondContact O-N 3.45Å; P114-L121 HydrophobicContact CG-CD1 4Å; P114-L156 HydrophobicContact CG-CD2 4.36Å |
| 115 | A | 90.8 | Very high | 93.4 | Very high | 116 Ų | 116 | 78.8 Ų | 78.8 | 96% | 0.959 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -38.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 116 | A | 90 | Very high | 93.6 | Very high | 89 Ų | 89 | 83.4 Ų | 83.4 | 74% | 0.736 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 121 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | P114 G118 | P114-A116 VanDerWaalsContact C-N 3.28Å; P114-A116 PolarHBondContact O-N 3.33Å; A116-G118 PolarHBondContact O-N 3.32Å; A116-G118 VanDerWaalsContact O-N 3.13Å |
| 117 | G | 83.1 | Confident | 93.7 | Very high | 51 Ų | 51 | 76.1 Ų | 76.1 | 53% | 0.526 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 6 | 173 | 0 | 0 | 0 | 0 | 0 | 115.3 | E119 R120 | G117-E119 PolarHBondContact O-N 2.92Å; G117-R120 PolarHBondContact O-N 2.83Å |
| 118 | G | 85.9 | Confident | 93.6 | Very high | 2 Ų | 2 | 77.7 Ų | 77.7 | 2% | 0.021 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -63 | -25.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | R113 P114 A116 R120 L121 | R113-G118 PolarHBondContact NH1-O 3.24Å; P114-G118 VanDerWaalsContact O-CA 3.27Å; P114-G118 WeakPolarHBondContact O-CA 3.34Å; P114-G118 PolarHBondContact O-N 3.45Å; A116-G118 PolarHBondContact O-N 3.32Å; A116-G118 VanDerWaalsContact O-N 3.13Å; G118-R120 PolarHBondContact O-N 2.92Å; G118-R120 VanDerWaalsContact O-N 3.17Å; G118-L121 WeakPolarHBondContact O-CB 3.33Å; G118-L121 PolarHBondContact O-N 2.72Å |
| 119 | E | 88.1 | Confident | 93.5 | Very high | 170 Ų | 170 | 75 Ų | 75 | 79% | 0.794 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -59.1 | -28.5 | -179.9 | -62.9 | -174.8 | 169 | 0 | 0 | 113.5 | G117 L121 Q122 | G117-E119 PolarHBondContact O-N 2.92Å; E119-L121 PolarHBondContact O-N 2.82Å; E119-Q122 PolarHBondContact O-NE2 2.78Å |
| 120 | R | 90 | Very high | 93.4 | Very high | 206 Ų | 206 | 78.4 Ų | 78.4 | 78% | 0.777 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -74 | -15.5 | 178.4 | -59.8 | 179.5 | -176.8 | 178.5 | 0.7 | 112.9 | G117 G118 Q122 S125 | G117-R120 PolarHBondContact O-N 2.83Å; G118-R120 PolarHBondContact O-N 2.92Å; G118-R120 VanDerWaalsContact O-N 3.17Å; R120-Q122 PolarHBondContact O-N 3.23Å; R120-S125 PolarHBondContact O-OG 2.85Å |
| 121 | L | 93.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 76.3 Ų | 76.3 | 2% | 0.016 | 39% | 0.393 | C | S | . | . | trans | -88.9 | 92.3 | -178.6 | -59.1 | -179 | 0 | 0 | 0 | 109.4 | I91 L99 R113 P114 G118 E119 V127 L156 P159 | I91-L121 HydrophobicContact CD1-CB 3.87Å; I91-L121 HydrophobicContact CD1-CD2 4.49Å; L99-L121 HydrophobicContact CD1-CB 4.16Å; L99-L121 HydrophobicContact CD1-CD1 3.95Å; R113-L121 PolarHBondContact NH1-O 3.39Å; P114-L121 HydrophobicContact CG-CD1 4Å; G118-L121 WeakPolarHBondContact O-CB 3.33Å; G118-L121 PolarHBondContact O-N 2.72Å; E119-L121 PolarHBondContact O-N 2.82Å; L121-V127 HydrophobicContact CD2-CG1 3.65Å; L121-L156 HydrophobicContact CD1-CD2 3.79Å; L121-P159 HydrophobicContact CD2-CB 4Å | ||
| 122 | Q | 94 | Very high | 93.2 | Very high | 101 Ų | 101 | 78.3 Ų | 78.3 | 47% | 0.472 | 40% | 0.402 | S | S | . | . | trans | -111.2 | 172 | 178.2 | -62 | -61.8 | -23.3 | 0 | 0 | 110 | E119 R120 G124 S125 | E119-Q122 PolarHBondContact O-NE2 2.78Å; R120-Q122 PolarHBondContact O-N 3.23Å; Q122-G124 PolarHBondContact O-N 3.05Å; Q122-S125 PolarHBondContact N-OG 2.95Å; Q122-S125 WeakPolarHBondContact O-CB 3.36Å; Q122-S125 PolarHBondContact O-N 3.33Å; Q122-S125 PolarHBondContact O-OG 2.61Å | ||
| 123 | R | 96.4 | Very high | 93.2 | Very high | 193 Ų | 193 | 69.9 Ų | 69.9 | 73% | 0.728 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 131 | 171.1 | -174.2 | 179.3 | -177.5 | -160.9 | -4.6 | 109.7 | F92 | F92-R123 WeakPolarHBondContact O-CD 3.38Å; F92-R123 WeakPolarHBondContact O-CG 3.36Å; F92-R123 PolarHBondContact O-NE 3.43Å |
| 124 | G | 95.1 | Very high | 93.1 | Very high | 58 Ų | 58 | 69.8 Ų | 69.8 | 60% | 0.598 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.4 | -13.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I91 Q122 | I91-G124 PolarHBondContact O-N 2.94Å; Q122-G124 PolarHBondContact O-N 3.05Å |
| 125 | S | 95.1 | Very high | 93.1 | Very high | 30 Ų | 30 | 70 Ų | 70 | 21% | 0.21 | 38% | 0.376 | C | S | . | . | trans | -64.2 | 138.2 | 176.2 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | I91 R120 Q122 | I91-S125 PolarHBondContact N-O 2.78Å; R120-S125 PolarHBondContact O-OG 2.85Å; Q122-S125 PolarHBondContact N-OG 2.95Å; Q122-S125 WeakPolarHBondContact O-CB 3.36Å; Q122-S125 PolarHBondContact O-N 3.33Å; Q122-S125 PolarHBondContact O-OG 2.61Å | ||
| 126 | R | 95.8 | Very high | 93.3 | Very high | 129 Ų | 129 | 66.3 Ų | 66.3 | 49% | 0.487 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 136 | 171.6 | -54.6 | -171.8 | 68.2 | -166 | 2.4 | 109.7 | V88 G89 N90 L160 | V88-R126 HydrophobicContact CG1-CB 4.46Å; G89-R126 CarbonylContact O-C 3.49Å; G89-R126 WeakPolarHBondContact O-CA 3.45Å; N90-R126 WeakPolarHBondContact OD1-CG 3.39Å; R126-L160 HydrophobicContact CB-CB 3.97Å; R126-L160 HydrophobicContact CB-CD2 4.04Å; R126-L160 PolarHBondContact O-N 3.46Å |
| 127 | V | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 155.3 | -173.3 | -65.6 | 0 | 0 | 0 | 0 | 111.6 | V88 G89 I91 I101 L121 L129 L156 G158 | V88-V127 WeakPolarHBondContact CA-O 3.33Å; G89-V127 PolarHBondContact N-O 3.14Å; G89-V127 PolarHBondContact O-N 3.25Å; I91-V127 HydrophobicContact CD1-CG1 3.98Å; I91-V127 HydrophobicContact CG1-CG1 4.18Å; I91-V127 HydrophobicContact CG1-CG2 4.39Å; I101-V127 HydrophobicContact CD1-CG2 4.17Å; I101-V127 HydrophobicContact CG2-CG2 3.59Å; L121-V127 HydrophobicContact CD2-CG1 3.65Å; V127-L129 HydrophobicContact CG2-CD2 4.1Å; V127-L129 HydrophobicContact CG2-CG 4.17Å; V127-L156 HydrophobicContact CB-CD1 3.72Å; V127-L156 HydrophobicContact CG1-CD1 4.04Å; V127-L156 HydrophobicContact CG2-CD1 4.04Å; V127-G158 CarbonylContact C-O 3.6Å; V127-G158 WeakPolarHBondContact CA-O 3.45Å |
| 128 | R | 95.3 | Very high | 94.3 | Very high | 63 Ų | 63 | 64.8 Ų | 64.8 | 24% | 0.238 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127.5 | 172.8 | -64.9 | -176.9 | -68.7 | -179.4 | 1.6 | 109.4 | L157 G158 L160 E164 | R128-L157 HydrophobicContact CB-CB 4.14Å; R128-L157 HydrophobicContact CB-CD1 4.5Å; R128-L157 PolarHBondContact O-N 3.41Å; R128-G158 PolarHBondContact N-O 3.08Å; R128-L160 HydrophobicContact CG-CD1 3.97Å; R128-E164 WeakPolarHBondContact CD-OE2 3.47Å; R128-E164 IonicContact CZ-OE1 3.81Å; R128-E164 IonicContact CZ-OE2 3.43Å; R128-E164 IonicContact NE-OE2 3.64Å; R128-E164 IonicContact NH1-OE1 2.79Å; R128-E164 PolarHBondContact NH1-OE1 3.16Å; R128-E164 IonicContact NH1-OE2 3.4Å; R128-E164 PolarHBondContact NH1-OE2 3.18Å |
| 129 | L | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 138.6 | -178.9 | -59 | 173.5 | 0 | 0 | 0 | 109.4 | V86 V87 I101 F103 V127 A154 V155 L156 | V86-L129 CarbonylContact C-O 3.56Å; V86-L129 VanDerWaalsContact CA-O 3.26Å; V86-L129 WeakPolarHBondContact CA-O 3.35Å; V87-L129 HydrophobicContact CG2-CB 4.08Å; V87-L129 PolarHBondContact N-O 3.49Å; V87-L129 PolarHBondContact O-N 3.44Å; I101-L129 HydrophobicContact CB-CD1 4.11Å; I101-L129 HydrophobicContact CD1-CD2 3.82Å; I101-L129 HydrophobicContact CG2-CD1 3.48Å; I101-L129 VanDerWaalsContact CG2-CD1 3.48Å; I101-L129 HydrophobicContact CG2-CD2 4.48Å; I101-L129 HydrophobicContact CG2-CG 4.37Å; F103-L129 HydrophobicContact CB-CD1 4.28Å; F103-L129 HydrophobicContact CD1-CD1 4.06Å; V127-L129 HydrophobicContact CG2-CD2 4.1Å; V127-L129 HydrophobicContact CG2-CG 4.17Å; L129-A154 HydrophobicContact CB-CB 4.43Å; L129-V155 CarbonylContact C-O 3.58Å; L129-V155 WeakPolarHBondContact CA-O 3.16Å; L129-L156 HydrophobicContact CD2-CB 4.24Å; L129-L156 HydrophobicContact CD2-CD1 3.71Å |
| 130 | K | 95.9 | Very high | 95.3 | Very high | 73 Ų | 73 | 70.8 Ų | 70.8 | 32% | 0.317 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 110.2 | 161.8 | -172.5 | -175.3 | 174.9 | -164.6 | 0 | 108.2 | D84 L132 A154 V155 L157 | D84-K130 WeakPolarHBondContact OD1-CE 3.37Å; D84-K130 IonicContact OD1-NZ 2.79Å; D84-K130 PolarHBondContact OD1-NZ 3.44Å; K130-L132 HydrophobicContact CD-CD2 4.38Å; K130-L132 PolarHBondContact O-N 3.07Å; K130-A154 CarbonylContact O-C 3.52Å; K130-A154 WeakPolarHBondContact O-CA 3.34Å; K130-A154 WeakPolarHBondContact O-CB 3.33Å; K130-V155 HydrophobicContact CB-CB 4.45Å; K130-V155 PolarHBondContact N-O 2.9Å; K130-V155 PolarHBondContact O-N 3.15Å; K130-L157 HydrophobicContact CB-CD1 4.35Å; K130-L157 HydrophobicContact CB-CD2 4.4Å; K130-L157 HydrophobicContact CB-CG 4.47Å |
| 131 | V | 94.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 123.5 | 178.4 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | D84 K85 V87 F103 | D84-V131 WeakPolarHBondContact CA-O 3.27Å; D84-V131 PolarHBondContact N-O 3.38Å; K85-V131 PolarHBondContact O-N 3.08Å; V87-V131 HydrophobicContact CG1-CG2 4.31Å; V87-V131 HydrophobicContact CG2-CG2 3.54Å; F103-V131 HydrophobicContact CD2-CG2 4.26Å; F103-V131 HydrophobicContact CE2-CG2 4.12Å; F103-V131 HydrophobicContact CZ-CG1 4.49Å; F103-V131 HydrophobicContact CZ-CG2 4.29Å |
| 132 | L | 95.7 | Very high | 95.8 | Very high | 52 Ų | 52 | 73.4 Ų | 73.4 | 27% | 0.272 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -52.6 | 175.7 | -59.5 | -178.8 | 0 | 0 | 0 | 110.1 | R83 K130 Q153 V155 | R83-L132 WeakPolarHBondContact CG-O 3.38Å; K130-L132 HydrophobicContact CD-CD2 4.38Å; K130-L132 PolarHBondContact O-N 3.07Å; L132-Q153 HydrophobicContact CB-CB 4.38Å; L132-Q153 HydrophobicContact CB-CG 4.27Å; L132-Q153 HydrophobicContact CD1-CG 4.19Å; L132-Q153 PolarHBondContact N-O 3.43Å; L132-V155 HydrophobicContact CD1-CG2 3.88Å; L132-V155 HydrophobicContact CG-CG2 4.29Å |
| 133 | D | 95 | Very high | 96 | Very high | 29 Ų | 29 | 70.5 Ų | 70.5 | 16% | 0.155 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 120.6 | 177.9 | -160.1 | -4.2 | 0 | 0 | 0 | 110.5 | R83 E135 L136 A152 Q153 | R83-D133 IonicContact NE-OD1 3.78Å; R83-D133 IonicContact NH2-OD1 3.13Å; D133-E135 PolarHBondContact O-N 2.74Å; D133-E135 PolarHBondContact OD1-N 2.69Å; D133-L136 HydrophobicContact CB-CD2 4.38Å; D133-A152 CarbonylContact O-C 3.52Å; D133-A152 WeakPolarHBondContact O-CA 3.41Å; D133-A152 WeakPolarHBondContact O-CB 3.21Å; D133-Q153 HydrophobicContact CB-CB 4.08Å; D133-Q153 PolarHBondContact N-O 3.38Å; D133-Q153 VanDerWaalsContact N-O 3.11Å; D133-Q153 PolarHBondContact O-N 2.98Å |
| 134 | P | 93.9 | Very high | 96.1 | Very high | 49 Ų | 49 | 70.9 Ų | 70.9 | 32% | 0.318 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -68.3 | -18.6 | 177.3 | 27 | -36.4 | 0 | 0 | 0 | 114.1 | ||
| 135 | E | 94.4 | Very high | 96.2 | Very high | 56 Ų | 56 | 73 Ų | 73 | 26% | 0.262 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -150.6 | 107.7 | 177.5 | 176.2 | 169.6 | -176.4 | 0 | 0 | 111 | K106 F107 D133 T137 T148 | K106-E135 IonicContact NZ-OE1 2.74Å; K106-E135 PolarHBondContact NZ-OE1 2.85Å; K106-E135 IonicContact NZ-OE2 2.69Å; K106-E135 PolarHBondContact NZ-OE2 3.41Å; F107-E135 HydrophobicContact CD2-CB 4.02Å; F107-E135 HydrophobicContact CD2-CG 3.94Å; F107-E135 HydrophobicContact CE2-CB 4.13Å; F107-E135 HydrophobicContact CE2-CG 3.61Å; F107-E135 WeakPolarHBondContact CE2-OE2 3.15Å; D133-E135 PolarHBondContact O-N 2.74Å; D133-E135 PolarHBondContact OD1-N 2.69Å; E135-T137 HydrophobicContact CG-CG2 3.75Å; E135-T137 PolarHBondContact O-N 3Å; E135-T137 PolarHBondContact O-OG1 3.08Å; E135-T148 PolarHBondContact OE1-OG1 3.42Å |
| 136 | L | 95.9 | Very high | 96.3 | Very high | 37 Ų | 37 | 75.6 Ų | 75.6 | 19% | 0.194 | 40% | 0.395 | C | S | . | . | trans | -69.1 | 106.4 | 176.8 | -77.1 | 173.2 | 0 | 0 | 0 | 111 | D133 T148 L149 E151 Q153 | D133-L136 HydrophobicContact CB-CD2 4.38Å; L136-T148 WeakPolarHBondContact O-CA 3.25Å; L136-T148 PolarHBondContact O-OG1 3.41Å; L136-L149 HydrophobicContact CB-CB 4.14Å; L136-L149 HydrophobicContact CB-CD1 4.13Å; L136-L149 HydrophobicContact CB-CG 4.39Å; L136-L149 HydrophobicContact CD1-CD1 4.03Å; L136-L149 PolarHBondContact O-N 2.99Å; L136-E151 HydrophobicContact CD1-CG 3.9Å; L136-E151 PolarHBondContact N-O 2.97Å; L136-Q153 HydrophobicContact CD1-CB 4.08Å; L136-Q153 HydrophobicContact CD2-CB 3.9Å; L136-Q153 HydrophobicContact CG-CB 4.02Å | ||
| 137 | T | 96.7 | Very high | 96.4 | Very high | 66 Ų | 66 | 72.9 Ų | 72.9 | 41% | 0.405 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 141.3 | -179.7 | 41.4 | 0 | 0 | 0 | 0 | 111.2 | E135 T147 | E135-T137 HydrophobicContact CG-CG2 3.75Å; E135-T137 PolarHBondContact O-N 3Å; E135-T137 PolarHBondContact O-OG1 3.08Å; T137-T147 WeakPolarHBondContact CA-O 3.32Å |
| 138 | A | 97.3 | Very high | 96.5 | Very high | 43 Ų | 43 | 75.2 Ų | 75.2 | 36% | 0.355 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 147.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | F140 T147 | A138-F140 HydrophobicContact CB-CE2 4.05Å; A138-F140 HydrophobicContact CB-CZ 3.95Å; A138-T147 PolarHBondContact N-O 3.47Å; A138-T147 PolarHBondContact O-N 3.02Å |
| 139 | R | 96.9 | Very high | 96.5 | Very high | 162 Ų | 162 | 77.7 Ų | 77.7 | 61% | 0.611 | 42% | 0.424 | S | S | * | . | trans | -109 | 119.3 | 170.8 | -172.3 | 175.9 | -66.7 | 178.3 | 3.5 | 109.4 | A143 D146 | R139-A143 HydrophobicContact CG-CB 4.44Å; R139-D146 IonicContact CZ-OD1 2.73Å; R139-D146 IonicContact NE-OD1 2.91Å; R139-D146 PolarHBondContact NE-OD1 3.35Å; R139-D146 IonicContact NH2-OD1 3.7Å; R139-D146 PolarHBondContact NH2-OD1 3.06Å; R139-D146 IonicContact NH2-OD2 3.64Å | ||
| 140 | F | 97.4 | Very high | 96.6 | Very high | 136 Ų | 136 | 82.5 Ų | 82.5 | 60% | 0.596 | 45% | 0.449 | S | S | * | . | trans | -93.8 | 159.1 | 176.7 | -59.7 | -77.9 | 0 | 0 | 0 | 111.2 | A138 G142 A143 | A138-F140 HydrophobicContact CB-CE2 4.05Å; A138-F140 HydrophobicContact CB-CZ 3.95Å; F140-G142 PolarHBondContact O-N 3.42Å; F140-A143 VanDerWaalsContact O-CB 3.25Å; F140-A143 WeakPolarHBondContact O-CB 3.31Å; F140-A143 PolarHBondContact O-N 3.26Å; F140-A143 VanDerWaalsContact O-N 3.08Å | ||
| 141 | L | 97.9 | Very high | 96.6 | Very high | 184 Ų | 184 | 82 Ų | 82 | 96% | 0.963 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 132.2 | 178.8 | -174.7 | 67.9 | 0 | 0 | 0 | 110.7 | A143 | L141-A143 VanDerWaalsContact C-N 3.27Å; L141-A143 PolarHBondContact O-N 3.21Å |
| 142 | G | 97.3 | Very high | 96.7 | Very high | 80 Ų | 80 | 82.2 Ų | 82.2 | 83% | 0.825 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | -8.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F140 | F140-G142 PolarHBondContact O-N 3.42Š|
| 143 | A | 97.4 | Very high | 96.8 | Very high | 40 Ų | 40 | 84 Ų | 84 | 33% | 0.331 | 46% | 0.457 | S | S | . | . | trans | -77.1 | 136.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R139 F140 L141 | R139-A143 HydrophobicContact CG-CB 4.44Å; F140-A143 VanDerWaalsContact O-CB 3.25Å; F140-A143 WeakPolarHBondContact O-CB 3.31Å; F140-A143 PolarHBondContact O-N 3.26Å; F140-A143 VanDerWaalsContact O-N 3.08Å; L141-A143 VanDerWaalsContact C-N 3.27Å; L141-A143 PolarHBondContact O-N 3.21Å | ||
| 144 | K | 97.7 | Very high | 96.8 | Very high | 201 Ų | 201 | 83.5 Ų | 83.5 | 87% | 0.874 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -82.4 | -24.4 | 174.1 | -65 | -178 | -179.4 | 178.8 | 0 | 112.7 | ||
| 145 | T | 97.8 | Very high | 97 | Very high | 103 Ų | 103 | 84.4 Ų | 84.4 | 63% | 0.632 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -136.8 | 162.5 | -175.2 | 57.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 146 | D | 98.1 | Very high | 97 | Very high | 83 Ų | 83 | 83.2 Ų | 83.2 | 44% | 0.444 | 46% | 0.456 | S | S | . | . | trans | -72.6 | 146.9 | 178.9 | -58.9 | -9.5 | 0 | 0 | 0 | 110.3 | R139 | R139-D146 IonicContact CZ-OD1 2.73Å; R139-D146 IonicContact NE-OD1 2.91Å; R139-D146 PolarHBondContact NE-OD1 3.35Å; R139-D146 IonicContact NH2-OD1 3.7Å; R139-D146 PolarHBondContact NH2-OD1 3.06Å; R139-D146 IonicContact NH2-OD2 3.64Å | ||
| 147 | T | 97.3 | Very high | 97 | Very high | 73 Ų | 73 | 86 Ų | 86 | 45% | 0.448 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.2 | 171.8 | -55.6 | 0 | 0 | 0 | 0 | 108.1 | T137 A138 | T137-T147 WeakPolarHBondContact CA-O 3.32Å; A138-T147 PolarHBondContact N-O 3.47Å; A138-T147 PolarHBondContact O-N 3.02Å |
| 148 | T | 97.3 | Very high | 96.8 | Very high | 48 Ų | 48 | 83.3 Ų | 83.3 | 29% | 0.294 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 141.1 | -180 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | E135 L136 L150 | E135-T148 PolarHBondContact OE1-OG1 3.42Å; L136-T148 WeakPolarHBondContact O-CA 3.25Å; L136-T148 PolarHBondContact O-OG1 3.41Å; T148-L150 VanDerWaalsContact C-N 3.27Å; T148-L150 HydrophobicContact CG2-CD2 3.44Å; T148-L150 VanDerWaalsContact CG2-CD2 3.44Å; T148-L150 HydrophobicContact CG2-CG 4.11Å; T148-L150 PolarHBondContact OG1-N 2.9Å |
| 149 | L | 96.9 | Very high | 96.6 | Very high | 115 Ų | 115 | 84.3 Ų | 84.3 | 60% | 0.602 | 46% | 0.459 | S | S | * | . | trans | -82.8 | -6.1 | 173.2 | -65.2 | 178.6 | 0 | 0 | 0 | 112.7 | L136 E151 | L136-L149 HydrophobicContact CB-CB 4.14Å; L136-L149 HydrophobicContact CB-CD1 4.13Å; L136-L149 HydrophobicContact CB-CG 4.39Å; L136-L149 HydrophobicContact CD1-CD1 4.03Å; L136-L149 PolarHBondContact O-N 2.99Å; L149-E151 HydrophobicContact CB-CG 3.84Å; L149-E151 PolarHBondContact O-N 3.28Å | ||
| 150 | L | 96.9 | Very high | 96.4 | Very high | 102 Ų | 102 | 78.2 Ų | 78.2 | 53% | 0.534 | 44% | 0.439 | S | S | . | . | S | Bend | trans | 58.4 | 29.3 | -176.9 | -51.9 | 175.9 | 0 | 0 | 0 | 113.4 | F107 T148 | F107-L150 VanDerWaalsContact CD1-C 3.43Å; F107-L150 HydrophobicContact CD1-CB 4.13Å; F107-L150 WeakPolarHBondContact CD1-O 3.33Å; F107-L150 HydrophobicContact CE1-CB 3.81Å; F107-L150 HydrophobicContact CE1-CD2 3.61Å; F107-L150 HydrophobicContact CE1-CG 4.33Å; F107-L150 HydrophobicContact CZ-CD2 3.69Å; T148-L150 VanDerWaalsContact C-N 3.27Å; T148-L150 HydrophobicContact CG2-CD2 3.44Å; T148-L150 VanDerWaalsContact CG2-CD2 3.44Å; T148-L150 HydrophobicContact CG2-CG 4.11Å; T148-L150 PolarHBondContact OG1-N 2.9Å |
| 151 | E | 96.7 | Very high | 95.8 | Very high | 63 Ų | 63 | 77.1 Ų | 77.1 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | trans | -139.3 | 153.3 | 175.9 | 64.6 | -176.9 | -171.1 | 0 | 0 | 110.6 | H108 L136 L149 | H108-E151 WeakPolarHBondContact O-CA 3.45Å; L136-E151 HydrophobicContact CD1-CG 3.9Å; L136-E151 PolarHBondContact N-O 2.97Å; L149-E151 HydrophobicContact CB-CG 3.84Å; L149-E151 PolarHBondContact O-N 3.28Å | ||
| 152 | A | 96.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 76 Ų | 76 | 3% | 0.033 | 43% | 0.425 | C | S | . | . | B | Isolated β-bridge | trans | -91.9 | 149.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | F103 F107 H108 C109 D133 | F103-A152 HydrophobicContact CE1-CB 3.84Å; F103-A152 HydrophobicContact CZ-CB 3.63Å; F107-A152 HydrophobicContact CB-CB 4.49Å; H108-A152 PolarHBondContact O-N 3.06Å; C109-A152 WeakPolarHBondContact CA-O 3.35Å; C109-A152 HydrophobicContact CB-CB 4.22Å; C109-A152 WeakPolarHBondContact CB-O 3.49Å; D133-A152 CarbonylContact O-C 3.52Å; D133-A152 WeakPolarHBondContact O-CA 3.41Å; D133-A152 WeakPolarHBondContact O-CB 3.21Å |
| 153 | Q | 96.6 | Very high | 93 | Very high | 91 Ų | 91 | 82.6 Ų | 82.6 | 43% | 0.425 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 123.9 | 172.1 | -166.5 | 179.4 | 15.3 | 0 | 0 | 110.3 | L132 D133 L136 | L132-Q153 HydrophobicContact CB-CB 4.38Å; L132-Q153 HydrophobicContact CB-CG 4.27Å; L132-Q153 HydrophobicContact CD1-CG 4.19Å; L132-Q153 PolarHBondContact N-O 3.43Å; D133-Q153 HydrophobicContact CB-CB 4.08Å; D133-Q153 PolarHBondContact N-O 3.38Å; D133-Q153 VanDerWaalsContact N-O 3.11Å; D133-Q153 PolarHBondContact O-N 2.98Å; L136-Q153 HydrophobicContact CD1-CB 4.08Å; L136-Q153 HydrophobicContact CD2-CB 3.9Å; L136-Q153 HydrophobicContact CG-CB 4.02Å |
| 154 | A | 96.8 | Very high | 91.2 | Very high | 17 Ų | 17 | 84.9 Ų | 84.9 | 14% | 0.14 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 159.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C109 L129 K130 | C109-A154 HydrophobicContact CB-CB 3.96Å; L129-A154 HydrophobicContact CB-CB 4.43Å; K130-A154 CarbonylContact O-C 3.52Å; K130-A154 WeakPolarHBondContact O-CA 3.34Å; K130-A154 WeakPolarHBondContact O-CB 3.33Å |
| 155 | V | 96.6 | Very high | 89.3 | Confident | 68 Ų | 68 | 77.5 Ų | 77.5 | 41% | 0.412 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125.4 | 173.6 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | L129 K130 L132 L157 | L129-V155 CarbonylContact C-O 3.58Å; L129-V155 WeakPolarHBondContact CA-O 3.16Å; K130-V155 HydrophobicContact CB-CB 4.45Å; K130-V155 PolarHBondContact N-O 2.9Å; K130-V155 PolarHBondContact O-N 3.15Å; L132-V155 HydrophobicContact CD1-CG2 3.88Å; L132-V155 HydrophobicContact CG-CG2 4.29Å; V155-L157 HydrophobicContact CG1-CD2 4.45Å; V155-L157 PolarHBondContact O-N 3.44Å |
| 156 | L | 95.9 | Very high | 87.2 | Confident | 32 Ų | 32 | 78 Ų | 78 | 17% | 0.168 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 113.7 | 174.9 | 179.1 | 64 | 0 | 0 | 0 | 110.3 | L99 I101 C111 P114 L121 V127 L129 | L99-L156 HydrophobicContact CD1-CD2 3.97Å; I101-L156 HydrophobicContact CD1-CD1 4.29Å; C111-L156 HydrophobicContact CB-CB 3.98Å; C111-L156 HydrophobicContact CB-CD2 4.43Å; P114-L156 HydrophobicContact CG-CD2 4.36Å; L121-L156 HydrophobicContact CD1-CD2 3.79Å; V127-L156 HydrophobicContact CB-CD1 3.72Å; V127-L156 HydrophobicContact CG1-CD1 4.04Å; V127-L156 HydrophobicContact CG2-CD1 4.04Å; L129-L156 HydrophobicContact CD2-CB 4.24Å; L129-L156 HydrophobicContact CD2-CD1 3.71Å |
| 157 | L | 94.4 | Very high | 85 | Confident | 95 Ų | 95 | 76.1 Ų | 76.1 | 50% | 0.497 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -33.4 | 179.6 | -57.4 | 179 | 0 | 0 | 0 | 111.9 | V86 R128 K130 V155 | V86-L157 HydrophobicContact CG1-CD1 3.95Å; V86-L157 HydrophobicContact CG2-CD1 4.05Å; R128-L157 HydrophobicContact CB-CB 4.14Å; R128-L157 HydrophobicContact CB-CD1 4.5Å; R128-L157 PolarHBondContact O-N 3.41Å; K130-L157 HydrophobicContact CB-CD1 4.35Å; K130-L157 HydrophobicContact CB-CD2 4.4Å; K130-L157 HydrophobicContact CB-CG 4.47Å; V155-L157 HydrophobicContact CG1-CD2 4.45Å; V155-L157 PolarHBondContact O-N 3.44Å |
| 158 | G | 93 | Very high | 82.8 | Confident | 10 Ų | 10 | 82.5 Ų | 82.5 | 10% | 0.103 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153 | -178.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V127 R128 | V127-G158 CarbonylContact C-O 3.6Å; V127-G158 WeakPolarHBondContact CA-O 3.45Å; R128-G158 PolarHBondContact N-O 3.08Å |
| 159 | P | 93.5 | Very high | 80.6 | Confident | 63 Ų | 63 | 85 Ų | 85 | 41% | 0.409 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 153 | 172.3 | 27.4 | -33.2 | 0 | 0 | 0 | 111.3 | L121 | L121-P159 HydrophobicContact CD2-CB 4Å |
| 160 | L | 91.4 | Very high | 78.1 | Confident | 35 Ų | 35 | 86.5 Ų | 86.5 | 18% | 0.183 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 122.3 | 170.3 | -175.5 | 70.9 | 0 | 0 | 0 | 109.1 | V88 R126 R128 E164 A165 | V88-L160 HydrophobicContact CG1-CD2 3.96Å; V88-L160 HydrophobicContact CG2-CD1 4.09Å; R126-L160 HydrophobicContact CB-CB 3.97Å; R126-L160 HydrophobicContact CB-CD2 4.04Å; R126-L160 PolarHBondContact O-N 3.46Å; R128-L160 HydrophobicContact CG-CD1 3.97Å; L160-E164 HydrophobicContact CD1-CB 4.43Å; L160-A165 HydrophobicContact CD2-CB 4.47Å |
| 161 | E | 84.9 | Confident | 75.5 | Confident | 112 Ų | 112 | 90.7 Ų | 90.7 | 52% | 0.523 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 138.2 | 174.3 | -65 | -176.8 | -178.5 | 0 | 0 | 110.5 | R163 E164 A165 | E161-R163 PolarHBondContact O-N 3.33Å; E161-R163 VanDerWaalsContact O-N 3.17Å; E161-E164 HydrophobicContact CB-CG 4.49Å; E161-E164 PolarHBondContact O-N 3.49Å; E161-A165 PolarHBondContact O-N 3.34Å |
| 162 | E | 71.9 | Confident | 73 | Confident | 162 Ų | 162 | 96 Ų | 96 | 76% | 0.757 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -58.7 | -30 | -179.4 | -73.6 | -177 | 160.7 | 0 | 0 | 113.1 | E164 A165 Q166 | E162-E164 VanDerWaalsContact C-N 3.28Å; E162-E164 PolarHBondContact O-N 3.01Å; E162-A165 WeakPolarHBondContact O-CB 3.42Å; E162-A165 PolarHBondContact O-N 3Å; E162-Q166 PolarHBondContact O-N 2.98Å |
| 163 | R | 65.2 | Low | 70.3 | Confident | 218 Ų | 218 | 105.9 Ų | 105.9 | 82% | 0.823 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.7 | -36.4 | 174.9 | -83 | -174.1 | 169.8 | -174.9 | -2.5 | 112.8 | E161 G167 | E161-R163 PolarHBondContact O-N 3.33Å; E161-R163 VanDerWaalsContact O-N 3.17Å; R163-G167 PolarHBondContact O-N 2.92Å |
| 164 | E | 59.5 | Low | 69 | Low | 88 Ų | 88 | 106.6 Ų | 106.6 | 41% | 0.411 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -77.1 | -27.1 | 178.7 | -62.5 | -174.6 | 162.6 | 0 | 0 | 111.9 | R128 L160 E161 E162 Q166 | R128-E164 WeakPolarHBondContact CD-OE2 3.47Å; R128-E164 IonicContact CZ-OE1 3.81Å; R128-E164 IonicContact CZ-OE2 3.43Å; R128-E164 IonicContact NE-OE2 3.64Å; R128-E164 IonicContact NH1-OE1 2.79Å; R128-E164 PolarHBondContact NH1-OE1 3.16Å; R128-E164 IonicContact NH1-OE2 3.4Å; R128-E164 PolarHBondContact NH1-OE2 3.18Å; L160-E164 HydrophobicContact CD1-CB 4.43Å; E161-E164 HydrophobicContact CB-CG 4.49Å; E161-E164 PolarHBondContact O-N 3.49Å; E162-E164 VanDerWaalsContact C-N 3.28Å; E162-E164 PolarHBondContact O-N 3.01Å; E164-Q166 VanDerWaalsContact C-N 3.34Å |
| 165 | A | 57.6 | Low | 67.5 | Low | 45 Ų | 45 | 111.3 Ų | 111.3 | 37% | 0.372 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68 | -34.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L160 E161 E162 | L160-A165 HydrophobicContact CD2-CB 4.47Å; E161-A165 PolarHBondContact O-N 3.34Å; E162-A165 WeakPolarHBondContact O-CB 3.42Å; E162-A165 PolarHBondContact O-N 3Å |
| 166 | Q | 55 | Low | 65.9 | Low | 114 Ų | 114 | 113.7 Ų | 113.7 | 53% | 0.533 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -81.9 | -30.4 | -179.5 | -68.1 | 174.4 | -9 | 0 | 0 | 113.4 | E162 E164 R168 V169 Q170 | E162-Q166 PolarHBondContact O-N 2.98Å; E164-Q166 VanDerWaalsContact C-N 3.34Å; Q166-R168 PolarHBondContact O-N 3.32Å; Q166-R168 VanDerWaalsContact O-N 3.15Å; Q166-V169 PolarHBondContact O-N 3.48Å; Q166-Q170 PolarHBondContact O-N 3.44Å |
| 167 | G | 50.7 | Low | 64.1 | Low | 44 Ų | 44 | 118.5 Ų | 118.5 | 45% | 0.454 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.9 | -16.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R163 | R163-G167 PolarHBondContact O-N 2.92Š|
| 168 | R | 52.2 | Low | 62.2 | Low | 207 Ų | 207 | 120 Ų | 120 | 78% | 0.781 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -24.2 | 170.6 | -81.4 | -171.6 | -178.9 | 174.8 | 1.7 | 113.8 | Q166 | Q166-R168 PolarHBondContact O-N 3.32Å; Q166-R168 VanDerWaalsContact O-N 3.15Å |
| 169 | V | 50.7 | Low | 60.2 | Low | 99 Ų | 99 | 127.3 Ų | 127.3 | 60% | 0.6 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -38 | -179.5 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | Q166 K171 | Q166-V169 PolarHBondContact O-N 3.48Å; V169-K171 VanDerWaalsContact C-N 3.31Å; V169-K171 PolarHBondContact O-N 2.91Å |
| 170 | Q | 42.9 | Very low | 57.8 | Low | 147 Ų | 147 | 131.9 Ų | 131.9 | 69% | 0.687 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -2.7 | -176.6 | -65.9 | 177.8 | 18 | 0 | 0 | 115.2 | Q166 | Q166-Q170 PolarHBondContact O-N 3.44Š|
| 171 | K | 43.9 | Very low | 55.2 | Low | 191 Ų | 191 | 139.4 Ų | 139.4 | 83% | 0.83 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 8 | -178.1 | -133.4 | -178.1 | -174.5 | -174.7 | 0 | 113.4 | V169 | V169-K171 VanDerWaalsContact C-N 3.31Å; V169-K171 PolarHBondContact O-N 2.91Å |
| 172 | Q | 43.6 | Very low | 52.7 | Low | 175 Ų | 175 | 141.7 Ų | 141.7 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | trans | -114.4 | 3.2 | 179.3 | -85.1 | -176.7 | -30.3 | 0 | 0 | 113.7 | ||||
| 173 | D | 39.8 | Very low | 51 | Low | 210 Ų | 210 | 139.8 Ų | 139.8 | 100% | 1.123 | 68% | 0.676 | S | S | * | * | trans | -103.8 | 0 | 173.1 | -63.3 | -40.4 | 0 | 0 | 0 | 111.6 |
Retrieved 173 of 173 residues in 197.1 ms
(Link to these results)