| 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 | 37.2 | Very low | 50.6 | Low | 246 Ų | 246 | 140.6 Ų | 140.6 | 100% | 1.212 | 75% | 0.75 | S | S | * | * | 0 | 117.4 | 0 | -98.3 | 161.4 | 130.1 | 0 | 0 | 106.8 | S3 | M1-S3 PolarHBondContact O-N 3.34Š| |||
| 2 | K | 35.1 | Very low | 53.7 | Low | 211 Ų | 211 | 137.1 Ų | 137.1 | 92% | 0.917 | 73% | 0.731 | S | S | * | * | trans | -64.8 | 129.3 | -172.5 | -78.1 | -178.7 | 171.6 | -175.2 | 0 | 110 | G4 | K2-G4 PolarHBondContact O-N 3.27Š| ||
| 3 | S | 39.4 | Very low | 56.6 | Low | 106 Ų | 106 | 128.3 Ų | 128.3 | 74% | 0.741 | 68% | 0.684 | S | S | * | * | trans | -46.8 | 120.6 | 160.3 | 45.8 | 0 | 0 | 0 | 0 | 109.4 | M1 E5 | M1-S3 PolarHBondContact O-N 3.34Å; S3-E5 PolarHBondContact O-N 3.28Å | ||
| 4 | G | 37.8 | Very low | 58.9 | Low | 74 Ų | 74 | 119.9 Ų | 119.9 | 76% | 0.763 | 64% | 0.639 | S | S | * | * | trans | -65.1 | 115.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | K2 E6 | K2-G4 PolarHBondContact O-N 3.27Å; G4-E6 PolarHBondContact O-N 3.05Å | ||
| 5 | E | 39.3 | Very low | 61 | Low | 171 Ų | 171 | 116.1 Ų | 116.1 | 80% | 0.799 | 63% | 0.626 | S | S | * | * | trans | -60.9 | 111.5 | 167.5 | -71.5 | 167.8 | 156.2 | 0 | 0 | 107.3 | S3 T7 | S3-E5 PolarHBondContact O-N 3.28Å; E5-T7 VanDerWaalsContact C-N 3.25Å; E5-T7 HydrophobicContact CB-CG2 4.46Å; E5-T7 PolarHBondContact O-N 3.24Å | ||
| 6 | E | 45.9 | Very low | 62.9 | Low | 184 Ų | 184 | 110.1 Ų | 110.1 | 86% | 0.86 | 59% | 0.594 | S | S | * | * | trans | -63.2 | 96 | 157.8 | -85.5 | 175.2 | 158.7 | 0 | 0 | 106.2 | G4 D8 | G4-E6 PolarHBondContact O-N 3.05Å; E6-D8 VanDerWaalsContact C-N 3.27Å; E6-D8 PolarHBondContact O-N 3.34Å | ||
| 7 | T | 46.8 | Very low | 64.7 | Low | 97 Ų | 97 | 107.9 Ų | 107.9 | 60% | 0.595 | 59% | 0.587 | S | S | * | * | trans | -76.3 | 87.3 | 169.7 | 42.3 | 0 | 0 | 0 | 0 | 107.7 | E5 Y9 | E5-T7 VanDerWaalsContact C-N 3.25Å; E5-T7 HydrophobicContact CB-CG2 4.46Å; E5-T7 PolarHBondContact O-N 3.24Å; T7-Y9 PolarHBondContact O-N 2.84Å | ||
| 8 | D | 58.5 | Low | 66.1 | Low | 134 Ų | 134 | 105.1 Ų | 105.1 | 72% | 0.717 | 57% | 0.571 | S | S | * | * | trans | -54.2 | 111.1 | 165.4 | -86.6 | -19.3 | 0 | 0 | 0 | 107.9 | E6 E10 | E6-D8 VanDerWaalsContact C-N 3.27Å; E6-D8 PolarHBondContact O-N 3.34Å; D8-E10 PolarHBondContact O-N 2.94Å; D8-E10 VanDerWaalsContact O-N 3.17Å | ||
| 9 | Y | 68.3 | Low | 67.4 | Low | 91 Ų | 91 | 105.7 Ų | 105.7 | 36% | 0.357 | 57% | 0.573 | S | S | . | * | trans | -71.4 | 109.4 | 175.2 | 176.1 | -101 | 0 | 0 | 0 | 108.4 | T7 G11 L13 L16 F22 | T7-Y9 PolarHBondContact O-N 2.84Å; Y9-G11 WeakPolarHBondContact CD1-O 3.26Å; Y9-G11 WeakPolarHBondContact CE1-O 3.4Å; Y9-G11 PolarHBondContact O-N 2.81Å; Y9-L13 HydrophobicContact CD1-CD2 3.88Å; Y9-L16 HydrophobicContact CD1-CD1 3.96Å; Y9-L16 HydrophobicContact CE1-CD1 3.71Å; Y9-L16 HydrophobicContact CE1-CD2 4.14Å; Y9-L16 HydrophobicContact CE1-CG 4.07Å; Y9-F22 HydrophobicContact CD2-CD1 4.49Å; Y9-F22 HydrophobicContact CD2-CD2 4.08Å; Y9-F22 HydrophobicContact CD2-CE1 4.39Å; Y9-F22 AromaticContact CD2-CE2 3.98Å; Y9-F22 HydrophobicContact CD2-CE2 3.98Å; Y9-F22 HydrophobicContact CD2-CG 4.33Å; Y9-F22 HydrophobicContact CD2-CZ 4.14Å; Y9-F22 HydrophobicContact CG-CD1 4.28Å; Y9-F22 HydrophobicContact CG-CD2 4.33Å; Y9-F22 HydrophobicContact CG-CG 4.15Å | ||
| 10 | E | 68.4 | Low | 68.7 | Low | 198 Ų | 198 | 101.5 Ų | 101.5 | 93% | 0.925 | 55% | 0.552 | S | S | * | * | trans | -74.5 | 0.1 | -178.6 | -66.1 | -172.7 | 158.7 | 0 | 0 | 114.2 | D8 | D8-E10 PolarHBondContact O-N 2.94Å; D8-E10 VanDerWaalsContact O-N 3.17Å | ||
| 11 | G | 79.7 | Confident | 69.9 | Low | 35 Ų | 35 | 102.5 Ų | 102.5 | 36% | 0.361 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -90.1 | 173.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y9 L13 | Y9-G11 WeakPolarHBondContact CD1-O 3.26Å; Y9-G11 WeakPolarHBondContact CE1-O 3.4Å; Y9-G11 PolarHBondContact O-N 2.81Å; G11-L13 PolarHBondContact O-N 2.81Å; G11-L13 VanDerWaalsContact O-N 3.15Å |
| 12 | D | 88.3 | Confident | 72.5 | Confident | 98 Ų | 98 | 94.6 Ų | 94.6 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | trans | -70 | 109.2 | 176.8 | -179.6 | 14.1 | 0 | 0 | 0 | 111.4 | N14 S15 | D12-N14 PolarHBondContact O-N 3.49Å; D12-N14 VanDerWaalsContact OD1-CB 3.28Å; D12-N14 WeakPolarHBondContact OD1-CB 3.37Å; D12-N14 PolarHBondContact OD1-N 3.31Å; D12-N14 PolarHBondContact OD1-ND2 3.22Å; D12-S15 PolarHBondContact O-N 3.31Å; D12-S15 VanDerWaalsContact O-N 3.11Å; D12-S15 PolarHBondContact O-OG 2.97Å | ||
| 13 | L | 90.6 | Very high | 75.4 | Confident | 23 Ų | 23 | 84.5 Ų | 84.5 | 12% | 0.12 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -59.2 | -27.6 | 176.6 | -69.2 | 171.4 | 0 | 0 | 0 | 112.6 | Y9 G11 S15 L16 F22 Y26 F61 | Y9-L13 HydrophobicContact CD1-CD2 3.88Å; G11-L13 PolarHBondContact O-N 2.81Å; G11-L13 VanDerWaalsContact O-N 3.15Å; L13-S15 PolarHBondContact O-N 3.18Å; L13-L16 HydrophobicContact CD2-CD1 3.88Å; L13-L16 PolarHBondContact O-N 2.88Å; L13-F22 HydrophobicContact CD2-CB 4.14Å; L13-Y26 HydrophobicContact CD1-CD2 4.25Å; L13-Y26 HydrophobicContact CD1-CE1 4.22Å; L13-Y26 HydrophobicContact CD1-CE2 3.57Å; L13-Y26 HydrophobicContact CD2-CE2 4.39Å; L13-F61 HydrophobicContact CB-CB 4.24Å; L13-F61 HydrophobicContact CB-CD1 4.11Å; L13-F61 HydrophobicContact CB-CD2 3.54Å; L13-F61 HydrophobicContact CB-CE1 4.37Å; L13-F61 HydrophobicContact CB-CE2 3.86Å; L13-F61 HydrophobicContact CB-CG 3.68Å; L13-F61 HydrophobicContact CB-CZ 4.25Å; L13-F61 HydrophobicContact CD1-CB 3.68Å; L13-F61 HydrophobicContact CD1-CD1 4.13Å; L13-F61 HydrophobicContact CD1-CG 3.87Å; L13-F61 HydrophobicContact CG-CG 4.43Å; L13-F61 WeakPolarHBondContact O-CE2 3.38Å |
| 14 | N | 89.3 | Confident | 78 | Confident | 10 Ų | 10 | 84.1 Ų | 84.1 | 5% | 0.053 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -62.7 | -32.3 | 177.2 | -72.2 | -76.4 | 0 | 0 | 0 | 112.5 | D12 L16 R57 D60 R151 | D12-N14 PolarHBondContact O-N 3.49Å; D12-N14 VanDerWaalsContact OD1-CB 3.28Å; D12-N14 WeakPolarHBondContact OD1-CB 3.37Å; D12-N14 PolarHBondContact OD1-N 3.31Å; D12-N14 PolarHBondContact OD1-ND2 3.22Å; N14-L16 VanDerWaalsContact C-N 3.25Å; N14-L16 PolarHBondContact O-N 3.01Å; N14-R57 VanDerWaalsContact OD1-CA 3.32Å; N14-R57 WeakPolarHBondContact OD1-CA 3.47Å; N14-R57 PolarHBondContact OD1-O 3.41Å; N14-D60 PolarHBondContact ND2-OD1 3.04Å; N14-D60 VanDerWaalsContact ND2-OD1 3.07Å; N14-R151 HydrophobicContact CB-CG 4.47Å; N14-R151 WeakPolarHBondContact O-CD 3.38Å; N14-R151 WeakPolarHBondContact O-CG 3.3Å; N14-R151 PolarHBondContact O-NE 3.44Å |
| 15 | S | 89.7 | Confident | 80.8 | Confident | 64 Ų | 64 | 84 Ų | 84 | 45% | 0.448 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -78.2 | -10.5 | -177.4 | 73.2 | 0 | 0 | 0 | 0 | 113.3 | D12 L13 R151 | D12-S15 PolarHBondContact O-N 3.31Å; D12-S15 VanDerWaalsContact O-N 3.11Å; D12-S15 PolarHBondContact O-OG 2.97Å; L13-S15 PolarHBondContact O-N 3.18Å; S15-R151 PolarHBondContact O-NH2 2.94Å |
| 16 | L | 92.6 | Very high | 83.5 | Confident | 20 Ų | 20 | 79.3 Ų | 79.3 | 11% | 0.105 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -78.4 | 151.6 | -177.8 | -62.7 | -178.6 | 0 | 0 | 0 | 112.7 | Y9 L13 N14 F22 V23 R57 R151 | Y9-L16 HydrophobicContact CD1-CD1 3.96Å; Y9-L16 HydrophobicContact CE1-CD1 3.71Å; Y9-L16 HydrophobicContact CE1-CD2 4.14Å; Y9-L16 HydrophobicContact CE1-CG 4.07Å; L13-L16 HydrophobicContact CD2-CD1 3.88Å; L13-L16 PolarHBondContact O-N 2.88Å; N14-L16 VanDerWaalsContact C-N 3.25Å; N14-L16 PolarHBondContact O-N 3.01Å; L16-F22 HydrophobicContact CD1-CB 3.78Å; L16-F22 HydrophobicContact CD1-CD2 4.22Å; L16-F22 HydrophobicContact CD1-CG 4.39Å; L16-V23 HydrophobicContact CB-CG2 3.95Å; L16-V23 HydrophobicContact CD1-CG2 4.39Å; L16-R57 PolarHBondContact O-NH2 2.85Å; L16-R57 VanDerWaalsContact O-NH2 3.08Å; L16-R151 PolarHBondContact O-NH2 3.35Å |
| 17 | P | 92.5 | Very high | 85.9 | Confident | 73 Ų | 73 | 70.7 Ų | 70.7 | 47% | 0.474 | 38% | 0.379 | S | S | . | . | trans | -60.6 | 150.3 | 166.8 | -22.7 | 34.6 | 0 | 0 | 0 | 112.5 | D19 S20 | P17-D19 VanDerWaalsContact CB-OD1 3.28Å; P17-D19 WeakPolarHBondContact CB-OD1 3.43Å; P17-D19 PolarHBondContact O-N 3.4Å; P17-S20 WeakPolarHBondContact O-CB 3.35Å; P17-S20 PolarHBondContact O-N 3.31Å; P17-S20 VanDerWaalsContact O-N 3.11Å | ||
| 18 | D | 91 | Very high | 88.2 | Confident | 56 Ų | 56 | 70.3 Ų | 70.3 | 30% | 0.299 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -33 | -177.8 | -62.3 | 23.7 | 0 | 0 | 0 | 112.7 | S20 V23 I53 R57 | D18-S20 VanDerWaalsContact C-N 3.33Å; D18-V23 WeakPolarHBondContact O-CG1 3.45Å; D18-I53 HydrophobicContact CB-CD1 3.71Å; D18-R57 IonicContact OD1-CZ 3.82Å; D18-R57 IonicContact OD1-NH1 3.21Å; D18-R57 PolarHBondContact OD1-NH1 3.49Å; D18-R57 IonicContact OD1-NH2 2.6Å; D18-R57 PolarHBondContact OD1-NH2 3.47Å; D18-R57 IonicContact OD2-NH1 2.81Å |
| 19 | D | 89.8 | Confident | 89.9 | Confident | 117 Ų | 117 | 67.8 Ų | 67.8 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 2.5 | -178.2 | 68.7 | -26.1 | 0 | 0 | 0 | 114 | P17 K24 | P17-D19 VanDerWaalsContact CB-OD1 3.28Å; P17-D19 WeakPolarHBondContact CB-OD1 3.43Å; P17-D19 PolarHBondContact O-N 3.4Å; D19-K24 WeakPolarHBondContact O-CE 3.28Å; D19-K24 PolarHBondContact O-NZ 3.32Å |
| 20 | S | 93.3 | Very high | 91.2 | Very high | 21 Ų | 21 | 63.5 Ų | 63.5 | 15% | 0.147 | 34% | 0.339 | C | S | . | . | trans | -56.7 | 138.9 | 176.7 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | P17 D18 F22 V23 K24 | P17-S20 WeakPolarHBondContact O-CB 3.35Å; P17-S20 PolarHBondContact O-N 3.31Å; P17-S20 VanDerWaalsContact O-N 3.11Å; D18-S20 VanDerWaalsContact C-N 3.33Å; S20-F22 PolarHBondContact O-N 2.87Å; S20-F22 VanDerWaalsContact O-N 3.15Å; S20-F22 PolarHBondContact OG-N 3.05Å; S20-V23 PolarHBondContact O-N 3.31Å; S20-K24 PolarHBondContact O-N 3.47Å; S20-K24 VanDerWaalsContact O-N 3.15Å | ||
| 21 | N | 93.4 | Very high | 92.4 | Very high | 123 Ų | 123 | 56.5 Ų | 56.5 | 66% | 0.658 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -18.6 | 175.7 | -67.1 | -25.9 | 0 | 0 | 0 | 112.9 | K24 P25 | N21-K24 PolarHBondContact OD1-NZ 3.18Å; N21-P25 WeakPolarHBondContact O-CD 3.11Å |
| 22 | F | 93.7 | Very high | 93 | Very high | 80 Ų | 80 | 59.2 Ų | 59.2 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -21.5 | 173.1 | -58.4 | -69.4 | 0 | 0 | 0 | 113.2 | Y9 L13 L16 S20 Y26 | Y9-F22 HydrophobicContact CD2-CD1 4.49Å; Y9-F22 HydrophobicContact CD2-CD2 4.08Å; Y9-F22 HydrophobicContact CD2-CE1 4.39Å; Y9-F22 AromaticContact CD2-CE2 3.98Å; Y9-F22 HydrophobicContact CD2-CE2 3.98Å; Y9-F22 HydrophobicContact CD2-CG 4.33Å; Y9-F22 HydrophobicContact CD2-CZ 4.14Å; Y9-F22 HydrophobicContact CG-CD1 4.28Å; Y9-F22 HydrophobicContact CG-CD2 4.33Å; Y9-F22 HydrophobicContact CG-CG 4.15Å; L13-F22 HydrophobicContact CD2-CB 4.14Å; L16-F22 HydrophobicContact CD1-CB 3.78Å; L16-F22 HydrophobicContact CD1-CD2 4.22Å; L16-F22 HydrophobicContact CD1-CG 4.39Å; S20-F22 PolarHBondContact O-N 2.87Å; S20-F22 VanDerWaalsContact O-N 3.15Å; S20-F22 PolarHBondContact OG-N 3.05Å; F22-Y26 VanDerWaalsContact O-CD2 3.31Å; F22-Y26 WeakPolarHBondContact O-CD2 3.48Å; F22-Y26 WeakPolarHBondContact O-CE2 3.34Å |
| 23 | V | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -38.1 | 179.8 | 166.4 | 0 | 0 | 0 | 0 | 111.6 | L16 D18 S20 P25 Y26 L27 I53 F61 | L16-V23 HydrophobicContact CB-CG2 3.95Å; L16-V23 HydrophobicContact CD1-CG2 4.39Å; D18-V23 WeakPolarHBondContact O-CG1 3.45Å; S20-V23 PolarHBondContact O-N 3.31Å; V23-P25 VanDerWaalsContact C-CD 3.44Å; V23-Y26 PolarHBondContact O-N 3.28Å; V23-Y26 VanDerWaalsContact O-N 3.12Å; V23-L27 HydrophobicContact CG1-CD1 3.82Å; V23-L27 HydrophobicContact CG1-CG 4.25Å; V23-L27 PolarHBondContact O-N 2.98Å; V23-I53 HydrophobicContact CG1-CD1 3.89Å; V23-F61 HydrophobicContact CB-CE1 4.44Å; V23-F61 HydrophobicContact CG1-CE1 4.05Å; V23-F61 HydrophobicContact CG1-CZ 4.46Å; V23-F61 HydrophobicContact CG2-CE1 4.06Å; V23-F61 HydrophobicContact CG2-CZ 4.16Å |
| 24 | K | 94.4 | Very high | 93.2 | Very high | 98 Ų | 98 | 57.6 Ų | 57.6 | 43% | 0.426 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -51.5 | -41.9 | -177.9 | -73.3 | 172.3 | -176.4 | 155 | 0 | 114.9 | D19 S20 N21 Y26 L27 L28 | D19-K24 WeakPolarHBondContact O-CE 3.28Å; D19-K24 PolarHBondContact O-NZ 3.32Å; S20-K24 PolarHBondContact O-N 3.47Å; S20-K24 VanDerWaalsContact O-N 3.15Å; N21-K24 PolarHBondContact OD1-NZ 3.18Å; K24-Y26 VanDerWaalsContact C-N 3.33Å; K24-Y26 PolarHBondContact O-N 3.14Å; K24-L27 PolarHBondContact O-N 2.96Å; K24-L28 WeakPolarHBondContact O-CB 3.33Å; K24-L28 PolarHBondContact O-N 3.15Å |
| 25 | P | 96.1 | Very high | 93.1 | Very high | 72 Ų | 72 | 61.9 Ų | 61.9 | 47% | 0.468 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 178.5 | -25.7 | 35.9 | 0 | 0 | 0 | 112.7 | N21 V23 L28 E29 | N21-P25 WeakPolarHBondContact O-CD 3.11Å; V23-P25 VanDerWaalsContact C-CD 3.44Å; P25-L28 PolarHBondContact O-N 3.41Å; P25-E29 WeakPolarHBondContact O-CB 3.39Å; P25-E29 PolarHBondContact O-N 3.05Å |
| 26 | Y | 97.1 | Very high | 92.8 | Very high | 72 Ų | 72 | 66.7 Ų | 66.7 | 28% | 0.282 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.1 | -38.1 | 179.3 | -66.2 | -92 | 0 | 0 | 0 | 112.6 | L13 F22 V23 K24 L30 F61 V63 | L13-Y26 HydrophobicContact CD1-CD2 4.25Å; L13-Y26 HydrophobicContact CD1-CE1 4.22Å; L13-Y26 HydrophobicContact CD1-CE2 3.57Å; L13-Y26 HydrophobicContact CD2-CE2 4.39Å; F22-Y26 VanDerWaalsContact O-CD2 3.31Å; F22-Y26 WeakPolarHBondContact O-CD2 3.48Å; F22-Y26 WeakPolarHBondContact O-CE2 3.34Å; V23-Y26 PolarHBondContact O-N 3.28Å; V23-Y26 VanDerWaalsContact O-N 3.12Å; K24-Y26 VanDerWaalsContact C-N 3.33Å; K24-Y26 PolarHBondContact O-N 3.14Å; Y26-L30 VanDerWaalsContact O-CB 3.29Å; Y26-L30 WeakPolarHBondContact O-CB 3.34Å; Y26-L30 PolarHBondContact O-N 3.35Å; Y26-F61 HydrophobicContact CD1-CB 4.17Å; Y26-F61 HydrophobicContact CD1-CD1 4.29Å; Y26-F61 WeakPolarHBondContact CD1-O 3.37Å; Y26-F61 HydrophobicContact CD2-CD1 4.18Å; Y26-F61 HydrophobicContact CE1-CB 4.33Å; Y26-F61 AromaticContact CG-CD1 3.87Å; Y26-F61 HydrophobicContact CG-CD1 3.87Å; Y26-V63 HydrophobicContact CD1-CG2 3.76Å |
| 27 | L | 95.7 | Very high | 92.1 | Very high | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64 | -43.7 | 173.8 | -77.1 | 169.5 | 0 | 0 | 0 | 111.5 | V23 K24 R31 D49 L52 I53 L56 | V23-L27 HydrophobicContact CG1-CD1 3.82Å; V23-L27 HydrophobicContact CG1-CG 4.25Å; V23-L27 PolarHBondContact O-N 2.98Å; K24-L27 PolarHBondContact O-N 2.96Å; L27-R31 VanDerWaalsContact O-CB 3.31Å; L27-R31 WeakPolarHBondContact O-CB 3.26Å; L27-R31 PolarHBondContact O-N 3.46Å; L27-D49 HydrophobicContact CD1-CB 4.05Å; L27-L52 HydrophobicContact CD2-CB 3.8Å; L27-I53 HydrophobicContact CD2-CB 4Å; L27-L56 HydrophobicContact CD2-CD1 3.64Å; L27-L56 HydrophobicContact CG-CD1 3.86Å |
| 28 | L | 94.6 | Very high | 91.2 | Very high | 89 Ų | 89 | 68.5 Ų | 68.5 | 47% | 0.466 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.2 | -47 | 177.1 | -178.6 | 62.1 | 0 | 0 | 0 | 111.1 | K24 P25 R31 Q32 | K24-L28 WeakPolarHBondContact O-CB 3.33Å; K24-L28 PolarHBondContact O-N 3.15Å; P25-L28 PolarHBondContact O-N 3.41Å; L28-R31 PolarHBondContact O-N 3.33Å; L28-Q32 HydrophobicContact CD1-CG 4.3Å; L28-Q32 WeakPolarHBondContact O-CB 3.48Å; L28-Q32 VanDerWaalsContact O-CG 3.29Å; L28-Q32 WeakPolarHBondContact O-CG 3.38Å; L28-Q32 PolarHBondContact O-N 3.22Å |
| 29 | E | 95.7 | Very high | 89.7 | Confident | 81 Ų | 81 | 73.9 Ų | 73.9 | 38% | 0.379 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.3 | -50.3 | 179 | -168.1 | -169.8 | 154.8 | 0 | 0 | 111.2 | P25 R31 Q32 R33 V63 | P25-E29 WeakPolarHBondContact O-CB 3.39Å; P25-E29 PolarHBondContact O-N 3.05Å; E29-R31 VanDerWaalsContact C-N 3.29Å; E29-R31 PolarHBondContact O-N 2.93Å; E29-Q32 PolarHBondContact O-N 3.35Å; E29-R33 HydrophobicContact CG-CG 4.36Å; E29-R33 WeakPolarHBondContact O-CG 3.39Å; E29-R33 PolarHBondContact O-N 3.4Å; E29-V63 HydrophobicContact CB-CG1 4.5Å; E29-V63 HydrophobicContact CG-CG1 4.1Å |
| 30 | L | 95.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.1 | -44.7 | 178.7 | 178.5 | 59.2 | 0 | 0 | 0 | 111.1 | Y26 R33 A34 L52 F55 L56 V63 L67 | Y26-L30 VanDerWaalsContact O-CB 3.29Å; Y26-L30 WeakPolarHBondContact O-CB 3.34Å; Y26-L30 PolarHBondContact O-N 3.35Å; L30-R33 PolarHBondContact O-N 2.92Å; L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 3.15Å; L30-L52 HydrophobicContact CD2-CB 4.21Å; L30-L52 HydrophobicContact CD2-CD2 4.26Å; L30-L52 HydrophobicContact CG-CD2 4.43Å; L30-F55 HydrophobicContact CD2-CB 4.35Å; L30-L56 HydrophobicContact CB-CD2 4.32Å; L30-L56 HydrophobicContact CD2-CD1 4.36Å; L30-L56 HydrophobicContact CD2-CD2 3.93Å; L30-L56 HydrophobicContact CD2-CG 3.74Å; L30-V63 HydrophobicContact CB-CG1 4.3Å; L30-V63 HydrophobicContact CD1-CG1 4.43Å; L30-L67 HydrophobicContact CD1-CB 3.87Å; L30-L67 HydrophobicContact CD1-CD1 4.15Å |
| 31 | R | 93.6 | Very high | 86.5 | Confident | 51 Ų | 51 | 74.9 Ų | 74.9 | 19% | 0.192 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.3 | -50 | 176.6 | -178.6 | 178.1 | -64.7 | 105.2 | 4 | 112 | L27 L28 E29 R33 A34 Q35 W47 D49 L52 | L27-R31 VanDerWaalsContact O-CB 3.31Å; L27-R31 WeakPolarHBondContact O-CB 3.26Å; L27-R31 PolarHBondContact O-N 3.46Å; L28-R31 PolarHBondContact O-N 3.33Å; E29-R31 VanDerWaalsContact C-N 3.29Å; E29-R31 PolarHBondContact O-N 2.93Å; R31-R33 VanDerWaalsContact C-N 3.34Å; R31-R33 PolarHBondContact O-N 3.22Å; R31-A34 PolarHBondContact O-N 3.31Å; R31-Q35 HydrophobicContact CG-CG 4.45Å; R31-Q35 WeakPolarHBondContact O-CB 3.04Å; R31-Q35 VanDerWaalsContact O-CG 3.3Å; R31-Q35 WeakPolarHBondContact O-CG 3.29Å; R31-Q35 PolarHBondContact O-N 2.93Å; R31-W47 PolarHBondContact NH2-O 3.2Å; R31-D49 IonicContact CZ-OD1 3.44Å; R31-D49 IonicContact NH1-OD1 3.36Å; R31-D49 PolarHBondContact NH1-OD1 3.28Å; R31-D49 IonicContact NH2-OD1 2.64Å; R31-D49 PolarHBondContact NH2-OD1 3.31Å; R31-L52 HydrophobicContact CB-CD1 3.73Å; R31-L52 HydrophobicContact CG-CD1 4.32Å |
| 32 | Q | 92.2 | Very high | 84.7 | Confident | 93 Ų | 93 | 77 Ų | 77 | 44% | 0.435 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | -178.5 | -75 | 177.3 | 2.1 | 0 | 0 | 111.8 | L28 E29 K36 | L28-Q32 HydrophobicContact CD1-CG 4.3Å; L28-Q32 WeakPolarHBondContact O-CB 3.48Å; L28-Q32 VanDerWaalsContact O-CG 3.29Å; L28-Q32 WeakPolarHBondContact O-CG 3.38Å; L28-Q32 PolarHBondContact O-N 3.22Å; E29-Q32 PolarHBondContact O-N 3.35Å; Q32-K36 WeakPolarHBondContact O-CG 3.43Å; Q32-K36 PolarHBondContact O-N 3.41Å |
| 33 | R | 92.9 | Very high | 83 | Confident | 87 Ų | 87 | 76 Ų | 76 | 33% | 0.328 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.5 | -42.8 | 177.9 | -64.8 | -168.1 | 78.2 | -162 | -7.3 | 111.2 | E29 L30 R31 Q35 K36 E64 L67 | E29-R33 HydrophobicContact CG-CG 4.36Å; E29-R33 WeakPolarHBondContact O-CG 3.39Å; E29-R33 PolarHBondContact O-N 3.4Å; L30-R33 PolarHBondContact O-N 2.92Å; R31-R33 VanDerWaalsContact C-N 3.34Å; R31-R33 PolarHBondContact O-N 3.22Å; R33-Q35 VanDerWaalsContact C-N 3.31Å; R33-Q35 PolarHBondContact O-N 3.05Å; R33-K36 PolarHBondContact O-N 2.81Å; R33-E64 IonicContact CZ-OE2 2.62Å; R33-E64 IonicContact NH1-OE2 3.62Å; R33-E64 PolarHBondContact NH1-OE2 3.25Å; R33-E64 IonicContact NH2-OE2 3.15Å; R33-E64 PolarHBondContact NH2-OE2 3.28Å; R33-L67 HydrophobicContact CB-CD2 4Å |
| 34 | A | 89.3 | Confident | 81 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L30 R31 K36 D37 I38 W47 L67 L70 F71 | L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 3.15Å; R31-A34 PolarHBondContact O-N 3.31Å; A34-K36 VanDerWaalsContact C-N 3.35Å; A34-K36 PolarHBondContact O-N 2.76Å; A34-D37 PolarHBondContact O-N 2.81Å; A34-I38 WeakPolarHBondContact O-CG1 3.25Å; A34-I38 PolarHBondContact O-N 2.81Å; A34-W47 HydrophobicContact CB-CE3 3.92Å; A34-W47 HydrophobicContact CB-CH2 3.53Å; A34-W47 HydrophobicContact CB-CZ3 3.12Å; A34-L67 HydrophobicContact CB-CD1 3.55Å; A34-L70 HydrophobicContact CB-CD2 3.89Å; A34-F71 HydrophobicContact CB-CZ 4.32Å |
| 35 | Q | 86.9 | Confident | 79 | Confident | 100 Ų | 100 | 80.1 Ų | 80.1 | 47% | 0.467 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.3 | -29 | 176.7 | -76.4 | 174.2 | -18.7 | 0 | 0 | 114.2 | R31 R33 D37 I38 W47 | R31-Q35 HydrophobicContact CG-CG 4.45Å; R31-Q35 WeakPolarHBondContact O-CB 3.04Å; R31-Q35 VanDerWaalsContact O-CG 3.3Å; R31-Q35 WeakPolarHBondContact O-CG 3.29Å; R31-Q35 PolarHBondContact O-N 2.93Å; R33-Q35 VanDerWaalsContact C-N 3.31Å; R33-Q35 PolarHBondContact O-N 3.05Å; Q35-D37 VanDerWaalsContact C-N 3.3Å; Q35-I38 HydrophobicContact CG-CD1 4.48Å; Q35-W47 HydrophobicContact CG-CZ3 4.37Å |
| 36 | K | 84.7 | Confident | 77.4 | Confident | 165 Ų | 165 | 83.1 Ų | 83.1 | 72% | 0.717 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68.9 | -31.1 | 177.4 | -73.8 | 173.4 | -177.6 | 178.4 | 0 | 112.7 | Q32 R33 A34 | Q32-K36 WeakPolarHBondContact O-CG 3.43Å; Q32-K36 PolarHBondContact O-N 3.41Å; R33-K36 PolarHBondContact O-N 2.81Å; A34-K36 VanDerWaalsContact C-N 3.35Å; A34-K36 PolarHBondContact O-N 2.76Å |
| 37 | D | 76.9 | Confident | 76.6 | Confident | 98 Ų | 98 | 80.5 Ų | 80.5 | 52% | 0.524 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -99.3 | 0.9 | -174.4 | -62.5 | -20.6 | 0 | 0 | 0 | 112.7 | A34 Q35 I39 F71 | A34-D37 PolarHBondContact O-N 2.81Å; Q35-D37 VanDerWaalsContact C-N 3.3Å; D37-I39 PolarHBondContact O-N 2.78Å; D37-F71 HydrophobicContact CB-CE2 3.85Å; D37-F71 HydrophobicContact CB-CZ 3.69Å |
| 38 | I | 73.6 | Confident | 76.3 | Confident | 32 Ų | 32 | 83 Ų | 83 | 16% | 0.164 | 42% | 0.418 | C | S | . | . | trans | -73.1 | 124.6 | 172.8 | -74.7 | 165 | 0 | 0 | 0 | 110 | A34 Q35 D40 W47 | A34-I38 WeakPolarHBondContact O-CG1 3.25Å; A34-I38 PolarHBondContact O-N 2.81Å; Q35-I38 HydrophobicContact CG-CD1 4.48Å; I38-D40 VanDerWaalsContact CG2-N 3.35Å; I38-D40 WeakPolarHBondContact CG2-O 3.48Å; I38-W47 HydrophobicContact CD1-CE3 4.18Å; I38-W47 HydrophobicContact CD1-CH2 3.12Å; I38-W47 HydrophobicContact CD1-CZ2 3.87Å; I38-W47 HydrophobicContact CD1-CZ3 3.27Å; I38-W47 HydrophobicContact CG1-CH2 3.47Å; I38-W47 VanDerWaalsContact CG1-CH2 3.47Å; I38-W47 HydrophobicContact CG1-CZ2 4.22Å; I38-W47 HydrophobicContact CG1-CZ3 4.06Å | ||
| 39 | I | 60.2 | Low | 76.3 | Confident | 169 Ų | 169 | 82.6 Ų | 82.6 | 87% | 0.867 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -87.2 | -25.2 | 172.8 | -58.3 | 172.7 | 0 | 0 | 0 | 111.2 | D37 | D37-I39 PolarHBondContact O-N 2.78Š|
| 40 | D | 61.7 | Low | 76.1 | Confident | 60 Ų | 60 | 82 Ų | 82 | 32% | 0.321 | 42% | 0.421 | S | S | . | . | trans | -121.2 | 107.9 | -175 | 174.5 | 7.6 | 0 | 0 | 0 | 112 | I38 Q42 Q43 | I38-D40 VanDerWaalsContact CG2-N 3.35Å; I38-D40 WeakPolarHBondContact CG2-O 3.48Å; D40-Q42 PolarHBondContact O-N 2.88Å; D40-Q42 VanDerWaalsContact O-N 3.08Å; D40-Q42 PolarHBondContact OD1-N 3.09Å; D40-Q43 HydrophobicContact CB-CG 4.15Å; D40-Q43 WeakPolarHBondContact O-CB 3.36Å; D40-Q43 PolarHBondContact O-N 2.96Å; D40-Q43 PolarHBondContact OD2-NE2 2.89Å | ||
| 41 | P | 54.5 | Low | 76 | Confident | 100 Ų | 100 | 83.7 Ų | 83.7 | 65% | 0.649 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -57.3 | -22.8 | -178.3 | -24.5 | 33.5 | 0 | 0 | 0 | 115.2 | Q43 S44 | P41-Q43 PolarHBondContact O-N 3.29Å; P41-S44 PolarHBondContact O-N 2.86Å; P41-S44 PolarHBondContact O-OG 2.76Å |
| 42 | Q | 55.2 | Low | 76.1 | Confident | 168 Ų | 168 | 81.2 Ų | 81.2 | 79% | 0.785 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -71.5 | -21.5 | 176.8 | -65.9 | -173.5 | 0.8 | 0 | 0 | 112.2 | D40 S44 | D40-Q42 PolarHBondContact O-N 2.88Å; D40-Q42 VanDerWaalsContact O-N 3.08Å; D40-Q42 PolarHBondContact OD1-N 3.09Å; Q42-S44 VanDerWaalsContact C-N 3.27Å; Q42-S44 PolarHBondContact O-N 3.12Å |
| 43 | Q | 56.8 | Low | 76.4 | Confident | 58 Ų | 58 | 76.9 Ų | 76.9 | 27% | 0.271 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -73.5 | -17.2 | 175.7 | -66.7 | 174.4 | 28.7 | 0 | 0 | 113.2 | D40 P41 | D40-Q43 HydrophobicContact CB-CG 4.15Å; D40-Q43 WeakPolarHBondContact O-CB 3.36Å; D40-Q43 PolarHBondContact O-N 2.96Å; D40-Q43 PolarHBondContact OD2-NE2 2.89Å; P41-Q43 PolarHBondContact O-N 3.29Å |
| 44 | S | 54.1 | Low | 76.6 | Confident | 41 Ų | 41 | 73.4 Ų | 73.4 | 29% | 0.287 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -82.5 | -11.3 | -177 | 75.7 | 0 | 0 | 0 | 0 | 114.3 | P41 Q42 N46 | P41-S44 PolarHBondContact O-N 2.86Å; P41-S44 PolarHBondContact O-OG 2.76Å; Q42-S44 VanDerWaalsContact C-N 3.27Å; Q42-S44 PolarHBondContact O-N 3.12Å; S44-N46 VanDerWaalsContact C-N 3.28Å; S44-N46 PolarHBondContact O-N 2.81Å |
| 45 | L | 51.2 | Low | 77 | Confident | 144 Ų | 144 | 73.4 Ų | 73.4 | 75% | 0.754 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -16.7 | -166.7 | -122.3 | 78.1 | 0 | 0 | 0 | 114.6 | ||
| 46 | N | 64.1 | Low | 77.5 | Confident | 135 Ų | 135 | 68.7 Ų | 68.7 | 72% | 0.722 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120 | 16.9 | -168.2 | -79.5 | -9.9 | 0 | 0 | 0 | 115.9 | S44 S48 | S44-N46 VanDerWaalsContact C-N 3.28Å; S44-N46 PolarHBondContact O-N 2.81Å; N46-S48 VanDerWaalsContact C-N 3.35Å; N46-S48 PolarHBondContact O-N 3.29Å; N46-S48 VanDerWaalsContact O-N 3.15Å |
| 47 | W | 79.6 | Confident | 78.1 | Confident | 17 Ų | 17 | 60.8 Ų | 60.8 | 6% | 0.064 | 33% | 0.33 | C | S | . | . | trans | -91.2 | 64.4 | -179.5 | -63.2 | -10.4 | 0 | 0 | 0 | 113.5 | R31 A34 Q35 I38 F51 L52 L70 F71 | R31-W47 PolarHBondContact NH2-O 3.2Å; A34-W47 HydrophobicContact CB-CE3 3.92Å; A34-W47 HydrophobicContact CB-CH2 3.53Å; A34-W47 HydrophobicContact CB-CZ3 3.12Å; Q35-W47 HydrophobicContact CG-CZ3 4.37Å; I38-W47 HydrophobicContact CD1-CE3 4.18Å; I38-W47 HydrophobicContact CD1-CH2 3.12Å; I38-W47 HydrophobicContact CD1-CZ2 3.87Å; I38-W47 HydrophobicContact CD1-CZ3 3.27Å; I38-W47 HydrophobicContact CG1-CH2 3.47Å; I38-W47 VanDerWaalsContact CG1-CH2 3.47Å; I38-W47 HydrophobicContact CG1-CZ2 4.22Å; I38-W47 HydrophobicContact CG1-CZ3 4.06Å; W47-F51 HydrophobicContact CB-CD1 4.29Å; W47-F51 AromaticContact CD1-CD1 3.64Å; W47-F51 AromaticContact CD1-CE1 3.37Å; W47-F51 HydrophobicContact CG-CD1 4.14Å; W47-F51 HydrophobicContact CG-CE1 4.14Å; W47-F51 AromaticContact NE1-CE1 3.77Å; W47-L52 HydrophobicContact CB-CD1 4.21Å; W47-L52 HydrophobicContact CB-CD2 4.02Å; W47-L52 HydrophobicContact CB-CG 4.07Å; W47-L52 HydrophobicContact CD2-CD2 4.45Å; W47-L52 HydrophobicContact CG-CD2 4.19Å; W47-L70 HydrophobicContact CH2-CD2 4.27Å; W47-L70 HydrophobicContact CZ2-CD2 4.13Å; W47-F71 HydrophobicContact CH2-CE1 4.18Å | ||
| 48 | S | 89.6 | Confident | 79.1 | Confident | 55 Ų | 55 | 56.4 Ų | 56.4 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | trans | -58.7 | 161.2 | 170.5 | 66.2 | 0 | 0 | 0 | 0 | 111.8 | N46 S50 F51 L52 | N46-S48 VanDerWaalsContact C-N 3.35Å; N46-S48 PolarHBondContact O-N 3.29Å; N46-S48 VanDerWaalsContact O-N 3.15Å; S48-S50 PolarHBondContact O-N 2.93Å; S48-S50 PolarHBondContact OG-OG 2.89Å; S48-F51 PolarHBondContact O-N 3.41Å; S48-F51 VanDerWaalsContact O-N 3.1Å; S48-F51 WeakPolarHBondContact OG-CB 3.31Å; S48-F51 PolarHBondContact OG-N 3.16Å; S48-F51 VanDerWaalsContact OG-N 3.11Å; S48-L52 PolarHBondContact O-N 3.14Å | ||
| 49 | D | 93.4 | Very high | 80.2 | Confident | 81 Ų | 81 | 57.2 Ų | 57.2 | 43% | 0.433 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -55.7 | -42.8 | 171.9 | -76.2 | -19.8 | 0 | 0 | 0 | 111.4 | L27 R31 F51 L52 I53 | L27-D49 HydrophobicContact CD1-CB 4.05Å; R31-D49 IonicContact CZ-OD1 3.44Å; R31-D49 IonicContact NH1-OD1 3.36Å; R31-D49 PolarHBondContact NH1-OD1 3.28Å; R31-D49 IonicContact NH2-OD1 2.64Å; R31-D49 PolarHBondContact NH2-OD1 3.31Å; D49-F51 PolarHBondContact O-N 2.95Å; D49-L52 PolarHBondContact O-N 3.33Å; D49-I53 WeakPolarHBondContact O-CB 3.49Å; D49-I53 WeakPolarHBondContact O-CG2 3.47Å; D49-I53 PolarHBondContact O-N 3.1Å |
| 50 | S | 92.7 | Very high | 81.9 | Confident | 67 Ų | 67 | 53.8 Ų | 53.8 | 47% | 0.469 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63 | -27.1 | 177.4 | 59.2 | 0 | 0 | 0 | 0 | 113.7 | S48 K54 | S48-S50 PolarHBondContact O-N 2.93Å; S48-S50 PolarHBondContact OG-OG 2.89Å; S50-K54 VanDerWaalsContact O-CE 3.25Å; S50-K54 WeakPolarHBondContact O-CE 3.33Å |
| 51 | F | 93.3 | Very high | 83.5 | Confident | 36 Ų | 36 | 51.3 Ų | 51.3 | 16% | 0.158 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -78.8 | -50.3 | 173.5 | 176.2 | -99.8 | 0 | 0 | 0 | 111.3 | W47 S48 D49 I53 K54 F55 L70 Y73 | W47-F51 HydrophobicContact CB-CD1 4.29Å; W47-F51 AromaticContact CD1-CD1 3.64Å; W47-F51 AromaticContact CD1-CE1 3.37Å; W47-F51 HydrophobicContact CG-CD1 4.14Å; W47-F51 HydrophobicContact CG-CE1 4.14Å; W47-F51 AromaticContact NE1-CE1 3.77Å; S48-F51 PolarHBondContact O-N 3.41Å; S48-F51 VanDerWaalsContact O-N 3.1Å; S48-F51 WeakPolarHBondContact OG-CB 3.31Å; S48-F51 PolarHBondContact OG-N 3.16Å; S48-F51 VanDerWaalsContact OG-N 3.11Å; D49-F51 PolarHBondContact O-N 2.95Å; F51-I53 PolarHBondContact O-N 3.44Å; F51-K54 WeakPolarHBondContact O-CB 3.37Å; F51-K54 PolarHBondContact O-N 3.18Å; F51-F55 HydrophobicContact CD1-CE2 4.18Å; F51-F55 HydrophobicContact CD2-CE2 4.4Å; F51-F55 HydrophobicContact CE1-CD2 4.49Å; F51-F55 AromaticContact CE1-CE2 3.68Å; F51-F55 HydrophobicContact CE1-CE2 3.68Å; F51-F55 HydrophobicContact CE1-CZ 4.34Å; F51-F55 AromaticContact CE2-CE2 3.92Å; F51-F55 HydrophobicContact CE2-CE2 3.92Å; F51-F55 HydrophobicContact CE2-CZ 4.31Å; F51-F55 AromaticContact CZ-CE2 3.54Å; F51-F55 HydrophobicContact CZ-CE2 3.54Å; F51-F55 AromaticContact CZ-CZ 3.85Å; F51-F55 HydrophobicContact CZ-CZ 3.85Å; F51-F55 WeakPolarHBondContact O-CD2 3.29Å; F51-L70 HydrophobicContact CE1-CD1 3.55Å; F51-L70 HydrophobicContact CZ-CD1 3.87Å; F51-Y73 HydrophobicContact CE2-CE1 4.28Å; F51-Y73 HydrophobicContact CZ-CE1 4.22Å |
| 52 | L | 95.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.3 | -34 | -174.8 | -69.2 | -179.2 | 0 | 0 | 0 | 113.2 | L27 L30 R31 W47 S48 D49 K54 F55 L56 L70 | L27-L52 HydrophobicContact CD2-CB 3.8Å; L30-L52 HydrophobicContact CD2-CB 4.21Å; L30-L52 HydrophobicContact CD2-CD2 4.26Å; L30-L52 HydrophobicContact CG-CD2 4.43Å; R31-L52 HydrophobicContact CB-CD1 3.73Å; R31-L52 HydrophobicContact CG-CD1 4.32Å; W47-L52 HydrophobicContact CB-CD1 4.21Å; W47-L52 HydrophobicContact CB-CD2 4.02Å; W47-L52 HydrophobicContact CB-CG 4.07Å; W47-L52 HydrophobicContact CD2-CD2 4.45Å; W47-L52 HydrophobicContact CG-CD2 4.19Å; S48-L52 PolarHBondContact O-N 3.14Å; D49-L52 PolarHBondContact O-N 3.33Å; L52-K54 PolarHBondContact O-N 3.39Å; L52-K54 VanDerWaalsContact O-N 3.17Å; L52-F55 WeakPolarHBondContact O-CB 3.28Å; L52-F55 PolarHBondContact O-N 3.05Å; L52-L56 PolarHBondContact O-N 3.13Å; L52-L70 HydrophobicContact CD2-CD2 3.89Å |
| 53 | I | 97.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62 | -28 | -177.6 | -160 | 166.4 | 0 | 0 | 0 | 113 | D18 V23 L27 D49 F51 F55 L56 R57 | D18-I53 HydrophobicContact CB-CD1 3.71Å; V23-I53 HydrophobicContact CG1-CD1 3.89Å; L27-I53 HydrophobicContact CD2-CB 4Å; D49-I53 WeakPolarHBondContact O-CB 3.49Å; D49-I53 WeakPolarHBondContact O-CG2 3.47Å; D49-I53 PolarHBondContact O-N 3.1Å; F51-I53 PolarHBondContact O-N 3.44Å; I53-F55 VanDerWaalsContact C-N 3.26Å; I53-F55 PolarHBondContact O-N 3.29Å; I53-L56 PolarHBondContact O-N 3.18Å; I53-R57 HydrophobicContact CG1-CG 4.31Å; I53-R57 WeakPolarHBondContact O-CB 3.26Å; I53-R57 PolarHBondContact O-N 2.96Å |
| 54 | K | 97.4 | Very high | 89.4 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.2 | -41.4 | 175.8 | -62.2 | 167.6 | -179.2 | 173.3 | 0 | 111 | S50 F51 L52 A58 V144 Q150 P188 | S50-K54 VanDerWaalsContact O-CE 3.25Å; S50-K54 WeakPolarHBondContact O-CE 3.33Å; F51-K54 WeakPolarHBondContact O-CB 3.37Å; F51-K54 PolarHBondContact O-N 3.18Å; L52-K54 PolarHBondContact O-N 3.39Å; L52-K54 VanDerWaalsContact O-N 3.17Å; K54-A58 WeakPolarHBondContact O-CB 3.47Å; K54-A58 PolarHBondContact O-N 3.37Å; K54-V144 HydrophobicContact CB-CG2 4.27Å; K54-V144 HydrophobicContact CD-CG1 4.2Å; K54-V144 HydrophobicContact CD-CG2 4.12Å; K54-V144 HydrophobicContact CG-CG2 4.16Å; K54-Q150 HydrophobicContact CG-CG 4.46Å; K54-P188 HydrophobicContact CB-CB 4Å; K54-P188 HydrophobicContact CB-CG 4.14Å |
| 55 | F | 97.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.9 | -43.3 | -179.8 | -62.8 | -88.9 | 0 | 0 | 0 | 111.6 | L30 F51 L52 I53 A58 R59 S66 L69 L70 Y73 P188 | L30-F55 HydrophobicContact CD2-CB 4.35Å; F51-F55 HydrophobicContact CD1-CE2 4.18Å; F51-F55 HydrophobicContact CD2-CE2 4.4Å; F51-F55 HydrophobicContact CE1-CD2 4.49Å; F51-F55 AromaticContact CE1-CE2 3.68Å; F51-F55 HydrophobicContact CE1-CE2 3.68Å; F51-F55 HydrophobicContact CE1-CZ 4.34Å; F51-F55 AromaticContact CE2-CE2 3.92Å; F51-F55 HydrophobicContact CE2-CE2 3.92Å; F51-F55 HydrophobicContact CE2-CZ 4.31Å; F51-F55 AromaticContact CZ-CE2 3.54Å; F51-F55 HydrophobicContact CZ-CE2 3.54Å; F51-F55 AromaticContact CZ-CZ 3.85Å; F51-F55 HydrophobicContact CZ-CZ 3.85Å; F51-F55 WeakPolarHBondContact O-CD2 3.29Å; L52-F55 WeakPolarHBondContact O-CB 3.28Å; L52-F55 PolarHBondContact O-N 3.05Å; I53-F55 VanDerWaalsContact C-N 3.26Å; I53-F55 PolarHBondContact O-N 3.29Å; F55-A58 PolarHBondContact O-N 3.4Å; F55-R59 PolarHBondContact O-N 3.33Å; F55-S66 PolarHBondContact O-OG 2.9Å; F55-L69 HydrophobicContact CD1-CB 4.17Å; F55-L69 HydrophobicContact CD1-CD2 3.99Å; F55-L69 HydrophobicContact CD1-CG 3.73Å; F55-L69 HydrophobicContact CE1-CG 4.21Å; F55-L70 HydrophobicContact CD1-CB 3.84Å; F55-L70 HydrophobicContact CD1-CD1 4.45Å; F55-L70 HydrophobicContact CD2-CD1 4.27Å; F55-L70 VanDerWaalsContact CE1-CA 3.44Å; F55-L70 HydrophobicContact CE1-CB 4.08Å; F55-L70 HydrophobicContact CE1-CD1 4.06Å; F55-L70 HydrophobicContact CE2-CD1 3.83Å; F55-L70 HydrophobicContact CG-CB 4.19Å; F55-L70 HydrophobicContact CZ-CD1 3.72Å; F55-Y73 HydrophobicContact CE1-CD1 4.39Å; F55-Y73 HydrophobicContact CE1-CG 4.18Å; F55-Y73 AromaticContact CZ-CD1 3.91Å; F55-Y73 HydrophobicContact CZ-CD1 3.91Å; F55-Y73 HydrophobicContact CZ-CE1 4.48Å; F55-Y73 HydrophobicContact CZ-CG 4.08Å; F55-P188 HydrophobicContact CD1-CB 4.04Å; F55-P188 HydrophobicContact CD1-CG 4.4Å; F55-P188 HydrophobicContact CE1-CB 4.08Å; F55-P188 HydrophobicContact CE1-CG 3.95Å; F55-P188 HydrophobicContact CE2-CG 4.37Å; F55-P188 HydrophobicContact CG-CB 4.32Å; F55-P188 HydrophobicContact CZ-CB 4.44Å; F55-P188 HydrophobicContact CZ-CG 3.95Å |
| 56 | L | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58 | -52.9 | 174.3 | -70.9 | 171.8 | 0 | 0 | 0 | 111.1 | L27 L30 L52 I53 A58 R59 D60 F61 V63 S66 | L27-L56 HydrophobicContact CD2-CD1 3.64Å; L27-L56 HydrophobicContact CG-CD1 3.86Å; L30-L56 HydrophobicContact CB-CD2 4.32Å; L30-L56 HydrophobicContact CD2-CD1 4.36Å; L30-L56 HydrophobicContact CD2-CD2 3.93Å; L30-L56 HydrophobicContact CD2-CG 3.74Å; L52-L56 PolarHBondContact O-N 3.13Å; I53-L56 PolarHBondContact O-N 3.18Å; L56-A58 VanDerWaalsContact C-N 3.33Å; L56-A58 PolarHBondContact O-N 3.31Å; L56-R59 CarbonylContact O-C 3.43Å; L56-R59 VanDerWaalsContact O-C 3.3Å; L56-R59 PolarHBondContact O-N 3.41Å; L56-D60 PolarHBondContact O-N 3.36Å; L56-F61 HydrophobicContact CB-CD1 4.08Å; L56-F61 HydrophobicContact CB-CE1 4.13Å; L56-F61 HydrophobicContact CB-CG 4.38Å; L56-F61 HydrophobicContact CB-CZ 4.45Å; L56-F61 HydrophobicContact CD1-CD1 4.34Å; L56-F61 HydrophobicContact CD1-CE1 4.24Å; L56-F61 PolarHBondContact O-N 2.93Å; L56-V63 HydrophobicContact CD2-CG2 4.36Å; L56-S66 WeakPolarHBondContact CA-OG 3.32Å |
| 57 | R | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.3 | -40.7 | 178.7 | -78.2 | 177.6 | 169.4 | 144 | 3.8 | 112.2 | N14 L16 D18 I53 R59 D60 F61 Q150 K190 | N14-R57 VanDerWaalsContact OD1-CA 3.32Å; N14-R57 WeakPolarHBondContact OD1-CA 3.47Å; N14-R57 PolarHBondContact OD1-O 3.41Å; L16-R57 PolarHBondContact O-NH2 2.85Å; L16-R57 VanDerWaalsContact O-NH2 3.08Å; D18-R57 IonicContact OD1-CZ 3.82Å; D18-R57 IonicContact OD1-NH1 3.21Å; D18-R57 PolarHBondContact OD1-NH1 3.49Å; D18-R57 IonicContact OD1-NH2 2.6Å; D18-R57 PolarHBondContact OD1-NH2 3.47Å; D18-R57 IonicContact OD2-NH1 2.81Å; I53-R57 HydrophobicContact CG1-CG 4.31Å; I53-R57 WeakPolarHBondContact O-CB 3.26Å; I53-R57 PolarHBondContact O-N 2.96Å; R57-R59 PolarHBondContact O-N 2.86Å; R57-R59 VanDerWaalsContact O-N 3.1Å; R57-D60 PolarHBondContact O-N 2.64Å; R57-F61 HydrophobicContact CG-CE2 3.85Å; R57-F61 HydrophobicContact CG-CZ 4.17Å; R57-Q150 HydrophobicContact CB-CB 4.12Å; R57-K190 WeakPolarHBondContact O-CE 3.22Å; R57-K190 PolarHBondContact O-NZ 2.89Å |
| 58 | A | 97.1 | Very high | 96 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.7 | -17.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K54 F55 L56 L69 P188 | K54-A58 WeakPolarHBondContact O-CB 3.47Å; K54-A58 PolarHBondContact O-N 3.37Å; F55-A58 PolarHBondContact O-N 3.4Å; L56-A58 VanDerWaalsContact C-N 3.33Å; L56-A58 PolarHBondContact O-N 3.31Å; A58-L69 HydrophobicContact CB-CD2 3.72Å; A58-P188 HydrophobicContact CB-CB 4.06Å |
| 59 | R | 96.8 | Very high | 96.3 | Very high | 49 Ų | 49 | 36.3 Ų | 36.3 | 19% | 0.185 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126 | 24.3 | -179.6 | -63.3 | -62.8 | -179 | -97 | 7.5 | 113.3 | F55 L56 R57 F61 N62 L65 L69 T184 | F55-R59 PolarHBondContact O-N 3.33Å; L56-R59 CarbonylContact O-C 3.43Å; L56-R59 VanDerWaalsContact O-C 3.3Å; L56-R59 PolarHBondContact O-N 3.41Å; R57-R59 PolarHBondContact O-N 2.86Å; R57-R59 VanDerWaalsContact O-N 3.1Å; R59-F61 PolarHBondContact O-N 2.66Å; R59-N62 VanDerWaalsContact O-CB 3.29Å; R59-N62 WeakPolarHBondContact O-CB 3Å; R59-N62 PolarHBondContact O-N 2.79Å; R59-L65 HydrophobicContact CB-CB 3.98Å; R59-L65 HydrophobicContact CG-CB 3.95Å; R59-L69 HydrophobicContact CG-CD2 3.98Å; R59-T184 PolarHBondContact NH2-O 3.03Å |
| 60 | D | 95.4 | Very high | 96.4 | Very high | 98 Ų | 98 | 32.5 Ų | 32.5 | 52% | 0.524 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 43.7 | 174.3 | -53.5 | -47.9 | 0 | 0 | 0 | 111.8 | N14 L56 R57 N62 K190 | N14-D60 PolarHBondContact ND2-OD1 3.04Å; N14-D60 VanDerWaalsContact ND2-OD1 3.07Å; L56-D60 PolarHBondContact O-N 3.36Å; R57-D60 PolarHBondContact O-N 2.64Å; D60-N62 PolarHBondContact O-N 3.2Å; D60-N62 VanDerWaalsContact O-N 3.12Å; D60-K190 IonicContact OD1-NZ 3.9Å; D60-K190 PolarHBondContact OD1-NZ 3.4Å |
| 61 | F | 96.5 | Very high | 96.4 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 13.6 | 179.8 | -72.2 | -102.8 | 0 | 0 | 0 | 115.7 | L13 V23 Y26 L56 R57 R59 V63 | L13-F61 HydrophobicContact CB-CB 4.24Å; L13-F61 HydrophobicContact CB-CD1 4.11Å; L13-F61 HydrophobicContact CB-CD2 3.54Å; L13-F61 HydrophobicContact CB-CE1 4.37Å; L13-F61 HydrophobicContact CB-CE2 3.86Å; L13-F61 HydrophobicContact CB-CG 3.68Å; L13-F61 HydrophobicContact CB-CZ 4.25Å; L13-F61 HydrophobicContact CD1-CB 3.68Å; L13-F61 HydrophobicContact CD1-CD1 4.13Å; L13-F61 HydrophobicContact CD1-CG 3.87Å; L13-F61 HydrophobicContact CG-CG 4.43Å; L13-F61 WeakPolarHBondContact O-CE2 3.38Å; V23-F61 HydrophobicContact CB-CE1 4.44Å; V23-F61 HydrophobicContact CG1-CE1 4.05Å; V23-F61 HydrophobicContact CG1-CZ 4.46Å; V23-F61 HydrophobicContact CG2-CE1 4.06Å; V23-F61 HydrophobicContact CG2-CZ 4.16Å; Y26-F61 HydrophobicContact CD1-CB 4.17Å; Y26-F61 HydrophobicContact CD1-CD1 4.29Å; Y26-F61 WeakPolarHBondContact CD1-O 3.37Å; Y26-F61 HydrophobicContact CD2-CD1 4.18Å; Y26-F61 HydrophobicContact CE1-CB 4.33Å; Y26-F61 AromaticContact CG-CD1 3.87Å; Y26-F61 HydrophobicContact CG-CD1 3.87Å; L56-F61 HydrophobicContact CB-CD1 4.08Å; L56-F61 HydrophobicContact CB-CE1 4.13Å; L56-F61 HydrophobicContact CB-CG 4.38Å; L56-F61 HydrophobicContact CB-CZ 4.45Å; L56-F61 HydrophobicContact CD1-CD1 4.34Å; L56-F61 HydrophobicContact CD1-CE1 4.24Å; L56-F61 PolarHBondContact O-N 2.93Å; R57-F61 HydrophobicContact CG-CE2 3.85Å; R57-F61 HydrophobicContact CG-CZ 4.17Å; R59-F61 PolarHBondContact O-N 2.66Å; F61-V63 PolarHBondContact O-N 2.84Å; F61-V63 VanDerWaalsContact O-N 3.09Å |
| 62 | N | 97 | Very high | 96.5 | Very high | 75 Ų | 75 | 30.7 Ų | 30.7 | 40% | 0.401 | 15% | 0.149 | S | C | . | . | trans | -71.1 | 104.4 | 167.3 | -173.8 | -61.2 | 0 | 0 | 0 | 110 | R59 D60 E64 L65 S66 | R59-N62 VanDerWaalsContact O-CB 3.29Å; R59-N62 WeakPolarHBondContact O-CB 3Å; R59-N62 PolarHBondContact O-N 2.79Å; D60-N62 PolarHBondContact O-N 3.2Å; D60-N62 VanDerWaalsContact O-N 3.12Å; N62-E64 PolarHBondContact O-N 2.96Å; N62-E64 PolarHBondContact OD1-N 2.91Å; N62-L65 HydrophobicContact CB-CB 4.17Å; N62-L65 HydrophobicContact CB-CD1 4.1Å; N62-L65 HydrophobicContact CB-CG 4.3Å; N62-L65 PolarHBondContact O-N 3.21Å; N62-L65 WeakPolarHBondContact OD1-CG 3.24Å; N62-L65 PolarHBondContact OD1-N 2.82Å; N62-S66 WeakPolarHBondContact O-CB 3.05Å; N62-S66 PolarHBondContact O-N 3.1Å; N62-S66 PolarHBondContact O-OG 3.27Å | ||
| 63 | V | 96.7 | Very high | 96.5 | Very high | 11 Ų | 11 | 31 Ų | 31 | 7% | 0.067 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.9 | -42.3 | -174 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | Y26 E29 L30 L56 F61 S66 L67 | Y26-V63 HydrophobicContact CD1-CG2 3.76Å; E29-V63 HydrophobicContact CB-CG1 4.5Å; E29-V63 HydrophobicContact CG-CG1 4.1Å; L30-V63 HydrophobicContact CB-CG1 4.3Å; L30-V63 HydrophobicContact CD1-CG1 4.43Å; L56-V63 HydrophobicContact CD2-CG2 4.36Å; F61-V63 PolarHBondContact O-N 2.84Å; F61-V63 VanDerWaalsContact O-N 3.09Å; V63-S66 WeakPolarHBondContact O-CB 3.13Å; V63-S66 PolarHBondContact O-N 2.87Å; V63-L67 WeakPolarHBondContact O-CB 3.17Å; V63-L67 PolarHBondContact O-N 2.81Å |
| 64 | E | 96.8 | Very high | 96.2 | Very high | 100 Ų | 100 | 32.5 Ų | 32.5 | 47% | 0.467 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63 | -47.9 | -179.6 | -174.9 | 62.6 | -147.1 | 0 | 0 | 111.8 | R33 N62 S66 L67 K68 | R33-E64 IonicContact CZ-OE2 2.62Å; R33-E64 IonicContact NH1-OE2 3.62Å; R33-E64 PolarHBondContact NH1-OE2 3.25Å; R33-E64 IonicContact NH2-OE2 3.15Å; R33-E64 PolarHBondContact NH2-OE2 3.28Å; N62-E64 PolarHBondContact O-N 2.96Å; N62-E64 PolarHBondContact OD1-N 2.91Å; E64-S66 VanDerWaalsContact C-N 3.29Å; E64-S66 PolarHBondContact O-N 2.89Å; E64-L67 PolarHBondContact O-N 3.05Å; E64-K68 PolarHBondContact O-N 3.02Å; E64-K68 VanDerWaalsContact O-N 3.08Å |
| 65 | L | 97.3 | Very high | 95.9 | Very high | 84 Ų | 84 | 37.6 Ų | 37.6 | 44% | 0.44 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.8 | -32.9 | 176.8 | -65.8 | 179.2 | 0 | 0 | 0 | 112.1 | R59 N62 L69 | R59-L65 HydrophobicContact CB-CB 3.98Å; R59-L65 HydrophobicContact CG-CB 3.95Å; N62-L65 HydrophobicContact CB-CB 4.17Å; N62-L65 HydrophobicContact CB-CD1 4.1Å; N62-L65 HydrophobicContact CB-CG 4.3Å; N62-L65 PolarHBondContact O-N 3.21Å; N62-L65 WeakPolarHBondContact OD1-CG 3.24Å; N62-L65 PolarHBondContact OD1-N 2.82Å; L65-L69 WeakPolarHBondContact O-CB 3.34Å; L65-L69 PolarHBondContact O-N 3Å |
| 66 | S | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.8 | -43.4 | 177 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | F55 L56 N62 V63 E64 L69 L70 | F55-S66 PolarHBondContact O-OG 2.9Å; L56-S66 WeakPolarHBondContact CA-OG 3.32Å; N62-S66 WeakPolarHBondContact O-CB 3.05Å; N62-S66 PolarHBondContact O-N 3.1Å; N62-S66 PolarHBondContact O-OG 3.27Å; V63-S66 WeakPolarHBondContact O-CB 3.13Å; V63-S66 PolarHBondContact O-N 2.87Å; E64-S66 VanDerWaalsContact C-N 3.29Å; E64-S66 PolarHBondContact O-N 2.89Å; S66-L69 PolarHBondContact O-N 2.74Å; S66-L70 WeakPolarHBondContact O-CB 3.36Å; S66-L70 PolarHBondContact O-N 3.06Å |
| 67 | L | 95.8 | Very high | 95.4 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.6 | -47 | 175.6 | -178.3 | 64.5 | 0 | 0 | 0 | 111.1 | L30 R33 A34 V63 E64 L69 L70 F71 | L30-L67 HydrophobicContact CD1-CB 3.87Å; L30-L67 HydrophobicContact CD1-CD1 4.15Å; R33-L67 HydrophobicContact CB-CD2 4Å; A34-L67 HydrophobicContact CB-CD1 3.55Å; V63-L67 WeakPolarHBondContact O-CB 3.17Å; V63-L67 PolarHBondContact O-N 2.81Å; E64-L67 PolarHBondContact O-N 3.05Å; L67-L69 VanDerWaalsContact C-N 3.33Å; L67-L69 PolarHBondContact O-N 3.19Å; L67-L70 WeakPolarHBondContact O-CB 3.44Å; L67-L70 PolarHBondContact O-N 2.96Å; L67-F71 HydrophobicContact CD1-CD2 4.13Å; L67-F71 HydrophobicContact CD1-CE2 3.45Å; L67-F71 VanDerWaalsContact CD1-CE2 3.45Å; L67-F71 HydrophobicContact CD1-CZ 3.74Å; L67-F71 HydrophobicContact CD2-CE2 4.34Å; L67-F71 HydrophobicContact CG-CD2 4.13Å; L67-F71 HydrophobicContact CG-CE2 3.73Å; L67-F71 PolarHBondContact O-N 3.03Å; L67-F71 VanDerWaalsContact O-N 3.1Å |
| 68 | K | 96.4 | Very high | 95 | Very high | 125 Ų | 125 | 46.4 Ų | 46.4 | 54% | 0.543 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.2 | -45 | 175 | -177.1 | 177.1 | 178 | 179.3 | 0 | 112 | E64 F71 N72 | E64-K68 PolarHBondContact O-N 3.02Å; E64-K68 VanDerWaalsContact O-N 3.08Å; K68-F71 PolarHBondContact O-N 3.42Å; K68-N72 WeakPolarHBondContact O-CB 3.47Å; K68-N72 VanDerWaalsContact O-CG 3.26Å; K68-N72 PolarHBondContact O-N 2.89Å |
| 69 | L | 97.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -40.8 | 178 | 179.8 | 61 | 0 | 0 | 0 | 112.1 | F55 A58 R59 L65 S66 L67 N72 Y73 D185 P188 | F55-L69 HydrophobicContact CD1-CB 4.17Å; F55-L69 HydrophobicContact CD1-CD2 3.99Å; F55-L69 HydrophobicContact CD1-CG 3.73Å; F55-L69 HydrophobicContact CE1-CG 4.21Å; A58-L69 HydrophobicContact CB-CD2 3.72Å; R59-L69 HydrophobicContact CG-CD2 3.98Å; L65-L69 WeakPolarHBondContact O-CB 3.34Å; L65-L69 PolarHBondContact O-N 3Å; S66-L69 PolarHBondContact O-N 2.74Å; L67-L69 VanDerWaalsContact C-N 3.33Å; L67-L69 PolarHBondContact O-N 3.19Å; L69-N72 PolarHBondContact O-N 3.27Å; L69-Y73 WeakPolarHBondContact O-CB 3.4Å; L69-Y73 PolarHBondContact O-N 3.35Å; L69-D185 WeakPolarHBondContact CD1-O 3.34Å; L69-P188 HydrophobicContact CD2-CB 4.22Å |
| 70 | L | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.9 | -50.5 | 176.5 | 172.3 | 59.2 | 0 | 0 | 0 | 111.6 | A34 W47 F51 L52 F55 S66 L67 Y73 Q74 | A34-L70 HydrophobicContact CB-CD2 3.89Å; W47-L70 HydrophobicContact CH2-CD2 4.27Å; W47-L70 HydrophobicContact CZ2-CD2 4.13Å; F51-L70 HydrophobicContact CE1-CD1 3.55Å; F51-L70 HydrophobicContact CZ-CD1 3.87Å; L52-L70 HydrophobicContact CD2-CD2 3.89Å; F55-L70 HydrophobicContact CD1-CB 3.84Å; F55-L70 HydrophobicContact CD1-CD1 4.45Å; F55-L70 HydrophobicContact CD2-CD1 4.27Å; F55-L70 VanDerWaalsContact CE1-CA 3.44Å; F55-L70 HydrophobicContact CE1-CB 4.08Å; F55-L70 HydrophobicContact CE1-CD1 4.06Å; F55-L70 HydrophobicContact CE2-CD1 3.83Å; F55-L70 HydrophobicContact CG-CB 4.19Å; F55-L70 HydrophobicContact CZ-CD1 3.72Å; S66-L70 WeakPolarHBondContact O-CB 3.36Å; S66-L70 PolarHBondContact O-N 3.06Å; L67-L70 WeakPolarHBondContact O-CB 3.44Å; L67-L70 PolarHBondContact O-N 2.96Å; L70-Y73 PolarHBondContact O-N 3.38Å; L70-Q74 PolarHBondContact O-N 3.04Å; L70-Q74 VanDerWaalsContact O-N 3.08Å |
| 71 | F | 93.2 | Very high | 94.3 | Very high | 45 Ų | 45 | 47.9 Ų | 47.9 | 20% | 0.197 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.4 | -36.5 | 178.8 | -67.6 | -39.6 | 0 | 0 | 0 | 113.1 | A34 D37 W47 L67 K68 Q74 R75 | A34-F71 HydrophobicContact CB-CZ 4.32Å; D37-F71 HydrophobicContact CB-CE2 3.85Å; D37-F71 HydrophobicContact CB-CZ 3.69Å; W47-F71 HydrophobicContact CH2-CE1 4.18Å; L67-F71 HydrophobicContact CD1-CD2 4.13Å; L67-F71 HydrophobicContact CD1-CE2 3.45Å; L67-F71 VanDerWaalsContact CD1-CE2 3.45Å; L67-F71 HydrophobicContact CD1-CZ 3.74Å; L67-F71 HydrophobicContact CD2-CE2 4.34Å; L67-F71 HydrophobicContact CG-CD2 4.13Å; L67-F71 HydrophobicContact CG-CE2 3.73Å; L67-F71 PolarHBondContact O-N 3.03Å; L67-F71 VanDerWaalsContact O-N 3.1Å; K68-F71 PolarHBondContact O-N 3.42Å; F71-Q74 PolarHBondContact O-N 3.23Å; F71-R75 VanDerWaalsContact O-CB 3.28Å; F71-R75 WeakPolarHBondContact O-CB 3.5Å; F71-R75 PolarHBondContact O-N 2.88Å |
| 72 | N | 95.3 | Very high | 94.1 | Very high | 21 Ų | 21 | 50.4 Ų | 50.4 | 11% | 0.112 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | 173.1 | -80.1 | -5.3 | 0 | 0 | 0 | 111.8 | K68 L69 R75 W76 D185 | K68-N72 WeakPolarHBondContact O-CB 3.47Å; K68-N72 VanDerWaalsContact O-CG 3.26Å; K68-N72 PolarHBondContact O-N 2.89Å; L69-N72 PolarHBondContact O-N 3.27Å; N72-R75 PolarHBondContact O-N 3.04Å; N72-W76 VanDerWaalsContact O-CB 3.26Å; N72-W76 WeakPolarHBondContact O-CB 3.42Å; N72-W76 PolarHBondContact O-N 3.16Å; N72-D185 WeakPolarHBondContact CB-O 3.45Å; N72-D185 VanDerWaalsContact ND2-CG 3.33Å; N72-D185 PolarHBondContact ND2-O 3.42Å; N72-D185 PolarHBondContact ND2-OD2 3.23Å |
| 73 | Y | 94.8 | Very high | 94 | Very high | 7 Ų | 7 | 47 Ų | 47 | 3% | 0.027 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.4 | -50.4 | 174.9 | 167.3 | -96.4 | 0 | 0 | 0 | 111.3 | F51 F55 L69 L70 R75 W76 R77 E141 S186 F187 | F51-Y73 HydrophobicContact CE2-CE1 4.28Å; F51-Y73 HydrophobicContact CZ-CE1 4.22Å; F55-Y73 HydrophobicContact CE1-CD1 4.39Å; F55-Y73 HydrophobicContact CE1-CG 4.18Å; F55-Y73 AromaticContact CZ-CD1 3.91Å; F55-Y73 HydrophobicContact CZ-CD1 3.91Å; F55-Y73 HydrophobicContact CZ-CE1 4.48Å; F55-Y73 HydrophobicContact CZ-CG 4.08Å; L69-Y73 WeakPolarHBondContact O-CB 3.4Å; L69-Y73 PolarHBondContact O-N 3.35Å; L70-Y73 PolarHBondContact O-N 3.38Å; Y73-R75 PolarHBondContact O-N 2.78Å; Y73-W76 PolarHBondContact O-N 3.07Å; Y73-R77 HydrophobicContact CE2-CG 4.28Å; Y73-R77 WeakPolarHBondContact O-CG 3.31Å; Y73-R77 PolarHBondContact O-N 3.5Å; Y73-R77 WeakPolarHBondContact OH-CD 2.87Å; Y73-R77 PolarHBondContact OH-NH1 3.09Å; Y73-E141 WeakPolarHBondContact CE2-OE1 3.37Å; Y73-E141 PolarHBondContact OH-OE1 3.07Å; Y73-S186 VanDerWaalsContact CA-O 3.3Å; Y73-S186 WeakPolarHBondContact CA-O 3.47Å; Y73-S186 WeakPolarHBondContact CB-O 3.33Å; Y73-S186 WeakPolarHBondContact CD2-O 3.48Å; Y73-F187 HydrophobicContact CD2-CD2 4.03Å; Y73-F187 HydrophobicContact CD2-CE2 4.39Å; Y73-F187 AromaticContact CE2-CD2 3.92Å; Y73-F187 HydrophobicContact CE2-CD2 3.92Å; Y73-F187 AromaticContact CE2-CE2 3.83Å; Y73-F187 HydrophobicContact CE2-CE2 3.83Å |
| 74 | Q | 90.8 | Very high | 93.8 | Very high | 32 Ų | 32 | 46.4 Ų | 46.4 | 15% | 0.15 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.3 | -40 | 178.3 | -68.9 | -177 | -47.2 | 0 | 0 | 112.9 | L70 F71 R78 | L70-Q74 PolarHBondContact O-N 3.04Å; L70-Q74 VanDerWaalsContact O-N 3.08Å; F71-Q74 PolarHBondContact O-N 3.23Å; Q74-R78 PolarHBondContact O-N 2.88Å |
| 75 | R | 91.5 | Very high | 93.6 | Very high | 121 Ų | 121 | 42.7 Ų | 42.7 | 46% | 0.457 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.8 | -50.3 | 175.8 | -177.5 | -177 | -61.7 | 148 | 2.8 | 111 | F71 N72 Y73 R77 R78 E79 | F71-R75 VanDerWaalsContact O-CB 3.28Å; F71-R75 WeakPolarHBondContact O-CB 3.5Å; F71-R75 PolarHBondContact O-N 2.88Å; N72-R75 PolarHBondContact O-N 3.04Å; Y73-R75 PolarHBondContact O-N 2.78Å; R75-R77 VanDerWaalsContact C-N 3.26Å; R75-R77 PolarHBondContact O-N 2.97Å; R75-R78 PolarHBondContact O-N 2.63Å; R75-E79 VanDerWaalsContact CD-OE1 3.28Å; R75-E79 WeakPolarHBondContact CD-OE1 3.26Å; R75-E79 HydrophobicContact CG-CG 4.14Å; R75-E79 WeakPolarHBondContact CG-OE1 3.03Å; R75-E79 WeakPolarHBondContact O-CG 3.37Å; R75-E79 PolarHBondContact O-N 2.97Å |
| 76 | W | 93.6 | Very high | 93.5 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 5% | 0.049 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.3 | -41.5 | -179.4 | -178.5 | 88.1 | 0 | 0 | 0 | 111.5 | N72 Y73 R78 E79 C80 I83 L137 R178 S181 V182 | N72-W76 VanDerWaalsContact O-CB 3.26Å; N72-W76 WeakPolarHBondContact O-CB 3.42Å; N72-W76 PolarHBondContact O-N 3.16Å; Y73-W76 PolarHBondContact O-N 3.07Å; W76-R78 VanDerWaalsContact C-N 3.28Å; W76-R78 PolarHBondContact O-N 2.8Å; W76-E79 PolarHBondContact O-N 2.94Å; W76-C80 HydrophobicContact CD2-CB 4.5Å; W76-C80 HydrophobicContact CZ2-CB 4.24Å; W76-C80 WeakPolarHBondContact O-CB 3.43Å; W76-C80 PolarHBondContact O-N 3.24Å; W76-C80 PolarHBondContact O-SG 3.21Å; W76-I83 HydrophobicContact CH2-CB 4.31Å; W76-I83 HydrophobicContact CH2-CG2 3.96Å; W76-I83 HydrophobicContact CZ2-CD1 4.31Å; W76-L137 HydrophobicContact CH2-CD1 4.41Å; W76-L137 HydrophobicContact CH2-CD2 3.99Å; W76-L137 HydrophobicContact CZ3-CD1 4.05Å; W76-L137 HydrophobicContact CZ3-CD2 3.81Å; W76-R178 PolarHBondContact NE1-O 2.94Å; W76-S181 PolarHBondContact NE1-OG 2.83Å; W76-V182 HydrophobicContact CD2-CG2 3.93Å; W76-V182 HydrophobicContact CE3-CG2 4.44Å; W76-V182 HydrophobicContact CH2-CG2 3.92Å; W76-V182 HydrophobicContact CZ2-CG2 3.31Å; W76-V182 HydrophobicContact CZ3-CG2 4.43Å |
| 77 | R | 91.8 | Very high | 93.4 | Very high | 23 Ų | 23 | 41.2 Ų | 41.2 | 9% | 0.087 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.7 | -27.5 | 176.2 | -71 | -166.4 | 67.3 | -166 | -1 | 114.4 | Y73 R75 S84 L274 I276 | Y73-R77 HydrophobicContact CE2-CG 4.28Å; Y73-R77 WeakPolarHBondContact O-CG 3.31Å; Y73-R77 PolarHBondContact O-N 3.5Å; Y73-R77 WeakPolarHBondContact OH-CD 2.87Å; Y73-R77 PolarHBondContact OH-NH1 3.09Å; R75-R77 VanDerWaalsContact C-N 3.26Å; R75-R77 PolarHBondContact O-N 2.97Å; R77-S84 WeakPolarHBondContact CA-OG 3.37Å; R77-S84 PolarHBondContact NH2-O 2.84Å; R77-S84 PolarHBondContact O-OG 3.44Å; R77-L274 PolarHBondContact NH1-O 3.32Å; R77-L274 PolarHBondContact NH2-O 3.4Å; R77-I276 HydrophobicContact CB-CD1 3.88Å; R77-I276 VanDerWaalsContact NH2-CD1 3.3Å; R77-I276 VanDerWaalsContact NH2-CG1 3.32Å |
| 78 | R | 89.6 | Confident | 93.4 | Very high | 150 Ų | 150 | 43.2 Ų | 43.2 | 57% | 0.566 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -83.6 | -32.7 | 174.1 | -72 | -175.6 | -69 | 175.5 | -3.1 | 112.8 | Q74 R75 W76 P81 | Q74-R78 PolarHBondContact O-N 2.88Å; R75-R78 PolarHBondContact O-N 2.63Å; W76-R78 VanDerWaalsContact C-N 3.28Å; W76-R78 PolarHBondContact O-N 2.8Å; R78-P81 WeakPolarHBondContact O-CD 3.22Å |
| 79 | E | 89.9 | Confident | 93.4 | Very high | 115 Ų | 115 | 37.3 Ų | 37.3 | 54% | 0.537 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -83.6 | -13.4 | -179.1 | -70.1 | 177.9 | 178.3 | 0 | 0 | 113.3 | R75 W76 R178 | R75-E79 VanDerWaalsContact CD-OE1 3.28Å; R75-E79 WeakPolarHBondContact CD-OE1 3.26Å; R75-E79 HydrophobicContact CG-CG 4.14Å; R75-E79 WeakPolarHBondContact CG-OE1 3.03Å; R75-E79 WeakPolarHBondContact O-CG 3.37Å; R75-E79 PolarHBondContact O-N 2.97Å; W76-E79 PolarHBondContact O-N 2.94Å; E79-R178 PolarHBondContact O-NH2 3.08Å |
| 80 | C | 91.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | trans | -127.9 | 47 | -179.6 | -50.4 | 0 | 0 | 0 | 0 | 113.2 | W76 E82 I83 S84 R178 | W76-C80 HydrophobicContact CD2-CB 4.5Å; W76-C80 HydrophobicContact CZ2-CB 4.24Å; W76-C80 WeakPolarHBondContact O-CB 3.43Å; W76-C80 PolarHBondContact O-N 3.24Å; W76-C80 PolarHBondContact O-SG 3.21Å; C80-E82 VanDerWaalsContact CA-OE2 3.24Å; C80-E82 WeakPolarHBondContact CA-OE2 3.37Å; C80-E82 PolarHBondContact O-N 2.96Å; C80-E82 VanDerWaalsContact O-N 3.12Å; C80-I83 PolarHBondContact O-N 3.14Å; C80-S84 PolarHBondContact O-N 2.95Å; C80-S84 PolarHBondContact O-OG 3.03Å; C80-R178 WeakPolarHBondContact SG-CD 3.46Å; C80-R178 VanDerWaalsContact SG-CG 3.57Å; C80-R178 PolarHBondContact SG-NE 3.17Å | ||
| 81 | P | 92.9 | Very high | 93.4 | Very high | 66 Ų | 66 | 41.9 Ų | 41.9 | 43% | 0.429 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59 | -27.8 | -175.8 | 28 | -36.2 | 0 | 0 | 0 | 112.6 | R78 I83 S84 A85 | R78-P81 WeakPolarHBondContact O-CD 3.22Å; P81-I83 PolarHBondContact O-N 2.92Å; P81-I83 VanDerWaalsContact O-N 3.12Å; P81-S84 PolarHBondContact O-N 2.78Å; P81-A85 HydrophobicContact CB-CB 4.09Å; P81-A85 WeakPolarHBondContact O-CB 3.36Å; P81-A85 PolarHBondContact O-N 3.29Å |
| 82 | E | 92.9 | Very high | 93.6 | Very high | 60 Ų | 60 | 39.9 Ų | 39.9 | 28% | 0.28 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.1 | -17.8 | 173.5 | 69.2 | -87.5 | -139.4 | 0 | 0 | 113.3 | C80 Y130 R134 R178 | C80-E82 VanDerWaalsContact CA-OE2 3.24Å; C80-E82 WeakPolarHBondContact CA-OE2 3.37Å; C80-E82 PolarHBondContact O-N 2.96Å; C80-E82 VanDerWaalsContact O-N 3.12Å; E82-Y130 HydrophobicContact CG-CD1 3.43Å; E82-Y130 VanDerWaalsContact CG-CD1 3.43Å; E82-Y130 HydrophobicContact CG-CD2 4.49Å; E82-Y130 HydrophobicContact CG-CE1 3.67Å; E82-Y130 HydrophobicContact CG-CG 3.88Å; E82-R134 PolarHBondContact O-NH2 2.77Å; E82-R178 IonicContact OE1-CZ 3.5Å; E82-R178 IonicContact OE1-NH1 2.73Å; E82-R178 PolarHBondContact OE1-NH1 3.2Å; E82-R178 IonicContact OE1-NH2 3.78Å; E82-R178 PolarHBondContact OE1-NH2 3.08Å; E82-R178 IonicContact OE2-NH2 2.86Å |
| 83 | I | 93.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -105.7 | -45.1 | 171.7 | -56.6 | 172.2 | 0 | 0 | 0 | 110.4 | W76 C80 P81 Y130 F133 R134 L137 L175 | W76-I83 HydrophobicContact CH2-CB 4.31Å; W76-I83 HydrophobicContact CH2-CG2 3.96Å; W76-I83 HydrophobicContact CZ2-CD1 4.31Å; C80-I83 PolarHBondContact O-N 3.14Å; P81-I83 PolarHBondContact O-N 2.92Å; P81-I83 VanDerWaalsContact O-N 3.12Å; I83-Y130 HydrophobicContact CD1-CD1 4.12Å; I83-Y130 HydrophobicContact CG1-CD1 3.88Å; I83-F133 HydrophobicContact CD1-CB 3.92Å; I83-F133 HydrophobicContact CG1-CB 4.34Å; I83-F133 HydrophobicContact CG2-CB 4.07Å; I83-R134 HydrophobicContact CG2-CB 4.3Å; I83-R134 WeakPolarHBondContact O-CG 3.44Å; I83-R134 PolarHBondContact O-NE 2.84Å; I83-L137 HydrophobicContact CG2-CB 4.39Å; I83-L137 HydrophobicContact CG2-CD2 3.98Å; I83-L175 HydrophobicContact CD1-CD1 4.3Å |
| 84 | S | 92.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -102.5 | -8.1 | -162.2 | 53.8 | 0 | 0 | 0 | 0 | 116.8 | R77 C80 P81 | R77-S84 WeakPolarHBondContact CA-OG 3.37Å; R77-S84 PolarHBondContact NH2-O 2.84Å; R77-S84 PolarHBondContact O-OG 3.44Å; C80-S84 PolarHBondContact O-N 2.95Å; C80-S84 PolarHBondContact O-OG 3.03Å; P81-S84 PolarHBondContact O-N 2.78Å |
| 85 | A | 92.2 | Very high | 94.3 | Very high | 21 Ų | 21 | 40.6 Ų | 40.6 | 17% | 0.174 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -54.9 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | P81 S275 I276 | P81-A85 HydrophobicContact CB-CB 4.09Å; P81-A85 WeakPolarHBondContact O-CB 3.36Å; P81-A85 PolarHBondContact O-N 3.29Å; A85-S275 CarbonylContact O-C 3.59Å; A85-S275 VanDerWaalsContact O-CA 3.26Å; A85-S275 WeakPolarHBondContact O-CA 3.38Å; A85-S275 WeakPolarHBondContact O-CB 3.48Å; A85-I276 WeakPolarHBondContact CA-O 3.3Å; A85-I276 WeakPolarHBondContact CB-O 3.21Å; A85-I276 PolarHBondContact O-N 3.04Å |
| 86 | N | 95 | Very high | 94.6 | Very high | 53 Ų | 53 | 34.8 Ų | 34.8 | 28% | 0.283 | 18% | 0.184 | S | C | . | . | trans | -101.5 | 115.5 | 177.7 | -177.9 | 2.2 | 0 | 0 | 0 | 109.6 | Q88 R134 | N86-Q88 VanDerWaalsContact OD1-CB 3.27Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.46Å; N86-Q88 WeakPolarHBondContact OD1-CG 3.29Å; N86-Q88 PolarHBondContact OD1-N 3.22Å; N86-R134 WeakPolarHBondContact O-CD 3.47Å; N86-R134 PolarHBondContact O-NE 3.04Å | ||
| 87 | L | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -108 | 8.5 | 175 | -57.6 | -178.2 | 0 | 0 | 0 | 112.7 | R134 L137 I138 E141 L271 L274 S275 | L87-R134 HydrophobicContact CD2-CG 4.41Å; L87-L137 HydrophobicContact CD2-CD2 3.64Å; L87-L137 HydrophobicContact CD2-CG 3.98Å; L87-I138 HydrophobicContact CB-CG1 4.14Å; L87-I138 HydrophobicContact CD2-CG1 4.25Å; L87-I138 WeakPolarHBondContact O-CD1 3.27Å; L87-I138 WeakPolarHBondContact O-CG1 3.13Å; L87-E141 HydrophobicContact CD1-CG 4.25Å; L87-L271 HydrophobicContact CB-CB 4.36Å; L87-L271 HydrophobicContact CB-CD2 4.36Å; L87-L271 WeakPolarHBondContact O-CB 3.39Å; L87-L274 HydrophobicContact CD1-CB 3.94Å; L87-S275 PolarHBondContact N-OG 2.91Å | ||
| 88 | Q | 96.2 | Very high | 95 | Very high | 49 Ų | 49 | 42.2 Ų | 42.2 | 23% | 0.229 | 22% | 0.222 | C | C | . | . | trans | -64.1 | 138.1 | 179.8 | -65.5 | -173 | -28.6 | 0 | 0 | 111 | N86 S90 S91 T272 | N86-Q88 VanDerWaalsContact OD1-CB 3.27Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.46Å; N86-Q88 WeakPolarHBondContact OD1-CG 3.29Å; N86-Q88 PolarHBondContact OD1-N 3.22Å; Q88-S90 PolarHBondContact O-N 2.82Å; Q88-S91 WeakPolarHBondContact O-CB 3.4Å; Q88-S91 PolarHBondContact O-N 3.04Å; Q88-S91 PolarHBondContact O-OG 3.49Å; Q88-T272 PolarHBondContact NE2-OG1 3.45Å | ||
| 89 | P | 95.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -55.3 | -34.8 | 179 | -28.7 | 36.7 | 0 | 0 | 0 | 113.9 | S91 V92 L93 I264 L265 E268 L271 | P89-S91 PolarHBondContact O-N 3.27Å; P89-S91 VanDerWaalsContact O-N 3.13Å; P89-V92 CarbonylContact O-C 3.51Å; P89-V92 PolarHBondContact O-N 3.22Å; P89-L93 PolarHBondContact O-N 3.28Å; P89-I264 HydrophobicContact CB-CG2 3.77Å; P89-I264 HydrophobicContact CG-CG2 3.65Å; P89-L265 HydrophobicContact CB-CD2 3.79Å; P89-E268 HydrophobicContact CG-CB 4.18Å; P89-E268 HydrophobicContact CG-CG 4.47Å; P89-L271 HydrophobicContact CG-CD1 3.87Å |
| 90 | S | 96.8 | Very high | 95.9 | Very high | 75 Ų | 75 | 31.4 Ų | 31.4 | 52% | 0.524 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -54.2 | -31.3 | 178 | 58.7 | 0 | 0 | 0 | 0 | 113 | Q88 V92 | Q88-S90 PolarHBondContact O-N 2.82Å; S90-V92 PolarHBondContact O-N 2.77Å |
| 91 | S | 95.9 | Very high | 96.2 | Very high | 24 Ų | 24 | 31.3 Ų | 31.3 | 17% | 0.168 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -70.7 | -12.2 | 179.3 | 73.7 | 0 | 0 | 0 | 0 | 114.7 | Q88 P89 R134 | Q88-S91 WeakPolarHBondContact O-CB 3.4Å; Q88-S91 PolarHBondContact O-N 3.04Å; Q88-S91 PolarHBondContact O-OG 3.49Å; P89-S91 PolarHBondContact O-N 3.27Å; P89-S91 VanDerWaalsContact O-N 3.13Å; S91-R134 VanDerWaalsContact OG-CD 3.25Å; S91-R134 WeakPolarHBondContact OG-CD 3.15Å |
| 92 | V | 97.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -138.3 | 10.7 | -178.4 | -63.3 | 0 | 0 | 0 | 0 | 112.6 | P89 S90 G94 L95 L96 E131 R134 V135 I138 | P89-V92 CarbonylContact O-C 3.51Å; P89-V92 PolarHBondContact O-N 3.22Å; S90-V92 PolarHBondContact O-N 2.77Å; V92-G94 VanDerWaalsContact C-N 3.28Å; V92-G94 PolarHBondContact O-N 3.26Å; V92-L95 WeakPolarHBondContact O-CB 3.26Å; V92-L95 PolarHBondContact O-N 2.72Å; V92-L96 HydrophobicContact CG2-CD1 4.2Å; V92-L96 HydrophobicContact CG2-CG 4.36Å; V92-L96 PolarHBondContact O-N 3.44Å; V92-E131 HydrophobicContact CG1-CB 4.42Å; V92-R134 HydrophobicContact CG1-CB 4.14Å; V92-R134 HydrophobicContact CG1-CG 4.19Å; V92-V135 HydrophobicContact CB-CG2 3.71Å; V92-V135 HydrophobicContact CG1-CG2 3.92Å; V92-V135 HydrophobicContact CG2-CG2 3.99Å; V92-I138 HydrophobicContact CG2-CD1 3.76Å |
| 93 | L | 97.6 | Very high | 96.8 | Very high | 53 Ų | 53 | 25.7 Ų | 25.7 | 28% | 0.277 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -58.3 | -38.8 | -169.6 | -178.7 | 58.7 | 0 | 0 | 0 | 112.7 | P89 L95 L96 Q97 L265 | P89-L93 PolarHBondContact O-N 3.28Å; L93-L95 VanDerWaalsContact C-N 3.33Å; L93-L95 PolarHBondContact O-N 3.41Å; L93-L96 WeakPolarHBondContact O-CB 3.44Å; L93-L96 PolarHBondContact O-N 3.44Å; L93-L96 VanDerWaalsContact O-N 3.15Å; L93-Q97 HydrophobicContact CD1-CG 4.16Å; L93-Q97 HydrophobicContact CG-CG 4.27Å; L93-Q97 WeakPolarHBondContact O-CB 3.5Å; L93-Q97 WeakPolarHBondContact O-CG 3.4Å; L93-Q97 PolarHBondContact O-N 3.2Å; L93-L265 HydrophobicContact CD1-CD2 4.16Å |
| 94 | G | 98.2 | Very high | 97 | Very high | 22 Ų | 22 | 25.7 Ų | 25.7 | 23% | 0.227 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.9 | -34.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V92 Q97 N98 | V92-G94 VanDerWaalsContact C-N 3.28Å; V92-G94 PolarHBondContact O-N 3.26Å; G94-Q97 PolarHBondContact O-N 3.12Å; G94-N98 WeakPolarHBondContact O-CB 3.37Å; G94-N98 PolarHBondContact O-N 3.41Å; G94-N98 PolarHBondContact O-OD1 3.16Å |
| 95 | L | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.7 | -42 | 172.2 | -76 | 168.7 | 0 | 0 | 0 | 111.4 | V92 L93 N98 N99 Y100 W122 F127 E131 V132 V135 | V92-L95 WeakPolarHBondContact O-CB 3.26Å; V92-L95 PolarHBondContact O-N 2.72Å; L93-L95 VanDerWaalsContact C-N 3.33Å; L93-L95 PolarHBondContact O-N 3.41Å; L95-N98 PolarHBondContact O-N 3.18Å; L95-N99 PolarHBondContact O-N 3.34Å; L95-Y100 HydrophobicContact CD2-CG 4.32Å; L95-Y100 WeakPolarHBondContact O-CB 3.44Å; L95-Y100 PolarHBondContact O-N 2.88Å; L95-W122 HydrophobicContact CD2-CB 4.4Å; L95-F127 HydrophobicContact CD1-CB 4.09Å; L95-F127 HydrophobicContact CD1-CD1 4.04Å; L95-F127 HydrophobicContact CD1-CG 3.96Å; L95-F127 HydrophobicContact CD2-CB 3.99Å; L95-F127 HydrophobicContact CD2-CD1 4.35Å; L95-F127 HydrophobicContact CD2-CD2 3.44Å; L95-F127 VanDerWaalsContact CD2-CD2 3.44Å; L95-F127 HydrophobicContact CD2-CE2 4Å; L95-F127 HydrophobicContact CD2-CG 3.65Å; L95-F127 HydrophobicContact CG-CB 4.12Å; L95-F127 HydrophobicContact CG-CD1 3.72Å; L95-F127 HydrophobicContact CG-CD2 3.7Å; L95-F127 HydrophobicContact CG-CE1 4.05Å; L95-F127 HydrophobicContact CG-CE2 4.02Å; L95-F127 HydrophobicContact CG-CG 3.54Å; L95-F127 HydrophobicContact CG-CZ 4.2Å; L95-E131 HydrophobicContact CD1-CB 4.15Å; L95-V132 HydrophobicContact CD1-CG2 3.97Å; L95-V132 HydrophobicContact CD2-CG2 4.39Å; L95-V135 HydrophobicContact CB-CG2 4.3Å; L95-V135 HydrophobicContact CD1-CG2 3.97Å |
| 96 | L | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 177.9 | -59.9 | 178.8 | 0 | 0 | 0 | 111 | V92 L93 N98 N99 V135 T261 I264 | V92-L96 HydrophobicContact CG2-CD1 4.2Å; V92-L96 HydrophobicContact CG2-CG 4.36Å; V92-L96 PolarHBondContact O-N 3.44Å; L93-L96 WeakPolarHBondContact O-CB 3.44Å; L93-L96 PolarHBondContact O-N 3.44Å; L93-L96 VanDerWaalsContact O-N 3.15Å; L96-N98 VanDerWaalsContact C-N 3.33Å; L96-N98 PolarHBondContact O-N 3.2Å; L96-N99 WeakPolarHBondContact O-CA 3.48Å; L96-N99 PolarHBondContact O-N 3.17Å; L96-V135 HydrophobicContact CD2-CG1 4.16Å; L96-T261 HydrophobicContact CB-CG2 3.83Å; L96-T261 HydrophobicContact CD1-CG2 4.37Å; L96-I264 HydrophobicContact CD1-CB 4.44Å; L96-I264 HydrophobicContact CD1-CD1 4.09Å; L96-I264 HydrophobicContact CD1-CG2 3.98Å; L96-I264 HydrophobicContact CD2-CD1 3.85Å |
| 97 | Q | 97.6 | Very high | 97.6 | Very high | 130 Ų | 130 | 38.9 Ų | 38.9 | 61% | 0.607 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -66.8 | -32 | 176 | -71.8 | 175.6 | -26.2 | 0 | 0 | 113.1 | L93 G94 N99 | L93-Q97 HydrophobicContact CD1-CG 4.16Å; L93-Q97 HydrophobicContact CG-CG 4.27Å; L93-Q97 WeakPolarHBondContact O-CB 3.5Å; L93-Q97 WeakPolarHBondContact O-CG 3.4Å; L93-Q97 PolarHBondContact O-N 3.2Å; G94-Q97 PolarHBondContact O-N 3.12Å; Q97-N99 PolarHBondContact O-N 2.99Å; Q97-N99 VanDerWaalsContact O-N 3.12Å |
| 98 | N | 97.8 | Very high | 97.6 | Very high | 61 Ų | 61 | 39.3 Ų | 39.3 | 33% | 0.326 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 5.1 | 169.3 | -72.3 | -3.3 | 0 | 0 | 0 | 112.5 | G94 L95 L96 Y100 Q121 | G94-N98 WeakPolarHBondContact O-CB 3.37Å; G94-N98 PolarHBondContact O-N 3.41Å; G94-N98 PolarHBondContact O-OD1 3.16Å; L95-N98 PolarHBondContact O-N 3.18Å; L96-N98 VanDerWaalsContact C-N 3.33Å; L96-N98 PolarHBondContact O-N 3.2Å; N98-Y100 PolarHBondContact O-N 3.17Å; N98-Q121 VanDerWaalsContact O-CB 3.27Å; N98-Q121 WeakPolarHBondContact O-CB 3.39Å; N98-Q121 WeakPolarHBondContact O-CG 3.42Å; N98-Q121 PolarHBondContact O-OE1 2.89Å |
| 99 | N | 98 | Very high | 97.6 | Very high | 35 Ų | 35 | 44.2 Ų | 44.2 | 19% | 0.187 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 28.2 | 172.7 | -97.5 | -7.2 | 0 | 0 | 0 | 110.6 | L95 L96 Q97 H101 R118 C257 | L95-N99 PolarHBondContact O-N 3.34Å; L96-N99 WeakPolarHBondContact O-CA 3.48Å; L96-N99 PolarHBondContact O-N 3.17Å; Q97-N99 PolarHBondContact O-N 2.99Å; Q97-N99 VanDerWaalsContact O-N 3.12Å; N99-H101 PolarHBondContact O-N 3.49Å; N99-R118 PolarHBondContact O-NE 2.69Å; N99-R118 PolarHBondContact O-NH2 3.24Å; N99-C257 HydrophobicContact CB-CB 4.22Å; N99-C257 PolarHBondContact O-SG 3.36Å; N99-C257 WeakPolarHBondContact OD1-CB 3.2Å |
| 100 | Y | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | trans | -65.3 | -38 | -176.4 | 170.1 | -106.9 | 0 | 0 | 0 | 113.5 | L95 N98 Y117 R118 I119 W122 V132 V135 | L95-Y100 HydrophobicContact CD2-CG 4.32Å; L95-Y100 WeakPolarHBondContact O-CB 3.44Å; L95-Y100 PolarHBondContact O-N 2.88Å; N98-Y100 PolarHBondContact O-N 3.17Å; Y100-Y117 AromaticContact CE1-CD1 3.76Å; Y100-Y117 HydrophobicContact CE1-CD1 3.76Å; Y100-Y117 HydrophobicContact CE1-CE1 4.42Å; Y100-Y117 AromaticContact CZ-CD1 3.91Å; Y100-R118 VanDerWaalsContact CD2-O 3.24Å; Y100-R118 WeakPolarHBondContact CD2-O 3.32Å; Y100-R118 PolarHBondContact O-N 3.12Å; Y100-I119 HydrophobicContact CE2-CD1 4.42Å; Y100-W122 HydrophobicContact CD2-CB 3.94Å; Y100-W122 HydrophobicContact CE2-CB 3.95Å; Y100-V132 HydrophobicContact CE1-CG1 4.03Å; Y100-V132 WeakPolarHBondContact OH-CG1 3.41Å; Y100-V135 HydrophobicContact CD1-CG1 4.27Å; Y100-V135 HydrophobicContact CE1-CB 4.49Å; Y100-V135 HydrophobicContact CE1-CG1 4.34Å | ||
| 101 | H | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 144.5 | -169.9 | 175 | 53.7 | 0 | 0 | 0 | 111.4 | N99 I116 Y117 V135 T139 C257 W260 | N99-H101 PolarHBondContact O-N 3.49Å; H101-I116 WeakPolarHBondContact CA-O 3.39Å; H101-I116 PolarHBondContact ND1-O 3.09Å; H101-Y117 HydrophobicContact CB-CD1 4.13Å; H101-Y117 HydrophobicContact CB-CE1 4.32Å; H101-Y117 AromaticContact CE1-CE1 3.7Å; H101-Y117 AromaticContact CE1-CZ 3.65Å; H101-Y117 AromaticContact CG-CD1 3.92Å; H101-Y117 AromaticContact CG-CE1 3.71Å; H101-Y117 AromaticContact ND1-CD1 3.44Å; H101-Y117 WeakPolarHBondContact ND1-CD1 3.39Å; H101-Y117 AromaticContact ND1-CE1 3.24Å; H101-Y117 WeakPolarHBondContact ND1-CE1 3.24Å; H101-Y117 AromaticContact ND1-CG 3.98Å; H101-Y117 AromaticContact ND1-CZ 3.61Å; H101-V135 HydrophobicContact CB-CG1 3.74Å; H101-T139 PolarHBondContact CD2-OG1 2.99Å; H101-T139 WeakPolarHBondContact NE2-CG2 3.22Å; H101-T139 PolarHBondContact NE2-OG1 3.32Å; H101-C257 VanDerWaalsContact C-SG 3.56Å; H101-C257 PolarHBondContact O-SG 3.27Å; H101-W260 AromaticContact CD2-CD1 3.49Å; H101-W260 VanDerWaalsContact CD2-CD1 3.49Å; H101-W260 AromaticContact CD2-NE1 3.52Å; H101-W260 AromaticContact NE2-CD1 3.56Å; H101-W260 AromaticContact NE2-NE1 3.26Å; H101-W260 PolarHBondContact NE2-NE1 3.2Å |
| 102 | G | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 164.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | I116 | G102-I116 PolarHBondContact N-O 3.15Å; G102-I116 PolarHBondContact O-N 3.17Å |
| 103 | V | 98.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 5% | 0.048 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126 | 177.8 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | R113 V114 L115 T139 W260 | V103-R113 HydrophobicContact CG1-CG 3.85Å; V103-R113 VanDerWaalsContact CG1-CZ 3.5Å; V103-R113 VanDerWaalsContact CG1-NE 3.3Å; V103-V114 WeakPolarHBondContact CA-O 3.32Å; V103-V114 WeakPolarHBondContact CG1-O 3.31Å; V103-L115 HydrophobicContact CG2-CG 4.22Å; V103-T139 HydrophobicContact CG2-CG2 3.82Å; V103-W260 HydrophobicContact CB-CD2 3.65Å; V103-W260 HydrophobicContact CB-CE3 3.68Å; V103-W260 HydrophobicContact CB-CG 4.09Å; V103-W260 HydrophobicContact CB-CH2 4.49Å; V103-W260 HydrophobicContact CB-CZ2 4.47Å; V103-W260 HydrophobicContact CB-CZ3 4.1Å; V103-W260 HydrophobicContact CG1-CE3 4.44Å; V103-W260 HydrophobicContact CG1-CZ3 4.42Å; V103-W260 HydrophobicContact CG2-CD2 3.44Å; V103-W260 VanDerWaalsContact CG2-CD2 3.44Å; V103-W260 HydrophobicContact CG2-CE3 3.92Å; V103-W260 HydrophobicContact CG2-CG 3.85Å; V103-W260 HydrophobicContact CG2-CH2 4.18Å; V103-W260 HydrophobicContact CG2-CZ2 3.74Å; V103-W260 HydrophobicContact CG2-CZ3 4.25Å |
| 104 | L | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | trans | -61.8 | 143.4 | -179.6 | -58.9 | -175.2 | 0 | 0 | 0 | 109.9 | D106 R113 V114 I116 I241 L242 P243 V256 | L104-D106 VanDerWaalsContact C-N 3.34Å; L104-R113 PolarHBondContact O-NH1 3.39Å; L104-R113 PolarHBondContact O-NH2 3.04Å; L104-V114 HydrophobicContact CB-CB 4.2Å; L104-V114 HydrophobicContact CD1-CB 3.74Å; L104-V114 HydrophobicContact CD1-CG1 3.54Å; L104-V114 HydrophobicContact CD1-CG2 4.48Å; L104-V114 HydrophobicContact CG-CB 4.05Å; L104-V114 HydrophobicContact CG-CG1 4.08Å; L104-V114 PolarHBondContact N-O 2.87Å; L104-I116 HydrophobicContact CD1-CD1 4.35Å; L104-I116 HydrophobicContact CD2-CD1 3.72Å; L104-I116 HydrophobicContact CD2-CG1 4.43Å; L104-I116 HydrophobicContact CG-CD1 4.15Å; L104-I116 HydrophobicContact CG-CG1 4.49Å; L104-I241 HydrophobicContact CD1-CD1 4.49Å; L104-I241 HydrophobicContact CD1-CG1 4.41Å; L104-I241 WeakPolarHBondContact CD1-O 3.49Å; L104-L242 HydrophobicContact CD1-CD2 4.36Å; L104-P243 HydrophobicContact CD2-CG 3.9Å; L104-V256 HydrophobicContact CD2-CG1 4.05Å; L104-V256 HydrophobicContact CD2-CG2 4.03Å | ||
| 105 | R | 95.9 | Very high | 97.9 | Very high | 209 Ų | 209 | 40.9 Ų | 40.9 | 79% | 0.789 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -61 | -48.9 | 177.5 | 179.7 | -179.3 | 176.7 | 179.1 | -1.5 | 110.4 | R113 | R105-R113 PolarHBondContact O-NH1 2.89Š|
| 106 | D | 97.6 | Very high | 98 | Very high | 79 Ų | 79 | 40.9 Ų | 40.9 | 42% | 0.422 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -89.7 | 158.6 | -177.3 | -58.8 | -47.7 | 0 | 0 | 0 | 111.7 | L104 I241 | L104-D106 VanDerWaalsContact C-N 3.34Å; D106-I241 HydrophobicContact CB-CB 4.28Å; D106-I241 HydrophobicContact CB-CG2 3.63Å |
| 107 | R | 98.3 | Very high | 98 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 24% | 0.242 | 20% | 0.202 | C | C | . | . | trans | -91.3 | 161.7 | 177.2 | -69.1 | 169 | 179 | -69.1 | -11.6 | 109.5 | G111 S112 E146 T149 | R107-G111 VanDerWaalsContact CD-O 3.26Å; R107-G111 WeakPolarHBondContact CD-O 3.46Å; R107-G111 PolarHBondContact NH1-O 3.04Å; R107-S112 WeakPolarHBondContact CA-O 3.45Å; R107-S112 WeakPolarHBondContact CB-O 3.4Å; R107-E146 IonicContact CZ-OE2 3.9Å; R107-E146 IonicContact NH2-OE2 3.61Å; R107-E146 PolarHBondContact NH2-OE2 3.38Å; R107-T149 PolarHBondContact NH1-OG1 2.9Å; R107-T149 PolarHBondContact NH2-OG1 3.49Å | ||
| 108 | D | 97.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.048 | 18% | 0.179 | C | C | . | . | trans | -69.8 | 175.6 | 169.4 | 83.7 | -10.1 | 0 | 0 | 0 | 112 | S110 G111 S112 V114 K155 F237 I241 | D108-S110 VanDerWaalsContact CG-OG 3.23Å; D108-S110 PolarHBondContact O-N 2.91Å; D108-S110 VanDerWaalsContact OD1-CA 3.32Å; D108-S110 WeakPolarHBondContact OD1-CA 3.45Å; D108-S110 WeakPolarHBondContact OD1-CB 3.42Å; D108-S110 PolarHBondContact OD1-N 2.85Å; D108-S110 PolarHBondContact OD1-OG 3.02Å; D108-S110 PolarHBondContact OD2-OG 3.24Å; D108-G111 PolarHBondContact O-N 3.24Å; D108-G111 PolarHBondContact OD1-N 2.9Å; D108-S112 PolarHBondContact N-O 3.1Å; D108-S112 VanDerWaalsContact N-O 3.07Å; D108-S112 VanDerWaalsContact OD1-CB 3.31Å; D108-S112 WeakPolarHBondContact OD1-CB 3.38Å; D108-S112 PolarHBondContact OD1-N 3.33Å; D108-V114 HydrophobicContact CB-CG2 4.07Å; D108-K155 VanDerWaalsContact OD2-CD 3.26Å; D108-K155 WeakPolarHBondContact OD2-CD 3.45Å; D108-K155 WeakPolarHBondContact OD2-CE 3.28Å; D108-K155 IonicContact OD2-NZ 3.75Å; D108-K155 PolarHBondContact OD2-NZ 3.16Å; D108-F237 HydrophobicContact CB-CD1 4.13Å; D108-I241 HydrophobicContact CB-CD1 4.26Å | ||
| 109 | L | 95.8 | Very high | 98.1 | Very high | 152 Ų | 152 | 34.3 Ų | 34.3 | 80% | 0.796 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -21.3 | 179.2 | -66.6 | 175 | 0 | 0 | 0 | 114.1 | S238 | L109-S238 WeakPolarHBondContact CD2-OG 3.49Å; L109-S238 WeakPolarHBondContact CG-OG 3.29Å |
| 110 | S | 96.3 | Very high | 98 | Very high | 64 Ų | 64 | 34.6 Ų | 34.6 | 45% | 0.448 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 1.6 | 176.8 | 73.5 | 0 | 0 | 0 | 0 | 113.5 | D108 S112 N152 | D108-S110 VanDerWaalsContact CG-OG 3.23Å; D108-S110 PolarHBondContact O-N 2.91Å; D108-S110 VanDerWaalsContact OD1-CA 3.32Å; D108-S110 WeakPolarHBondContact OD1-CA 3.45Å; D108-S110 WeakPolarHBondContact OD1-CB 3.42Å; D108-S110 PolarHBondContact OD1-N 2.85Å; D108-S110 PolarHBondContact OD1-OG 3.02Å; D108-S110 PolarHBondContact OD2-OG 3.24Å; S110-S112 VanDerWaalsContact C-N 3.3Å; S110-S112 PolarHBondContact OG-OG 3.11Å; S110-N152 WeakPolarHBondContact O-CB 3.46Å |
| 111 | G | 97.6 | Very high | 98 | Very high | 16 Ų | 16 | 38.3 Ų | 38.3 | 17% | 0.165 | 20% | 0.195 | C | C | . | . | trans | 79.3 | 8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R107 D108 N152 | R107-G111 VanDerWaalsContact CD-O 3.26Å; R107-G111 WeakPolarHBondContact CD-O 3.46Å; R107-G111 PolarHBondContact NH1-O 3.04Å; D108-G111 PolarHBondContact O-N 3.24Å; D108-G111 PolarHBondContact OD1-N 2.9Å; G111-N152 VanDerWaalsContact C-CB 3.46Å; G111-N152 WeakPolarHBondContact O-CB 3.46Å | ||
| 112 | S | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -70.7 | 139.2 | 178.7 | -61.9 | 0 | 0 | 0 | 0 | 110.8 | R107 D108 S110 N152 G153 | R107-S112 WeakPolarHBondContact CA-O 3.45Å; R107-S112 WeakPolarHBondContact CB-O 3.4Å; D108-S112 PolarHBondContact N-O 3.1Å; D108-S112 VanDerWaalsContact N-O 3.07Å; D108-S112 VanDerWaalsContact OD1-CB 3.31Å; D108-S112 WeakPolarHBondContact OD1-CB 3.38Å; D108-S112 PolarHBondContact OD1-N 3.33Å; S110-S112 VanDerWaalsContact C-N 3.3Å; S110-S112 PolarHBondContact OG-OG 3.11Å; S112-N152 PolarHBondContact OG-O 3.45Å; S112-G153 VanDerWaalsContact CA-O 3.32Å; S112-G153 WeakPolarHBondContact CA-O 3.48Å | ||
| 113 | R | 98.7 | Very high | 97.9 | Very high | 24 Ų | 24 | 41.7 Ų | 41.7 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 137.8 | 169.5 | -161.5 | 66.6 | 173.3 | 142.5 | 6 | 109.5 | V103 L104 R105 L115 I143 E146 T149 G153 L154 K155 | V103-R113 HydrophobicContact CG1-CG 3.85Å; V103-R113 VanDerWaalsContact CG1-CZ 3.5Å; V103-R113 VanDerWaalsContact CG1-NE 3.3Å; L104-R113 PolarHBondContact O-NH1 3.39Å; L104-R113 PolarHBondContact O-NH2 3.04Å; R105-R113 PolarHBondContact O-NH1 2.89Å; R113-L115 HydrophobicContact CG-CD1 4.47Å; R113-I143 HydrophobicContact CG-CB 4.32Å; R113-I143 HydrophobicContact CG-CD1 4.37Å; R113-I143 HydrophobicContact CG-CG2 4.1Å; R113-E146 WeakPolarHBondContact CD-OE2 3.48Å; R113-E146 IonicContact CZ-OE1 2.81Å; R113-E146 IonicContact NE-OE1 2.69Å; R113-E146 PolarHBondContact NE-OE1 2.7Å; R113-E146 IonicContact NE-OE2 2.64Å; R113-T149 HydrophobicContact CB-CG2 4.09Å; R113-G153 PolarHBondContact N-O 3.06Å; R113-L154 HydrophobicContact CB-CB 4.32Å; R113-L154 CarbonylContact O-C 3.54Å; R113-L154 WeakPolarHBondContact O-CA 3.47Å; R113-L154 WeakPolarHBondContact O-CB 3.27Å; R113-K155 PolarHBondContact O-N 2.74Å |
| 114 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.6 | -176.2 | -172.5 | 0 | 0 | 0 | 0 | 110.7 | V103 L104 D108 K155 I157 F237 I241 | V103-V114 WeakPolarHBondContact CA-O 3.32Å; V103-V114 WeakPolarHBondContact CG1-O 3.31Å; L104-V114 HydrophobicContact CB-CB 4.2Å; L104-V114 HydrophobicContact CD1-CB 3.74Å; L104-V114 HydrophobicContact CD1-CG1 3.54Å; L104-V114 HydrophobicContact CD1-CG2 4.48Å; L104-V114 HydrophobicContact CG-CB 4.05Å; L104-V114 HydrophobicContact CG-CG1 4.08Å; L104-V114 PolarHBondContact N-O 2.87Å; D108-V114 HydrophobicContact CB-CG2 4.07Å; V114-K155 WeakPolarHBondContact CA-O 3.39Å; V114-I157 HydrophobicContact CG1-CD1 4.12Å; V114-I157 HydrophobicContact CG1-CG1 4.48Å; V114-F237 HydrophobicContact CB-CE1 4.45Å; V114-F237 HydrophobicContact CG1-CD1 4.14Å; V114-F237 HydrophobicContact CG1-CE1 3.71Å; V114-F237 HydrophobicContact CG1-CZ 4.39Å; V114-F237 HydrophobicContact CG2-CD1 4.03Å; V114-F237 HydrophobicContact CG2-CE1 3.84Å; V114-I241 HydrophobicContact CG2-CD1 4.38Å |
| 115 | L | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 143.2 | -178.9 | -63.1 | 76.5 | 0 | 0 | 0 | 109.1 | V103 R113 Y117 T139 I143 L154 K155 A156 I157 | V103-L115 HydrophobicContact CG2-CG 4.22Å; R113-L115 HydrophobicContact CG-CD1 4.47Å; L115-Y117 HydrophobicContact CB-CE2 3.94Å; L115-Y117 HydrophobicContact CD2-CE2 4.29Å; L115-Y117 WeakPolarHBondContact CD2-OH 3.16Å; L115-T139 HydrophobicContact CD2-CG2 3.61Å; L115-T139 HydrophobicContact CG-CG2 4.33Å; L115-I143 HydrophobicContact CD1-CD1 4Å; L115-I143 HydrophobicContact CD2-CD1 4.19Å; L115-L154 HydrophobicContact CD1-CB 3.75Å; L115-L154 HydrophobicContact CD1-CD1 4.06Å; L115-L154 HydrophobicContact CD1-CD2 4.32Å; L115-L154 HydrophobicContact CD1-CG 4.26Å; L115-K155 PolarHBondContact N-O 3.33Å; L115-A156 HydrophobicContact CB-CB 4.44Å; L115-A156 CarbonylContact O-C 3.55Å; L115-A156 WeakPolarHBondContact O-CA 3.42Å; L115-I157 PolarHBondContact O-N 2.93Å |
| 116 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.2 | 175.7 | -54.2 | -172.3 | 0 | 0 | 0 | 109.7 | H101 G102 L104 I157 P243 Y246 M253 | H101-I116 WeakPolarHBondContact CA-O 3.39Å; H101-I116 PolarHBondContact ND1-O 3.09Å; G102-I116 PolarHBondContact N-O 3.15Å; G102-I116 PolarHBondContact O-N 3.17Å; L104-I116 HydrophobicContact CD1-CD1 4.35Å; L104-I116 HydrophobicContact CD2-CD1 3.72Å; L104-I116 HydrophobicContact CD2-CG1 4.43Å; L104-I116 HydrophobicContact CG-CD1 4.15Å; L104-I116 HydrophobicContact CG-CG1 4.49Å; I116-I157 CarbonylContact C-O 3.54Å; I116-I157 WeakPolarHBondContact CA-O 3.39Å; I116-I157 HydrophobicContact CD1-CD1 4.37Å; I116-I157 HydrophobicContact CG1-CB 4.25Å; I116-I157 HydrophobicContact CG1-CD1 4.31Å; I116-P243 HydrophobicContact CD1-CG 3.95Å; I116-Y246 HydrophobicContact CD1-CD2 4.02Å; I116-Y246 HydrophobicContact CD1-CE2 3.98Å; I116-Y246 HydrophobicContact CG2-CE2 3.8Å; I116-M253 HydrophobicContact CB-CE 4.09Å; I116-M253 HydrophobicContact CB-SD 4.32Å; I116-M253 HydrophobicContact CD1-SD 3.81Å; I116-M253 HydrophobicContact CG2-CE 3.71Å; I116-M253 HydrophobicContact CG2-SD 4.01Å |
| 117 | Y | 98.8 | Very high | 97.7 | Very high | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.027 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129.2 | 175.5 | -60.7 | -87.3 | 0 | 0 | 0 | 109.7 | Y100 H101 L115 S136 A156 I157 F158 D159 | Y100-Y117 AromaticContact CE1-CD1 3.76Å; Y100-Y117 HydrophobicContact CE1-CD1 3.76Å; Y100-Y117 HydrophobicContact CE1-CE1 4.42Å; Y100-Y117 AromaticContact CZ-CD1 3.91Å; H101-Y117 HydrophobicContact CB-CD1 4.13Å; H101-Y117 HydrophobicContact CB-CE1 4.32Å; H101-Y117 AromaticContact CE1-CE1 3.7Å; H101-Y117 AromaticContact CE1-CZ 3.65Å; H101-Y117 AromaticContact CG-CD1 3.92Å; H101-Y117 AromaticContact CG-CE1 3.71Å; H101-Y117 AromaticContact ND1-CD1 3.44Å; H101-Y117 WeakPolarHBondContact ND1-CD1 3.39Å; H101-Y117 AromaticContact ND1-CE1 3.24Å; H101-Y117 WeakPolarHBondContact ND1-CE1 3.24Å; H101-Y117 AromaticContact ND1-CG 3.98Å; H101-Y117 AromaticContact ND1-CZ 3.61Å; L115-Y117 HydrophobicContact CB-CE2 3.94Å; L115-Y117 HydrophobicContact CD2-CE2 4.29Å; L115-Y117 WeakPolarHBondContact CD2-OH 3.16Å; Y117-S136 VanDerWaalsContact CE1-OG 3.26Å; Y117-S136 WeakPolarHBondContact CE1-OG 3.26Å; Y117-S136 PolarHBondContact OH-OG 2.81Å; Y117-A156 HydrophobicContact CE2-CB 4.27Å; Y117-I157 PolarHBondContact N-O 2.6Å; Y117-F158 HydrophobicContact CD1-CE1 4.49Å; Y117-F158 AromaticContact CD2-CD1 3.98Å; Y117-F158 HydrophobicContact CD2-CD1 3.98Å; Y117-F158 AromaticContact CD2-CE1 3.53Å; Y117-F158 HydrophobicContact CD2-CE1 3.53Å; Y117-F158 HydrophobicContact CD2-CE2 4.22Å; Y117-F158 HydrophobicContact CD2-CG 4.49Å; Y117-F158 AromaticContact CD2-CZ 3.67Å; Y117-F158 HydrophobicContact CD2-CZ 3.67Å; Y117-F158 HydrophobicContact CE2-CE1 4.18Å; Y117-F158 AromaticContact CE2-CZ 3.95Å; Y117-F158 HydrophobicContact CE2-CZ 3.95Å; Y117-F158 HydrophobicContact CG-CD1 4.04Å; Y117-F158 AromaticContact CG-CE1 3.71Å; Y117-F158 HydrophobicContact CG-CE1 3.71Å; Y117-F158 HydrophobicContact CG-CZ 4.3Å; Y117-D159 PolarHBondContact O-N 3.21Å |
| 118 | R | 98.6 | Very high | 97.6 | Very high | 36 Ų | 36 | 43.8 Ų | 43.8 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 99 | -180 | -64.2 | -166.8 | -70.2 | -166.4 | -22.9 | 110.6 | N99 Y100 G120 Q121 D159 Y246 M253 C257 | N99-R118 PolarHBondContact O-NE 2.69Å; N99-R118 PolarHBondContact O-NH2 3.24Å; Y100-R118 VanDerWaalsContact CD2-O 3.24Å; Y100-R118 WeakPolarHBondContact CD2-O 3.32Å; Y100-R118 PolarHBondContact O-N 3.12Å; R118-G120 VanDerWaalsContact C-N 3.26Å; R118-G120 PolarHBondContact O-N 3.07Å; R118-Q121 HydrophobicContact CB-CB 4.4Å; R118-Q121 HydrophobicContact CB-CG 3.85Å; R118-Q121 WeakPolarHBondContact O-CB 3.43Å; R118-Q121 PolarHBondContact O-N 3.18Å; R118-D159 HydrophobicContact CG-CB 4.39Å; R118-Y246 WeakPolarHBondContact CD-OH 3.39Å; R118-Y246 WeakPolarHBondContact CG-OH 3.44Å; R118-M253 HydrophobicContact CG-CE 4.07Å; R118-C257 PolarHBondContact NH2-SG 3.1Å |
| 119 | I | 97.8 | Very high | 97.5 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 5% | 0.046 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -58.6 | -38.7 | -175.4 | -63 | -49.3 | 0 | 0 | 0 | 112 | Y100 Q121 W122 D159 M160 W163 | Y100-I119 HydrophobicContact CE2-CD1 4.42Å; I119-Q121 PolarHBondContact O-N 2.82Å; I119-W122 WeakPolarHBondContact O-CB 3.35Å; I119-W122 PolarHBondContact O-N 2.81Å; I119-D159 WeakPolarHBondContact CB-O 3.27Å; I119-D159 WeakPolarHBondContact CG1-O 3.04Å; I119-D159 PolarHBondContact N-O 3.01Å; I119-M160 HydrophobicContact CD1-SD 4.41Å; I119-M160 HydrophobicContact CG1-CE 4.24Å; I119-M160 HydrophobicContact CG1-SD 3.62Å; I119-W163 HydrophobicContact CG2-CB 4.04Å; I119-W163 HydrophobicContact CG2-CD2 4.49Å; I119-W163 HydrophobicContact CG2-CE3 3.72Å |
| 120 | G | 97.3 | Very high | 97.5 | Very high | 41 Ų | 41 | 39.3 Ų | 39.3 | 42% | 0.423 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -61.7 | -13.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R118 Q161 | R118-G120 VanDerWaalsContact C-N 3.26Å; R118-G120 PolarHBondContact O-N 3.07Å; G120-Q161 VanDerWaalsContact CA-O 3.24Å; G120-Q161 WeakPolarHBondContact CA-O 3.35Å; G120-Q161 PolarHBondContact N-O 3.2Å |
| 121 | Q | 98.1 | Very high | 97.6 | Very high | 82 Ų | 82 | 38.3 Ų | 38.3 | 38% | 0.383 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -93.8 | -5.7 | 175.8 | -57.5 | -48.6 | -43.1 | 0 | 0 | 113.5 | N98 R118 I119 | N98-Q121 VanDerWaalsContact O-CB 3.27Å; N98-Q121 WeakPolarHBondContact O-CB 3.39Å; N98-Q121 WeakPolarHBondContact O-CG 3.42Å; N98-Q121 PolarHBondContact O-OE1 2.89Å; R118-Q121 HydrophobicContact CB-CB 4.4Å; R118-Q121 HydrophobicContact CB-CG 3.85Å; R118-Q121 WeakPolarHBondContact O-CB 3.43Å; R118-Q121 PolarHBondContact O-N 3.18Å; I119-Q121 PolarHBondContact O-N 2.82Å |
| 122 | W | 97.9 | Very high | 97.5 | Very high | 10 Ų | 10 | 38 Ų | 38 | 4% | 0.038 | 19% | 0.192 | C | C | . | . | trans | -89.1 | 114.1 | 169.5 | 168.3 | 28.2 | 0 | 0 | 0 | 108.7 | L95 Y100 I119 P124 F127 V129 V132 W163 H167 Q170 | L95-W122 HydrophobicContact CD2-CB 4.4Å; Y100-W122 HydrophobicContact CD2-CB 3.94Å; Y100-W122 HydrophobicContact CE2-CB 3.95Å; I119-W122 WeakPolarHBondContact O-CB 3.35Å; I119-W122 PolarHBondContact O-N 2.81Å; W122-P124 HydrophobicContact CZ2-CB 4.44Å; W122-P124 WeakPolarHBondContact O-CD 3.37Å; W122-F127 PolarHBondContact NE1-O 3.38Å; W122-V129 HydrophobicContact CH2-CB 4.07Å; W122-V129 HydrophobicContact CH2-CG2 4.06Å; W122-V129 HydrophobicContact CZ2-CB 4.07Å; W122-V132 HydrophobicContact CD2-CG2 3.65Å; W122-V132 HydrophobicContact CE3-CG2 4.23Å; W122-V132 HydrophobicContact CG-CG2 3.75Å; W122-V132 HydrophobicContact CZ2-CG2 4.23Å; W122-W163 HydrophobicContact CZ3-CZ3 4.43Å; W122-H167 AromaticContact CD2-CD2 3.52Å; W122-H167 AromaticContact CD2-NE2 3.97Å; W122-H167 AromaticContact CE2-CD2 3.95Å; W122-H167 AromaticContact CE3-CD2 3.33Å; W122-H167 AromaticContact CE3-NE2 3.99Å; W122-H167 HydrophobicContact CH2-CB 4.33Å; W122-H167 HydrophobicContact CZ3-CB 4.03Å; W122-H167 AromaticContact CZ3-CD2 3.61Å; W122-H167 PolarHBondContact O-NE2 3.24Å; W122-Q170 HydrophobicContact CH2-CB 4.41Å; W122-Q170 HydrophobicContact CZ2-CB 4.42Å; W122-Q170 HydrophobicContact CZ2-CG 4.3Å | ||
| 123 | N | 97.4 | Very high | 97.4 | Very high | 60 Ų | 60 | 40.4 Ų | 40.4 | 32% | 0.321 | 20% | 0.203 | S | C | . | . | trans | -88.3 | 114.1 | 166.8 | -176.9 | -2 | 0 | 0 | 0 | 109.3 | K125 D126 F127 | N123-K125 PolarHBondContact O-N 2.84Å; N123-K125 VanDerWaalsContact O-N 3.11Å; N123-K125 WeakPolarHBondContact OD1-CB 3.18Å; N123-K125 PolarHBondContact OD1-N 3.03Å; N123-K125 VanDerWaalsContact OD1-N 3.09Å; N123-D126 HydrophobicContact CB-CB 4.26Å; N123-D126 WeakPolarHBondContact CB-OD2 3.4Å; N123-D126 PolarHBondContact ND2-OD1 2.58Å; N123-D126 PolarHBondContact ND2-OD2 3.01Å; N123-D126 PolarHBondContact O-N 3.41Å; N123-F127 PolarHBondContact O-N 3Å | ||
| 124 | P | 96.1 | Very high | 97.4 | Very high | 26 Ų | 26 | 40.7 Ų | 40.7 | 17% | 0.169 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -3.6 | -176.2 | 29.4 | -33.2 | 0 | 0 | 0 | 113.3 | W122 A166 H167 Q170 | W122-P124 HydrophobicContact CZ2-CB 4.44Å; W122-P124 WeakPolarHBondContact O-CD 3.37Å; P124-A166 HydrophobicContact CB-CB 4.27Å; P124-A166 HydrophobicContact CG-CB 3.6Å; P124-H167 WeakPolarHBondContact CD-NE2 3.48Å; P124-Q170 PolarHBondContact O-NE2 3.31Å |
| 125 | K | 95.8 | Very high | 97.3 | Very high | 191 Ų | 191 | 40.7 Ų | 40.7 | 83% | 0.83 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -29.5 | 169.7 | -63.7 | -177.7 | 179.5 | 179.4 | 0 | 112.8 | N123 | N123-K125 PolarHBondContact O-N 2.84Å; N123-K125 VanDerWaalsContact O-N 3.11Å; N123-K125 WeakPolarHBondContact OD1-CB 3.18Å; N123-K125 PolarHBondContact OD1-N 3.03Å; N123-K125 VanDerWaalsContact OD1-N 3.09Å |
| 126 | D | 96.7 | Very high | 97.3 | Very high | 100 Ų | 100 | 41.6 Ų | 41.6 | 54% | 0.535 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -33.8 | -174.3 | -55.5 | -21.1 | 0 | 0 | 0 | 110.8 | N123 | N123-D126 HydrophobicContact CB-CB 4.26Å; N123-D126 WeakPolarHBondContact CB-OD2 3.4Å; N123-D126 PolarHBondContact ND2-OD1 2.58Å; N123-D126 PolarHBondContact ND2-OD2 3.01Å; N123-D126 PolarHBondContact O-N 3.41Å |
| 127 | F | 97.5 | Very high | 97.2 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 14% | 0.136 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -128.7 | 137.9 | -177.8 | -56.2 | -77.3 | 0 | 0 | 0 | 112.1 | L95 W122 N123 Q170 | L95-F127 HydrophobicContact CD1-CB 4.09Å; L95-F127 HydrophobicContact CD1-CD1 4.04Å; L95-F127 HydrophobicContact CD1-CG 3.96Å; L95-F127 HydrophobicContact CD2-CB 3.99Å; L95-F127 HydrophobicContact CD2-CD1 4.35Å; L95-F127 HydrophobicContact CD2-CD2 3.44Å; L95-F127 VanDerWaalsContact CD2-CD2 3.44Å; L95-F127 HydrophobicContact CD2-CE2 4Å; L95-F127 HydrophobicContact CD2-CG 3.65Å; L95-F127 HydrophobicContact CG-CB 4.12Å; L95-F127 HydrophobicContact CG-CD1 3.72Å; L95-F127 HydrophobicContact CG-CD2 3.7Å; L95-F127 HydrophobicContact CG-CE1 4.05Å; L95-F127 HydrophobicContact CG-CE2 4.02Å; L95-F127 HydrophobicContact CG-CG 3.54Å; L95-F127 HydrophobicContact CG-CZ 4.2Å; W122-F127 PolarHBondContact NE1-O 3.38Å; N123-F127 PolarHBondContact O-N 3Å; F127-Q170 PolarHBondContact O-NE2 2.93Å |
| 128 | T | 96.9 | Very high | 97.2 | Very high | 59 Ų | 59 | 41.6 Ų | 41.6 | 36% | 0.362 | 21% | 0.211 | S | C | . | . | trans | -77.6 | 159 | 170.6 | 67.8 | 0 | 0 | 0 | 0 | 111.4 | Y130 E131 V132 Q170 | T128-Y130 PolarHBondContact O-N 3.5Å; T128-E131 WeakPolarHBondContact CB-OE2 3.48Å; T128-E131 WeakPolarHBondContact CG2-OE2 3.29Å; T128-E131 PolarHBondContact N-OE2 2.94Å; T128-E131 WeakPolarHBondContact O-CB 3.43Å; T128-E131 PolarHBondContact O-N 2.73Å; T128-E131 VanDerWaalsContact O-N 3.16Å; T128-E131 PolarHBondContact OG1-N 3.41Å; T128-E131 PolarHBondContact OG1-OE2 3.3Å; T128-V132 PolarHBondContact O-N 3.01Å; T128-V132 VanDerWaalsContact O-N 3.16Å; T128-Q170 VanDerWaalsContact CA-OE1 3.23Å | ||
| 129 | V | 95.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.024 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -26.5 | 173 | 66.8 | 0 | 0 | 0 | 0 | 111.6 | W122 V132 F133 Q170 I171 L175 | W122-V129 HydrophobicContact CH2-CB 4.07Å; W122-V129 HydrophobicContact CH2-CG2 4.06Å; W122-V129 HydrophobicContact CZ2-CB 4.07Å; V129-V132 PolarHBondContact O-N 3.03Å; V129-F133 HydrophobicContact CG2-CD2 3.81Å; V129-F133 HydrophobicContact CG2-CE2 3.6Å; V129-F133 WeakPolarHBondContact O-CD2 3.41Å; V129-F133 PolarHBondContact O-N 2.79Å; V129-Q170 HydrophobicContact CB-CB 3.86Å; V129-Q170 HydrophobicContact CG1-CB 3.98Å; V129-Q170 WeakPolarHBondContact CG1-O 3.17Å; V129-I171 HydrophobicContact CG2-CG1 4.35Å; V129-L175 HydrophobicContact CB-CD2 4.04Å; V129-L175 HydrophobicContact CG1-CD2 3.26Å; V129-L175 HydrophobicContact CG2-CD2 3.59Å |
| 130 | Y | 95.8 | Very high | 97.3 | Very high | 63 Ų | 63 | 40 Ų | 40 | 25% | 0.247 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68 | -40.7 | 175.3 | -57.9 | -69.2 | 0 | 0 | 0 | 111.7 | E82 I83 T128 V132 F133 R134 L175 | E82-Y130 HydrophobicContact CG-CD1 3.43Å; E82-Y130 VanDerWaalsContact CG-CD1 3.43Å; E82-Y130 HydrophobicContact CG-CD2 4.49Å; E82-Y130 HydrophobicContact CG-CE1 3.67Å; E82-Y130 HydrophobicContact CG-CG 3.88Å; I83-Y130 HydrophobicContact CD1-CD1 4.12Å; I83-Y130 HydrophobicContact CG1-CD1 3.88Å; T128-Y130 PolarHBondContact O-N 3.5Å; Y130-V132 VanDerWaalsContact C-N 3.35Å; Y130-F133 PolarHBondContact O-N 3.27Å; Y130-R134 WeakPolarHBondContact O-CB 3.39Å; Y130-R134 PolarHBondContact O-N 3Å; Y130-L175 HydrophobicContact CD1-CD1 4.26Å; Y130-L175 HydrophobicContact CE1-CD1 3.98Å |
| 131 | E | 96.8 | Very high | 97.3 | Very high | 43 Ų | 43 | 38.4 Ų | 38.4 | 20% | 0.201 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 172.7 | -72.4 | 157.3 | 108.6 | 0 | 0 | 111.4 | V92 L95 T128 R134 V135 | V92-E131 HydrophobicContact CG1-CB 4.42Å; L95-E131 HydrophobicContact CD1-CB 4.15Å; T128-E131 WeakPolarHBondContact CB-OE2 3.48Å; T128-E131 WeakPolarHBondContact CG2-OE2 3.29Å; T128-E131 PolarHBondContact N-OE2 2.94Å; T128-E131 WeakPolarHBondContact O-CB 3.43Å; T128-E131 PolarHBondContact O-N 2.73Å; T128-E131 VanDerWaalsContact O-N 3.16Å; T128-E131 PolarHBondContact OG1-N 3.41Å; T128-E131 PolarHBondContact OG1-OE2 3.3Å; E131-R134 VanDerWaalsContact CG-NH1 3.27Å; E131-R134 WeakPolarHBondContact O-CB 3.48Å; E131-R134 PolarHBondContact O-N 3.1Å; E131-R134 VanDerWaalsContact O-N 3.16Å; E131-V135 PolarHBondContact O-N 3.06Å |
| 132 | V | 97.1 | Very high | 97.3 | Very high | 8 Ų | 8 | 35 Ų | 35 | 5% | 0.048 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.1 | -44.6 | 173.8 | 169.2 | 0 | 0 | 0 | 0 | 112 | L95 Y100 W122 T128 V129 Y130 R134 V135 S136 | L95-V132 HydrophobicContact CD1-CG2 3.97Å; L95-V132 HydrophobicContact CD2-CG2 4.39Å; Y100-V132 HydrophobicContact CE1-CG1 4.03Å; Y100-V132 WeakPolarHBondContact OH-CG1 3.41Å; W122-V132 HydrophobicContact CD2-CG2 3.65Å; W122-V132 HydrophobicContact CE3-CG2 4.23Å; W122-V132 HydrophobicContact CG-CG2 3.75Å; W122-V132 HydrophobicContact CZ2-CG2 4.23Å; T128-V132 PolarHBondContact O-N 3.01Å; T128-V132 VanDerWaalsContact O-N 3.16Å; V129-V132 PolarHBondContact O-N 3.03Å; Y130-V132 VanDerWaalsContact C-N 3.35Å; V132-R134 VanDerWaalsContact C-N 3.29Å; V132-R134 PolarHBondContact O-N 3.24Å; V132-V135 WeakPolarHBondContact O-CB 3.43Å; V132-V135 PolarHBondContact O-N 3.44Å; V132-S136 PolarHBondContact O-N 3.33Å |
| 133 | F | 96.3 | Very high | 97.3 | Very high | 52 Ų | 52 | 34.5 Ų | 34.5 | 23% | 0.228 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.7 | -32.2 | 174.4 | -86.4 | -66.1 | 0 | 0 | 0 | 112.7 | I83 V129 Y130 V135 S136 L137 L175 I179 | I83-F133 HydrophobicContact CD1-CB 3.92Å; I83-F133 HydrophobicContact CG1-CB 4.34Å; I83-F133 HydrophobicContact CG2-CB 4.07Å; V129-F133 HydrophobicContact CG2-CD2 3.81Å; V129-F133 HydrophobicContact CG2-CE2 3.6Å; V129-F133 WeakPolarHBondContact O-CD2 3.41Å; V129-F133 PolarHBondContact O-N 2.79Å; Y130-F133 PolarHBondContact O-N 3.27Å; F133-V135 VanDerWaalsContact C-N 3.34Å; F133-V135 PolarHBondContact O-N 3.4Å; F133-S136 WeakPolarHBondContact O-CB 3.47Å; F133-S136 PolarHBondContact O-N 2.89Å; F133-S136 VanDerWaalsContact O-N 3.11Å; F133-L137 PolarHBondContact O-N 2.89Å; F133-L175 HydrophobicContact CD2-CD1 4.19Å; F133-L175 HydrophobicContact CD2-CD2 4.49Å; F133-L175 HydrophobicContact CE2-CD2 4.38Å; F133-I179 HydrophobicContact CD1-CG1 4.15Å; F133-I179 HydrophobicContact CD2-CD1 4.27Å; F133-I179 HydrophobicContact CD2-CG1 4.16Å; F133-I179 HydrophobicContact CE1-CB 4.23Å; F133-I179 HydrophobicContact CE1-CD1 3.94Å; F133-I179 HydrophobicContact CE1-CG1 3.52Å; F133-I179 HydrophobicContact CE1-CG2 3.8Å; F133-I179 HydrophobicContact CE2-CD1 3.26Å; F133-I179 HydrophobicContact CE2-CG1 3.54Å; F133-I179 HydrophobicContact CG-CG1 4.48Å; F133-I179 HydrophobicContact CZ-CB 4.21Å; F133-I179 HydrophobicContact CZ-CD1 3.09Å; F133-I179 HydrophobicContact CZ-CG1 3.22Å; F133-I179 HydrophobicContact CZ-CG2 3.95Å |
| 134 | R | 97.4 | Very high | 97.4 | Very high | 30 Ų | 30 | 31.6 Ų | 31.6 | 11% | 0.113 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.1 | -38.2 | 175.3 | -172.3 | -174.1 | -60.3 | 124.6 | 7.5 | 111.9 | E82 I83 N86 L87 S91 V92 Y130 E131 V132 S136 L137 I138 | E82-R134 PolarHBondContact O-NH2 2.77Å; I83-R134 HydrophobicContact CG2-CB 4.3Å; I83-R134 WeakPolarHBondContact O-CG 3.44Å; I83-R134 PolarHBondContact O-NE 2.84Å; N86-R134 WeakPolarHBondContact O-CD 3.47Å; N86-R134 PolarHBondContact O-NE 3.04Å; L87-R134 HydrophobicContact CD2-CG 4.41Å; S91-R134 VanDerWaalsContact OG-CD 3.25Å; S91-R134 WeakPolarHBondContact OG-CD 3.15Å; V92-R134 HydrophobicContact CG1-CB 4.14Å; V92-R134 HydrophobicContact CG1-CG 4.19Å; Y130-R134 WeakPolarHBondContact O-CB 3.39Å; Y130-R134 PolarHBondContact O-N 3Å; E131-R134 VanDerWaalsContact CG-NH1 3.27Å; E131-R134 WeakPolarHBondContact O-CB 3.48Å; E131-R134 PolarHBondContact O-N 3.1Å; E131-R134 VanDerWaalsContact O-N 3.16Å; V132-R134 VanDerWaalsContact C-N 3.29Å; V132-R134 PolarHBondContact O-N 3.24Å; R134-S136 PolarHBondContact O-N 3.49Å; R134-L137 PolarHBondContact O-N 2.87Å; R134-L137 VanDerWaalsContact O-N 3.13Å; R134-I138 HydrophobicContact CG-CD1 3.98Å; R134-I138 HydrophobicContact CG-CG1 4.31Å; R134-I138 WeakPolarHBondContact O-CB 3.38Å; R134-I138 WeakPolarHBondContact O-CG1 3.24Å; R134-I138 PolarHBondContact O-N 2.69Å |
| 135 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.4 | -43 | 171.1 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | V92 L95 L96 Y100 H101 E131 V132 F133 T139 | V92-V135 HydrophobicContact CB-CG2 3.71Å; V92-V135 HydrophobicContact CG1-CG2 3.92Å; V92-V135 HydrophobicContact CG2-CG2 3.99Å; L95-V135 HydrophobicContact CB-CG2 4.3Å; L95-V135 HydrophobicContact CD1-CG2 3.97Å; L96-V135 HydrophobicContact CD2-CG1 4.16Å; Y100-V135 HydrophobicContact CD1-CG1 4.27Å; Y100-V135 HydrophobicContact CE1-CB 4.49Å; Y100-V135 HydrophobicContact CE1-CG1 4.34Å; H101-V135 HydrophobicContact CB-CG1 3.74Å; E131-V135 PolarHBondContact O-N 3.06Å; V132-V135 WeakPolarHBondContact O-CB 3.43Å; V132-V135 PolarHBondContact O-N 3.44Å; F133-V135 VanDerWaalsContact C-N 3.34Å; F133-V135 PolarHBondContact O-N 3.4Å; V135-T139 WeakPolarHBondContact O-CB 3.34Å; V135-T139 PolarHBondContact O-N 3.12Å; V135-T139 PolarHBondContact O-OG1 2.92Å |
| 136 | S | 98 | Very high | 97.5 | Very high | 21 Ų | 21 | 27.2 Ų | 27.2 | 15% | 0.147 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.5 | -38.8 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | Y117 V132 F133 R134 S140 | Y117-S136 VanDerWaalsContact CE1-OG 3.26Å; Y117-S136 WeakPolarHBondContact CE1-OG 3.26Å; Y117-S136 PolarHBondContact OH-OG 2.81Å; V132-S136 PolarHBondContact O-N 3.33Å; F133-S136 WeakPolarHBondContact O-CB 3.47Å; F133-S136 PolarHBondContact O-N 2.89Å; F133-S136 VanDerWaalsContact O-N 3.11Å; R134-S136 PolarHBondContact O-N 3.49Å; S136-S140 VanDerWaalsContact O-CB 3.28Å; S136-S140 WeakPolarHBondContact O-CB 3.18Å; S136-S140 PolarHBondContact O-N 2.75Å; S136-S140 PolarHBondContact O-OG 2.9Å |
| 137 | L | 97.4 | Very high | 97.5 | Very high | 7 Ų | 7 | 24.7 Ų | 24.7 | 4% | 0.037 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.9 | -47.2 | 177.2 | -178.9 | 60.8 | 0 | 0 | 0 | 111.9 | W76 I83 L87 F133 R134 T139 S140 E141 F187 | W76-L137 HydrophobicContact CH2-CD1 4.41Å; W76-L137 HydrophobicContact CH2-CD2 3.99Å; W76-L137 HydrophobicContact CZ3-CD1 4.05Å; W76-L137 HydrophobicContact CZ3-CD2 3.81Å; I83-L137 HydrophobicContact CG2-CB 4.39Å; I83-L137 HydrophobicContact CG2-CD2 3.98Å; L87-L137 HydrophobicContact CD2-CD2 3.64Å; L87-L137 HydrophobicContact CD2-CG 3.98Å; F133-L137 PolarHBondContact O-N 2.89Å; R134-L137 PolarHBondContact O-N 2.87Å; R134-L137 VanDerWaalsContact O-N 3.13Å; L137-T139 VanDerWaalsContact C-N 3.3Å; L137-T139 PolarHBondContact O-N 3.26Å; L137-S140 WeakPolarHBondContact O-CB 3.49Å; L137-S140 PolarHBondContact O-N 2.85Å; L137-S140 VanDerWaalsContact O-N 3.12Å; L137-E141 HydrophobicContact CD1-CG 4.36Å; L137-E141 WeakPolarHBondContact O-CG 3.43Å; L137-E141 PolarHBondContact O-N 3.01Å; L137-F187 HydrophobicContact CD1-CD2 3.93Å; L137-F187 HydrophobicContact CD1-CE2 3.56Å |
| 138 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -53.2 | -51.7 | 173.9 | -73.7 | 168.5 | 0 | 0 | 0 | 109.5 | L87 V92 R134 S140 E141 L142 I264 L271 | L87-I138 HydrophobicContact CB-CG1 4.14Å; L87-I138 HydrophobicContact CD2-CG1 4.25Å; L87-I138 WeakPolarHBondContact O-CD1 3.27Å; L87-I138 WeakPolarHBondContact O-CG1 3.13Å; V92-I138 HydrophobicContact CG2-CD1 3.76Å; R134-I138 HydrophobicContact CG-CD1 3.98Å; R134-I138 HydrophobicContact CG-CG1 4.31Å; R134-I138 WeakPolarHBondContact O-CB 3.38Å; R134-I138 WeakPolarHBondContact O-CG1 3.24Å; R134-I138 PolarHBondContact O-N 2.69Å; I138-S140 VanDerWaalsContact C-N 3.31Å; I138-S140 PolarHBondContact O-N 3.48Å; I138-E141 PolarHBondContact O-N 2.98Å; I138-L142 HydrophobicContact CG2-CD1 4.41Å; I138-L142 WeakPolarHBondContact O-CG 3.1Å; I138-L142 PolarHBondContact O-N 3.24Å; I138-L142 VanDerWaalsContact O-N 3.16Å; I138-I264 HydrophobicContact CG2-CD1 4.18Å; I138-I264 HydrophobicContact CG2-CG1 4.18Å; I138-I264 HydrophobicContact CG2-CG2 4.02Å; I138-L271 HydrophobicContact CB-CD2 4.42Å; I138-L271 HydrophobicContact CG1-CD2 4.42Å; I138-L271 HydrophobicContact CG2-CD1 3.77Å; I138-L271 HydrophobicContact CG2-CD2 3.91Å |
| 139 | T | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.5 | -43.9 | 178.6 | -64.4 | 0 | 0 | 0 | 0 | 111.6 | H101 V103 L115 V135 L137 E141 L142 I143 W260 | H101-T139 PolarHBondContact CD2-OG1 2.99Å; H101-T139 WeakPolarHBondContact NE2-CG2 3.22Å; H101-T139 PolarHBondContact NE2-OG1 3.32Å; V103-T139 HydrophobicContact CG2-CG2 3.82Å; L115-T139 HydrophobicContact CD2-CG2 3.61Å; L115-T139 HydrophobicContact CG-CG2 4.33Å; V135-T139 WeakPolarHBondContact O-CB 3.34Å; V135-T139 PolarHBondContact O-N 3.12Å; V135-T139 PolarHBondContact O-OG1 2.92Å; L137-T139 VanDerWaalsContact C-N 3.3Å; L137-T139 PolarHBondContact O-N 3.26Å; T139-E141 PolarHBondContact O-N 2.87Å; T139-L142 PolarHBondContact O-N 3.43Å; T139-I143 HydrophobicContact CG2-CG2 4.29Å; T139-I143 WeakPolarHBondContact O-CG1 3.39Å; T139-I143 WeakPolarHBondContact O-CG2 3.31Å; T139-I143 PolarHBondContact O-N 3.13Å; T139-W260 HydrophobicContact CG2-CZ2 3.69Å; T139-W260 PolarHBondContact OG1-NE1 3.33Å; T139-W260 VanDerWaalsContact OG1-NE1 3.12Å |
| 140 | S | 98.4 | Very high | 97.7 | Very high | 13 Ų | 13 | 24.2 Ų | 24.2 | 9% | 0.091 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62 | -41.3 | 179.1 | -62.1 | 0 | 0 | 0 | 0 | 112.2 | S136 L137 I138 L142 V144 F187 | S136-S140 VanDerWaalsContact O-CB 3.28Å; S136-S140 WeakPolarHBondContact O-CB 3.18Å; S136-S140 PolarHBondContact O-N 2.75Å; S136-S140 PolarHBondContact O-OG 2.9Å; L137-S140 WeakPolarHBondContact O-CB 3.49Å; L137-S140 PolarHBondContact O-N 2.85Å; L137-S140 VanDerWaalsContact O-N 3.12Å; I138-S140 VanDerWaalsContact C-N 3.31Å; I138-S140 PolarHBondContact O-N 3.48Å; S140-L142 VanDerWaalsContact C-N 3.29Å; S140-L142 PolarHBondContact O-N 2.93Å; S140-V144 VanDerWaalsContact O-CB 3.22Å; S140-V144 WeakPolarHBondContact O-CB 3.49Å; S140-V144 VanDerWaalsContact O-CG1 3.25Å; S140-V144 WeakPolarHBondContact O-CG1 3.28Å; S140-V144 PolarHBondContact O-N 3.32Å; S140-F187 VanDerWaalsContact CB-CZ 3.49Å |
| 141 | E | 97.7 | Very high | 97.7 | Very high | 7 Ų | 7 | 23.6 Ų | 23.6 | 3% | 0.033 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.4 | -28.5 | 177.3 | -72.7 | -68.4 | 179.9 | 0 | 0 | 113.3 | Y73 L87 L137 I138 T139 V144 Q145 F187 L274 | Y73-E141 WeakPolarHBondContact CE2-OE1 3.37Å; Y73-E141 PolarHBondContact OH-OE1 3.07Å; L87-E141 HydrophobicContact CD1-CG 4.25Å; L137-E141 HydrophobicContact CD1-CG 4.36Å; L137-E141 WeakPolarHBondContact O-CG 3.43Å; L137-E141 PolarHBondContact O-N 3.01Å; I138-E141 PolarHBondContact O-N 2.98Å; T139-E141 PolarHBondContact O-N 2.87Å; E141-V144 WeakPolarHBondContact O-CG1 3.26Å; E141-Q145 WeakPolarHBondContact O-CG 3.32Å; E141-Q145 PolarHBondContact O-NE2 3.33Å; E141-F187 HydrophobicContact CG-CE2 4.14Å; E141-F187 HydrophobicContact CG-CZ 4.09Å; E141-F187 WeakPolarHBondContact OE1-CE2 3.35Å; E141-L274 HydrophobicContact CB-CD1 3.92Å; E141-L274 HydrophobicContact CG-CD1 4.29Å |
| 142 | L | 98.6 | Very high | 97.7 | Very high | 9 Ų | 9 | 23.6 Ų | 23.6 | 5% | 0.047 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -79.6 | -52.5 | 174.7 | -62.7 | 178.4 | 0 | 0 | 0 | 111.6 | I138 T139 S140 V144 Q145 W260 I264 L270 L271 | I138-L142 HydrophobicContact CG2-CD1 4.41Å; I138-L142 WeakPolarHBondContact O-CG 3.1Å; I138-L142 PolarHBondContact O-N 3.24Å; I138-L142 VanDerWaalsContact O-N 3.16Å; T139-L142 PolarHBondContact O-N 3.43Å; S140-L142 VanDerWaalsContact C-N 3.29Å; S140-L142 PolarHBondContact O-N 2.93Å; L142-V144 VanDerWaalsContact C-N 3.25Å; L142-V144 PolarHBondContact O-N 3.11Å; L142-Q145 WeakPolarHBondContact O-CB 3.48Å; L142-Q145 VanDerWaalsContact O-CG 3.31Å; L142-Q145 WeakPolarHBondContact O-CG 3.49Å; L142-Q145 PolarHBondContact O-N 3.4Å; L142-Q145 VanDerWaalsContact O-N 3.1Å; L142-W260 HydrophobicContact CB-CH2 4.25Å; L142-W260 HydrophobicContact CB-CZ2 4.38Å; L142-W260 HydrophobicContact CD1-CH2 4.48Å; L142-W260 HydrophobicContact CD1-CZ2 4.23Å; L142-I264 HydrophobicContact CD1-CG1 3.87Å; L142-L270 HydrophobicContact CD2-CD2 4.02Å; L142-L271 HydrophobicContact CD2-CD2 4.12Å; L142-L271 HydrophobicContact CD2-CG 4.3Å; L142-L271 HydrophobicContact CG-CD2 4.31Å |
| 143 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.1 | -24.9 | -175.6 | 69.8 | 178.4 | 0 | 0 | 0 | 112.4 | R113 L115 T139 Q145 E146 T149 L154 L189 W260 | R113-I143 HydrophobicContact CG-CB 4.32Å; R113-I143 HydrophobicContact CG-CD1 4.37Å; R113-I143 HydrophobicContact CG-CG2 4.1Å; L115-I143 HydrophobicContact CD1-CD1 4Å; L115-I143 HydrophobicContact CD2-CD1 4.19Å; T139-I143 HydrophobicContact CG2-CG2 4.29Å; T139-I143 WeakPolarHBondContact O-CG1 3.39Å; T139-I143 WeakPolarHBondContact O-CG2 3.31Å; T139-I143 PolarHBondContact O-N 3.13Å; I143-Q145 PolarHBondContact O-N 2.91Å; I143-E146 WeakPolarHBondContact O-CB 3.27Å; I143-E146 WeakPolarHBondContact O-CG 3.14Å; I143-E146 PolarHBondContact O-N 3.05Å; I143-E146 VanDerWaalsContact O-N 3.08Å; I143-T149 HydrophobicContact CB-CG2 4.2Å; I143-T149 HydrophobicContact CD1-CG2 4.24Å; I143-T149 HydrophobicContact CG1-CG2 4.07Å; I143-T149 VanDerWaalsContact O-CB 3.26Å; I143-T149 WeakPolarHBondContact O-CB 3.26Å; I143-T149 WeakPolarHBondContact O-CG2 3.36Å; I143-L154 HydrophobicContact CD1-CD2 3.88Å; I143-L189 HydrophobicContact CD1-CD1 4.06Å; I143-L189 HydrophobicContact CG1-CD1 4.01Å; I143-L189 HydrophobicContact CG1-CD2 4.43Å; I143-W260 HydrophobicContact CG2-CH2 3.69Å; I143-W260 HydrophobicContact CG2-CZ2 4.07Å |
| 144 | V | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -11.3 | 176.2 | 77.9 | 0 | 0 | 0 | 0 | 112.8 | K54 S140 E141 L142 E146 Q150 F187 P188 L189 | K54-V144 HydrophobicContact CB-CG2 4.27Å; K54-V144 HydrophobicContact CD-CG1 4.2Å; K54-V144 HydrophobicContact CD-CG2 4.12Å; K54-V144 HydrophobicContact CG-CG2 4.16Å; S140-V144 VanDerWaalsContact O-CB 3.22Å; S140-V144 WeakPolarHBondContact O-CB 3.49Å; S140-V144 VanDerWaalsContact O-CG1 3.25Å; S140-V144 WeakPolarHBondContact O-CG1 3.28Å; S140-V144 PolarHBondContact O-N 3.32Å; E141-V144 WeakPolarHBondContact O-CG1 3.26Å; L142-V144 VanDerWaalsContact C-N 3.25Å; L142-V144 PolarHBondContact O-N 3.11Å; V144-E146 VanDerWaalsContact C-N 3.26Å; V144-Q150 HydrophobicContact CG2-CG 4.38Å; V144-Q150 VanDerWaalsContact O-CG 3.3Å; V144-Q150 WeakPolarHBondContact O-CG 2.84Å; V144-Q150 PolarHBondContact O-NE2 3.46Å; V144-F187 HydrophobicContact CB-CE1 4.14Å; V144-F187 HydrophobicContact CG1-CE1 4.22Å; V144-F187 HydrophobicContact CG1-CZ 4.29Å; V144-F187 HydrophobicContact CG2-CE1 4.36Å; V144-P188 HydrophobicContact CG2-CG 4.17Å; V144-P188 WeakPolarHBondContact CG2-O 3.39Å; V144-L189 HydrophobicContact CB-CD1 4.38Å; V144-L189 HydrophobicContact CB-CD2 3.92Å; V144-L189 HydrophobicContact CB-CG 4.12Å; V144-L189 HydrophobicContact CG2-CD2 3.82Å; V144-L189 HydrophobicContact CG2-CG 4Å |
| 145 | Q | 96.9 | Very high | 97.9 | Very high | 73 Ų | 73 | 21.1 Ų | 21.1 | 34% | 0.341 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -23.5 | 169.9 | -49.8 | -58.8 | -31.4 | 0 | 0 | 111.6 | E141 L142 I143 T147 L270 | E141-Q145 WeakPolarHBondContact O-CG 3.32Å; E141-Q145 PolarHBondContact O-NE2 3.33Å; L142-Q145 WeakPolarHBondContact O-CB 3.48Å; L142-Q145 VanDerWaalsContact O-CG 3.31Å; L142-Q145 WeakPolarHBondContact O-CG 3.49Å; L142-Q145 PolarHBondContact O-N 3.4Å; L142-Q145 VanDerWaalsContact O-N 3.1Å; I143-Q145 PolarHBondContact O-N 2.91Å; Q145-T147 PolarHBondContact O-N 3.49Å; Q145-L270 HydrophobicContact CG-CD2 4.44Å |
| 146 | E | 97.7 | Very high | 97.9 | Very high | 51 Ų | 51 | 21.4 Ų | 21.4 | 24% | 0.238 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -76.8 | 119 | -178.7 | -52.6 | 168 | 163.1 | 0 | 0 | 110.3 | R107 R113 I143 V144 E148 T149 Q150 | R107-E146 IonicContact CZ-OE2 3.9Å; R107-E146 IonicContact NH2-OE2 3.61Å; R107-E146 PolarHBondContact NH2-OE2 3.38Å; R113-E146 WeakPolarHBondContact CD-OE2 3.48Å; R113-E146 IonicContact CZ-OE1 2.81Å; R113-E146 IonicContact NE-OE1 2.69Å; R113-E146 PolarHBondContact NE-OE1 2.7Å; R113-E146 IonicContact NE-OE2 2.64Å; I143-E146 WeakPolarHBondContact O-CB 3.27Å; I143-E146 WeakPolarHBondContact O-CG 3.14Å; I143-E146 PolarHBondContact O-N 3.05Å; I143-E146 VanDerWaalsContact O-N 3.08Å; V144-E146 VanDerWaalsContact C-N 3.26Å; E146-E148 VanDerWaalsContact C-N 3.26Å; E146-E148 PolarHBondContact O-N 3.24Å; E146-T149 PolarHBondContact O-N 3.15Å; E146-T149 PolarHBondContact OE2-OG1 2.87Å; E146-Q150 WeakPolarHBondContact O-CG 3.32Å; E146-Q150 PolarHBondContact O-N 3.35Å |
| 147 | T | 96.4 | Very high | 97.9 | Very high | 48 Ų | 48 | 20.4 Ų | 20.4 | 29% | 0.294 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -55.3 | -41.4 | 179 | -66.5 | 0 | 0 | 0 | 0 | 112.2 | Q145 T149 Q150 R151 | Q145-T147 PolarHBondContact O-N 3.49Å; T147-T149 VanDerWaalsContact C-N 3.3Å; T147-T149 PolarHBondContact O-N 3.31Å; T147-Q150 WeakPolarHBondContact O-CB 3.29Å; T147-Q150 PolarHBondContact O-N 3.35Å; T147-R151 VanDerWaalsContact CG2-CZ 3.46Å; T147-R151 WeakPolarHBondContact O-CG 3.19Å; T147-R151 PolarHBondContact O-N 2.87Å |
| 148 | E | 97.1 | Very high | 98 | Very high | 77 Ų | 77 | 22.5 Ų | 22.5 | 36% | 0.36 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -65.2 | -32.5 | 178 | -67.4 | -53.3 | 119.5 | 0 | 0 | 112.8 | E146 R151 N152 | E146-E148 VanDerWaalsContact C-N 3.26Å; E146-E148 PolarHBondContact O-N 3.24Å; E148-R151 IonicContact OE1-CZ 3.16Å; E148-R151 IonicContact OE1-NH1 3Å; E148-R151 PolarHBondContact OE1-NH1 3.16Å; E148-N152 VanDerWaalsContact O-CB 3.27Å; E148-N152 WeakPolarHBondContact O-CB 3.42Å; E148-N152 PolarHBondContact O-N 3.16Å; E148-N152 PolarHBondContact O-ND2 3.33Å; E148-N152 VanDerWaalsContact O-ND2 3.15Å; E148-N152 PolarHBondContact OE2-ND2 3.24Å; E148-N152 VanDerWaalsContact OE2-ND2 3.09Å |
| 149 | T | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -73.3 | -36.5 | 173.6 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | R107 R113 I143 E146 T147 R151 G153 L189 | R107-T149 PolarHBondContact NH1-OG1 2.9Å; R107-T149 PolarHBondContact NH2-OG1 3.49Å; R113-T149 HydrophobicContact CB-CG2 4.09Å; I143-T149 HydrophobicContact CB-CG2 4.2Å; I143-T149 HydrophobicContact CD1-CG2 4.24Å; I143-T149 HydrophobicContact CG1-CG2 4.07Å; I143-T149 VanDerWaalsContact O-CB 3.26Å; I143-T149 WeakPolarHBondContact O-CB 3.26Å; I143-T149 WeakPolarHBondContact O-CG2 3.36Å; E146-T149 PolarHBondContact O-N 3.15Å; E146-T149 PolarHBondContact OE2-OG1 2.87Å; T147-T149 VanDerWaalsContact C-N 3.3Å; T147-T149 PolarHBondContact O-N 3.31Å; T149-R151 VanDerWaalsContact C-N 3.28Å; T149-R151 PolarHBondContact O-N 3.45Å; T149-G153 WeakPolarHBondContact O-CA 3.47Å; T149-G153 PolarHBondContact O-N 2.69Å; T149-L189 HydrophobicContact CG2-CD2 3.58Å |
| 150 | Q | 98.1 | Very high | 97.9 | Very high | 7 Ų | 7 | 23.3 Ų | 23.3 | 3% | 0.033 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.6 | -39 | 174.2 | -63.1 | 168.9 | 18 | 0 | 0 | 111.6 | K54 R57 V144 E146 T147 | K54-Q150 HydrophobicContact CG-CG 4.46Å; R57-Q150 HydrophobicContact CB-CB 4.12Å; V144-Q150 HydrophobicContact CG2-CG 4.38Å; V144-Q150 VanDerWaalsContact O-CG 3.3Å; V144-Q150 WeakPolarHBondContact O-CG 2.84Å; V144-Q150 PolarHBondContact O-NE2 3.46Å; E146-Q150 WeakPolarHBondContact O-CG 3.32Å; E146-Q150 PolarHBondContact O-N 3.35Å; T147-Q150 WeakPolarHBondContact O-CB 3.29Å; T147-Q150 PolarHBondContact O-N 3.35Å |
| 151 | R | 95.9 | Very high | 97.9 | Very high | 49 Ų | 49 | 29 Ų | 29 | 19% | 0.185 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -73 | -57.4 | 179.2 | -70.7 | 169.5 | 173.4 | 172.7 | -4.8 | 112.1 | N14 S15 L16 T147 E148 T149 | N14-R151 HydrophobicContact CB-CG 4.47Å; N14-R151 WeakPolarHBondContact O-CD 3.38Å; N14-R151 WeakPolarHBondContact O-CG 3.3Å; N14-R151 PolarHBondContact O-NE 3.44Å; S15-R151 PolarHBondContact O-NH2 2.94Å; L16-R151 PolarHBondContact O-NH2 3.35Å; T147-R151 VanDerWaalsContact CG2-CZ 3.46Å; T147-R151 WeakPolarHBondContact O-CG 3.19Å; T147-R151 PolarHBondContact O-N 2.87Å; E148-R151 IonicContact OE1-CZ 3.16Å; E148-R151 IonicContact OE1-NH1 3Å; E148-R151 PolarHBondContact OE1-NH1 3.16Å; T149-R151 VanDerWaalsContact C-N 3.28Å; T149-R151 PolarHBondContact O-N 3.45Å |
| 152 | N | 97.3 | Very high | 97.8 | Very high | 43 Ų | 43 | 31 Ų | 31 | 23% | 0.23 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -91.1 | -26.8 | -166.7 | -57.3 | -37.6 | 0 | 0 | 0 | 111.8 | S110 G111 S112 E148 R192 | S110-N152 WeakPolarHBondContact O-CB 3.46Å; G111-N152 VanDerWaalsContact C-CB 3.46Å; G111-N152 WeakPolarHBondContact O-CB 3.46Å; S112-N152 PolarHBondContact OG-O 3.45Å; E148-N152 VanDerWaalsContact O-CB 3.27Å; E148-N152 WeakPolarHBondContact O-CB 3.42Å; E148-N152 PolarHBondContact O-N 3.16Å; E148-N152 PolarHBondContact O-ND2 3.33Å; E148-N152 VanDerWaalsContact O-ND2 3.15Å; E148-N152 PolarHBondContact OE2-ND2 3.24Å; E148-N152 VanDerWaalsContact OE2-ND2 3.09Å; N152-R192 WeakPolarHBondContact O-CG 3.31Å; N152-R192 PolarHBondContact O-NE 3Å |
| 153 | G | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | 88.6 | -155.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S112 R113 T149 K190 | S112-G153 VanDerWaalsContact CA-O 3.32Å; S112-G153 WeakPolarHBondContact CA-O 3.48Å; R113-G153 PolarHBondContact N-O 3.06Å; T149-G153 WeakPolarHBondContact O-CA 3.47Å; T149-G153 PolarHBondContact O-N 2.69Å; G153-K190 CarbonylContact C-O 3.57Å; G153-K190 WeakPolarHBondContact CA-O 3.3Å | ||
| 154 | L | 98.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 7% | 0.068 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 158.3 | -178.7 | 70.6 | 88.1 | 0 | 0 | 0 | 112.6 | R113 L115 I143 A156 L189 K190 R192 | R113-L154 HydrophobicContact CB-CB 4.32Å; R113-L154 CarbonylContact O-C 3.54Å; R113-L154 WeakPolarHBondContact O-CA 3.47Å; R113-L154 WeakPolarHBondContact O-CB 3.27Å; L115-L154 HydrophobicContact CD1-CB 3.75Å; L115-L154 HydrophobicContact CD1-CD1 4.06Å; L115-L154 HydrophobicContact CD1-CD2 4.32Å; L115-L154 HydrophobicContact CD1-CG 4.26Å; I143-L154 HydrophobicContact CD1-CD2 3.88Å; L154-A156 HydrophobicContact CD1-CB 4.38Å; L154-L189 HydrophobicContact CD2-CB 4.05Å; L154-L189 HydrophobicContact CD2-CD1 3.75Å; L154-L189 HydrophobicContact CD2-CD2 4.48Å; L154-L189 HydrophobicContact CD2-CG 4.32Å; L154-K190 PolarHBondContact N-O 3.12Å; L154-R192 WeakPolarHBondContact O-CB 3.47Å; L154-R192 PolarHBondContact O-N 3.03Å |
| 155 | K | 98.8 | Very high | 97.1 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 11% | 0.109 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 140.9 | 162.2 | -66.7 | -178.7 | 176.7 | 163.2 | 0 | 109.3 | D108 R113 V114 L115 R192 G193 F236 F237 | D108-K155 VanDerWaalsContact OD2-CD 3.26Å; D108-K155 WeakPolarHBondContact OD2-CD 3.45Å; D108-K155 WeakPolarHBondContact OD2-CE 3.28Å; D108-K155 IonicContact OD2-NZ 3.75Å; D108-K155 PolarHBondContact OD2-NZ 3.16Å; R113-K155 PolarHBondContact O-N 2.74Å; V114-K155 WeakPolarHBondContact CA-O 3.39Å; L115-K155 PolarHBondContact N-O 3.33Å; K155-R192 HydrophobicContact CG-CB 4.07Å; K155-G193 CarbonylContact C-O 3.44Å; K155-G193 VanDerWaalsContact CA-O 3.26Å; K155-G193 WeakPolarHBondContact CA-O 3.21Å; K155-F236 PolarHBondContact NZ-O 3Å; K155-F237 HydrophobicContact CB-CE1 3.82Å; K155-F237 HydrophobicContact CB-CZ 3.86Å; K155-F237 HydrophobicContact CD-CE1 3.56Å; K155-F237 HydrophobicContact CD-CZ 3.73Å; K155-F237 HydrophobicContact CG-CE1 4.35Å; K155-F237 HydrophobicContact CG-CZ 4.46Å |
| 156 | A | 98.6 | Very high | 97 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L115 Y117 L154 F158 G193 I194 H195 | L115-A156 HydrophobicContact CB-CB 4.44Å; L115-A156 CarbonylContact O-C 3.55Å; L115-A156 WeakPolarHBondContact O-CA 3.42Å; Y117-A156 HydrophobicContact CE2-CB 4.27Å; L154-A156 HydrophobicContact CD1-CB 4.38Å; A156-F158 HydrophobicContact CB-CD2 4.37Å; A156-F158 HydrophobicContact CB-CE2 3.75Å; A156-F158 HydrophobicContact CB-CZ 4.46Å; A156-G193 PolarHBondContact N-O 3.41Å; A156-I194 CarbonylContact O-C 3.55Å; A156-I194 WeakPolarHBondContact O-CA 3.44Å; A156-H195 PolarHBondContact O-N 2.94Å |
| 157 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 124.9 | 172.2 | -55 | 173.9 | 0 | 0 | 0 | 107.6 | V114 L115 I116 Y117 H195 I197 F237 L242 | V114-I157 HydrophobicContact CG1-CD1 4.12Å; V114-I157 HydrophobicContact CG1-CG1 4.48Å; L115-I157 PolarHBondContact O-N 2.93Å; I116-I157 CarbonylContact C-O 3.54Å; I116-I157 WeakPolarHBondContact CA-O 3.39Å; I116-I157 HydrophobicContact CD1-CD1 4.37Å; I116-I157 HydrophobicContact CG1-CB 4.25Å; I116-I157 HydrophobicContact CG1-CD1 4.31Å; Y117-I157 PolarHBondContact N-O 2.6Å; I157-H195 CarbonylContact C-O 3.4Å; I157-H195 WeakPolarHBondContact CA-O 3.49Å; I157-H195 HydrophobicContact CG1-CB 4.21Å; I157-I197 HydrophobicContact CG2-CD1 4.08Å; I157-I197 HydrophobicContact CG2-CG1 4.41Å; I157-I197 HydrophobicContact CG2-CG2 4.36Å; I157-F237 HydrophobicContact CD1-CD2 4.18Å; I157-F237 HydrophobicContact CD1-CE1 4.46Å; I157-F237 HydrophobicContact CD1-CE2 3.81Å; I157-F237 HydrophobicContact CD1-CZ 3.96Å; I157-F237 HydrophobicContact CG1-CE2 3.98Å; I157-F237 HydrophobicContact CG1-CZ 3.92Å; I157-L242 HydrophobicContact CD1-CD2 3.9Å |
| 158 | F | 98.5 | Very high | 96.7 | Very high | 51 Ų | 51 | 35.7 Ų | 35.7 | 22% | 0.224 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 106 | 173.9 | -70.9 | -89.8 | 0 | 0 | 0 | 108.4 | Y117 A156 M160 I194 H195 L196 I197 | Y117-F158 HydrophobicContact CD1-CE1 4.49Å; Y117-F158 AromaticContact CD2-CD1 3.98Å; Y117-F158 HydrophobicContact CD2-CD1 3.98Å; Y117-F158 AromaticContact CD2-CE1 3.53Å; Y117-F158 HydrophobicContact CD2-CE1 3.53Å; Y117-F158 HydrophobicContact CD2-CE2 4.22Å; Y117-F158 HydrophobicContact CD2-CG 4.49Å; Y117-F158 AromaticContact CD2-CZ 3.67Å; Y117-F158 HydrophobicContact CD2-CZ 3.67Å; Y117-F158 HydrophobicContact CE2-CE1 4.18Å; Y117-F158 AromaticContact CE2-CZ 3.95Å; Y117-F158 HydrophobicContact CE2-CZ 3.95Å; Y117-F158 HydrophobicContact CG-CD1 4.04Å; Y117-F158 AromaticContact CG-CE1 3.71Å; Y117-F158 HydrophobicContact CG-CE1 3.71Å; Y117-F158 HydrophobicContact CG-CZ 4.3Å; A156-F158 HydrophobicContact CB-CD2 4.37Å; A156-F158 HydrophobicContact CB-CE2 3.75Å; A156-F158 HydrophobicContact CB-CZ 4.46Å; F158-M160 HydrophobicContact CB-SD 3.97Å; F158-M160 PolarHBondContact O-N 3.17Å; F158-I194 HydrophobicContact CD2-CG2 3.9Å; F158-I194 HydrophobicContact CE2-CG2 3.96Å; F158-H195 PolarHBondContact N-O 3.46Å; F158-L196 HydrophobicContact CB-CD2 4.05Å; F158-I197 PolarHBondContact O-N 3.1Å |
| 159 | D | 98.5 | Very high | 96.5 | Very high | 12 Ų | 12 | 37.9 Ų | 37.9 | 6% | 0.064 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 102.4 | 168.6 | -173.9 | 0.4 | 0 | 0 | 0 | 109.5 | Y117 R118 I119 Q161 I197 N198 Y246 | Y117-D159 PolarHBondContact O-N 3.21Å; R118-D159 HydrophobicContact CG-CB 4.39Å; I119-D159 WeakPolarHBondContact CB-O 3.27Å; I119-D159 WeakPolarHBondContact CG1-O 3.04Å; I119-D159 PolarHBondContact N-O 3.01Å; D159-Q161 PolarHBondContact O-N 3.11Å; D159-Q161 VanDerWaalsContact OD1-CB 3.26Å; D159-Q161 WeakPolarHBondContact OD1-CB 3.12Å; D159-Q161 PolarHBondContact OD1-N 2.92Å; D159-Q161 VanDerWaalsContact OD1-N 3.12Å; D159-I197 HydrophobicContact CB-CD1 3.97Å; D159-I197 HydrophobicContact CB-CG1 3.94Å; D159-N198 PolarHBondContact OD1-ND2 3.31Å; D159-Y246 HydrophobicContact CB-CE1 4.19Å; D159-Y246 WeakPolarHBondContact CB-OH 3.35Å; D159-Y246 VanDerWaalsContact OD2-CE1 3.31Å; D159-Y246 WeakPolarHBondContact OD2-CE1 3.23Å; D159-Y246 PolarHBondContact OD2-OH 2.91Å |
| 160 | M | 97.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.025 | 22% | 0.216 | C | C | . | . | trans | -84.4 | 4.3 | -175.2 | -57.9 | -61.6 | -64.3 | 0 | 0 | 112.4 | I119 F158 G162 W163 L196 I197 E199 F203 | I119-M160 HydrophobicContact CD1-SD 4.41Å; I119-M160 HydrophobicContact CG1-CE 4.24Å; I119-M160 HydrophobicContact CG1-SD 3.62Å; F158-M160 HydrophobicContact CB-SD 3.97Å; F158-M160 PolarHBondContact O-N 3.17Å; M160-G162 PolarHBondContact O-N 3.41Å; M160-W163 HydrophobicContact CE-CB 4.18Å; M160-W163 HydrophobicContact CE-CD2 3.67Å; M160-W163 HydrophobicContact CE-CE3 3.45Å; M160-W163 VanDerWaalsContact CE-CE3 3.45Å; M160-W163 HydrophobicContact CE-CG 3.96Å; M160-W163 HydrophobicContact CE-CZ3 4.16Å; M160-W163 WeakPolarHBondContact O-CB 3.07Å; M160-W163 PolarHBondContact O-N 3.15Å; M160-L196 HydrophobicContact CG-CD2 3.89Å; M160-L196 HydrophobicContact SD-CD2 3.76Å; M160-I197 VanDerWaalsContact CB-O 3.29Å; M160-I197 WeakPolarHBondContact CB-O 3.48Å; M160-I197 PolarHBondContact N-O 3.24Å; M160-E199 HydrophobicContact CB-CB 3.97Å; M160-E199 HydrophobicContact CG-CB 3.81Å; M160-F203 HydrophobicContact CE-CD2 3.35Å; M160-F203 HydrophobicContact CE-CE2 3.44Å; M160-F203 VanDerWaalsContact CE-CE2 3.44Å; M160-F203 HydrophobicContact CE-CG 3.94Å; M160-F203 HydrophobicContact CE-CZ 4.09Å | ||
| 161 | Q | 96.9 | Very high | 96 | Very high | 131 Ų | 131 | 40.6 Ų | 40.6 | 61% | 0.612 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 129.2 | 171.6 | -172.1 | 174.2 | 11.6 | 0 | 0 | 109.7 | G120 D159 N198 | G120-Q161 VanDerWaalsContact CA-O 3.24Å; G120-Q161 WeakPolarHBondContact CA-O 3.35Å; G120-Q161 PolarHBondContact N-O 3.2Å; D159-Q161 PolarHBondContact O-N 3.11Å; D159-Q161 VanDerWaalsContact OD1-CB 3.26Å; D159-Q161 WeakPolarHBondContact OD1-CB 3.12Å; D159-Q161 PolarHBondContact OD1-N 2.92Å; D159-Q161 VanDerWaalsContact OD1-N 3.12Å; Q161-N198 HydrophobicContact CB-CB 3.96Å |
| 162 | G | 95.6 | Very high | 95.8 | Very high | 49 Ų | 49 | 41 Ų | 41 | 51% | 0.505 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -1.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | M160 C164 H167 | M160-G162 PolarHBondContact O-N 3.41Å; G162-C164 PolarHBondContact O-N 3.32Å; G162-H167 PolarHBondContact O-CE1 3.26Å |
| 163 | W | 95.2 | Very high | 95.5 | Very high | 17 Ų | 17 | 42.8 Ų | 42.8 | 6% | 0.064 | 24% | 0.239 | C | C | . | . | trans | -56.1 | 136.5 | 170.3 | 178.8 | -92.4 | 0 | 0 | 0 | 111.1 | I119 W122 M160 H167 A168 I171 P200 F202 F203 V206 | I119-W163 HydrophobicContact CG2-CB 4.04Å; I119-W163 HydrophobicContact CG2-CD2 4.49Å; I119-W163 HydrophobicContact CG2-CE3 3.72Å; W122-W163 HydrophobicContact CZ3-CZ3 4.43Å; M160-W163 HydrophobicContact CE-CB 4.18Å; M160-W163 HydrophobicContact CE-CD2 3.67Å; M160-W163 HydrophobicContact CE-CE3 3.45Å; M160-W163 VanDerWaalsContact CE-CE3 3.45Å; M160-W163 HydrophobicContact CE-CG 3.96Å; M160-W163 HydrophobicContact CE-CZ3 4.16Å; M160-W163 WeakPolarHBondContact O-CB 3.07Å; M160-W163 PolarHBondContact O-N 3.15Å; W163-H167 HydrophobicContact CD2-CB 4.12Å; W163-H167 HydrophobicContact CE3-CB 3.79Å; W163-H167 HydrophobicContact CH2-CB 3.79Å; W163-H167 HydrophobicContact CZ2-CB 4.16Å; W163-H167 HydrophobicContact CZ3-CB 3.62Å; W163-A168 HydrophobicContact CZ2-CB 3.71Å; W163-I171 HydrophobicContact CH2-CD1 3.74Å; W163-I171 HydrophobicContact CZ3-CD1 4.47Å; W163-P200 HydrophobicContact CB-CG 4.03Å; W163-P200 HydrophobicContact CG-CG 4.1Å; W163-F202 AromaticContact CD1-CD2 3.76Å; W163-F202 AromaticContact CD1-CE2 3.36Å; W163-F202 HydrophobicContact CG-CE2 4.45Å; W163-F202 AromaticContact NE1-CD2 3.91Å; W163-F202 AromaticContact NE1-CE2 3.91Å; W163-F202 WeakPolarHBondContact O-CE2 3.25Å; W163-F202 WeakPolarHBondContact O-CZ 3.49Å; W163-F203 HydrophobicContact CD2-CD2 4.27Å; W163-F203 AromaticContact CE2-CD2 3.95Å; W163-F203 HydrophobicContact CZ2-CD2 4.1Å; W163-V206 HydrophobicContact CH2-CG2 4.29Å; W163-V206 HydrophobicContact CZ2-CB 4.45Å; W163-V206 HydrophobicContact CZ2-CG2 3.79Å | ||
| 164 | C | 93.8 | Very high | 95.2 | Very high | 46 Ų | 46 | 46 Ų | 46 | 31% | 0.311 | 26% | 0.262 | S | S | . | . | trans | -150 | 172.4 | -172.7 | 80.4 | 0 | 0 | 0 | 0 | 110.7 | G162 A166 H167 A168 | G162-C164 PolarHBondContact O-N 3.32Å; C164-A166 VanDerWaalsContact C-N 3.27Å; C164-A166 PolarHBondContact O-N 2.93Å; C164-H167 PolarHBondContact N-ND1 2.73Å; C164-H167 VanDerWaalsContact N-ND1 3.18Å; C164-H167 WeakPolarHBondContact O-CB 3.37Å; C164-H167 PolarHBondContact O-N 2.81Å; C164-H167 PolarHBondContact SG-ND1 3.01Å; C164-A168 PolarHBondContact O-N 3.41Å | ||
| 165 | F | 91.9 | Very high | 94.8 | Very high | 147 Ų | 147 | 45.3 Ų | 45.3 | 65% | 0.645 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.6 | -31.7 | -177 | -166.9 | -108.1 | 0 | 0 | 0 | 113.3 | H167 A168 L169 | F165-H167 VanDerWaalsContact C-N 3.29Å; F165-H167 PolarHBondContact O-N 2.84Å; F165-A168 WeakPolarHBondContact O-CB 3.49Å; F165-A168 PolarHBondContact O-N 3.08Å; F165-A168 VanDerWaalsContact O-N 3.13Å; F165-L169 HydrophobicContact CD1-CD1 3.66Å; F165-L169 HydrophobicContact CD1-CD2 4.35Å; F165-L169 HydrophobicContact CD1-CG 3.78Å; F165-L169 HydrophobicContact CE1-CD1 3.54Å; F165-L169 HydrophobicContact CE1-CD2 3.59Å; F165-L169 HydrophobicContact CE1-CG 3.53Å; F165-L169 HydrophobicContact CZ-CD2 3.76Å; F165-L169 HydrophobicContact CZ-CG 4.07Å; F165-L169 WeakPolarHBondContact O-CG 3.34Å; F165-L169 PolarHBondContact O-N 2.66Å |
| 166 | A | 94.8 | Very high | 94.4 | Very high | 45 Ų | 45 | 44.1 Ų | 44.1 | 37% | 0.372 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P124 C164 | P124-A166 HydrophobicContact CB-CB 4.27Å; P124-A166 HydrophobicContact CG-CB 3.6Å; C164-A166 VanDerWaalsContact C-N 3.27Å; C164-A166 PolarHBondContact O-N 2.93Å |
| 167 | H | 95.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 50.2 Ų | 50.2 | 3% | 0.028 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65 | -46.7 | 171 | -60.3 | 119.9 | 0 | 0 | 0 | 111.6 | W122 P124 G162 W163 C164 F165 L169 Q170 | W122-H167 AromaticContact CD2-CD2 3.52Å; W122-H167 AromaticContact CD2-NE2 3.97Å; W122-H167 AromaticContact CE2-CD2 3.95Å; W122-H167 AromaticContact CE3-CD2 3.33Å; W122-H167 AromaticContact CE3-NE2 3.99Å; W122-H167 HydrophobicContact CH2-CB 4.33Å; W122-H167 HydrophobicContact CZ3-CB 4.03Å; W122-H167 AromaticContact CZ3-CD2 3.61Å; W122-H167 PolarHBondContact O-NE2 3.24Å; P124-H167 WeakPolarHBondContact CD-NE2 3.48Å; G162-H167 PolarHBondContact O-CE1 3.26Å; W163-H167 HydrophobicContact CD2-CB 4.12Å; W163-H167 HydrophobicContact CE3-CB 3.79Å; W163-H167 HydrophobicContact CH2-CB 3.79Å; W163-H167 HydrophobicContact CZ2-CB 4.16Å; W163-H167 HydrophobicContact CZ3-CB 3.62Å; C164-H167 PolarHBondContact N-ND1 2.73Å; C164-H167 VanDerWaalsContact N-ND1 3.18Å; C164-H167 WeakPolarHBondContact O-CB 3.37Å; C164-H167 PolarHBondContact O-N 2.81Å; C164-H167 PolarHBondContact SG-ND1 3.01Å; F165-H167 VanDerWaalsContact C-N 3.29Å; F165-H167 PolarHBondContact O-N 2.84Å; H167-L169 VanDerWaalsContact C-N 3.3Å; H167-L169 PolarHBondContact O-N 3.19Å; H167-Q170 PolarHBondContact O-N 3.19Å; H167-Q170 VanDerWaalsContact O-N 3.16Å |
| 168 | A | 92.6 | Very high | 93.7 | Very high | 20 Ų | 20 | 52.6 Ų | 52.6 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60 | -39.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W163 C164 F165 Q170 I171 V206 | W163-A168 HydrophobicContact CZ2-CB 3.71Å; C164-A168 PolarHBondContact O-N 3.41Å; F165-A168 WeakPolarHBondContact O-CB 3.49Å; F165-A168 PolarHBondContact O-N 3.08Å; F165-A168 VanDerWaalsContact O-N 3.13Å; A168-Q170 PolarHBondContact O-N 3.09Å; A168-I171 PolarHBondContact O-N 3.37Å; A168-V206 HydrophobicContact CB-CG2 4.02Å |
| 169 | L | 93.3 | Very high | 93.2 | Very high | 122 Ų | 122 | 51.1 Ų | 51.1 | 64% | 0.639 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.4 | -21.9 | 179.2 | -75.8 | 177.4 | 0 | 0 | 0 | 114 | F165 H167 I171 | F165-L169 HydrophobicContact CD1-CD1 3.66Å; F165-L169 HydrophobicContact CD1-CD2 4.35Å; F165-L169 HydrophobicContact CD1-CG 3.78Å; F165-L169 HydrophobicContact CE1-CD1 3.54Å; F165-L169 HydrophobicContact CE1-CD2 3.59Å; F165-L169 HydrophobicContact CE1-CG 3.53Å; F165-L169 HydrophobicContact CZ-CD2 3.76Å; F165-L169 HydrophobicContact CZ-CG 4.07Å; F165-L169 WeakPolarHBondContact O-CG 3.34Å; F165-L169 PolarHBondContact O-N 2.66Å; H167-L169 VanDerWaalsContact C-N 3.3Å; H167-L169 PolarHBondContact O-N 3.19Å; L169-I171 VanDerWaalsContact C-N 3.27Å |
| 170 | Q | 93.9 | Very high | 92.9 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 19% | 0.192 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -17 | 175.4 | -61.1 | -144.8 | 22.5 | 0 | 0 | 112.9 | W122 P124 F127 T128 V129 H167 A168 | W122-Q170 HydrophobicContact CH2-CB 4.41Å; W122-Q170 HydrophobicContact CZ2-CB 4.42Å; W122-Q170 HydrophobicContact CZ2-CG 4.3Å; P124-Q170 PolarHBondContact O-NE2 3.31Å; F127-Q170 PolarHBondContact O-NE2 2.93Å; T128-Q170 VanDerWaalsContact CA-OE1 3.23Å; V129-Q170 HydrophobicContact CB-CB 3.86Å; V129-Q170 HydrophobicContact CG1-CB 3.98Å; V129-Q170 WeakPolarHBondContact CG1-O 3.17Å; H167-Q170 PolarHBondContact O-N 3.19Å; H167-Q170 VanDerWaalsContact O-N 3.16Å; A168-Q170 PolarHBondContact O-N 3.09Å |
| 171 | I | 92.1 | Very high | 92.6 | Very high | 23 Ų | 23 | 51.5 Ų | 51.5 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | trans | -96.3 | 111.7 | -176.5 | -55.4 | 177.3 | 0 | 0 | 0 | 110.1 | V129 W163 A168 L169 V206 M209 | V129-I171 HydrophobicContact CG2-CG1 4.35Å; W163-I171 HydrophobicContact CH2-CD1 3.74Å; W163-I171 HydrophobicContact CZ3-CD1 4.47Å; A168-I171 PolarHBondContact O-N 3.37Å; L169-I171 VanDerWaalsContact C-N 3.27Å; I171-V206 HydrophobicContact CD1-CG1 3.56Å; I171-V206 HydrophobicContact CD1-CG2 4.45Å; I171-V206 HydrophobicContact CG2-CG1 4.34Å; I171-M209 HydrophobicContact CG2-SD 4.23Å | ||
| 172 | N | 91.5 | Very high | 92.4 | Very high | 59 Ų | 59 | 47 Ų | 47 | 32% | 0.316 | 27% | 0.267 | S | S | . | . | trans | -108.8 | 166.2 | 173.4 | 68.1 | 59.2 | 0 | 0 | 0 | 111.5 | S174 L175 A176 | N172-S174 VanDerWaalsContact C-N 3.3Å; N172-S174 PolarHBondContact O-N 3.38Å; N172-S174 WeakPolarHBondContact OD1-CA 3.39Å; N172-S174 VanDerWaalsContact OD1-CB 3.31Å; N172-S174 WeakPolarHBondContact OD1-CB 3.37Å; N172-S174 PolarHBondContact OD1-N 3.3Å; N172-L175 PolarHBondContact O-N 3.39Å; N172-L175 PolarHBondContact OD1-N 3.33Å; N172-A176 PolarHBondContact O-N 3.36Å | ||
| 173 | P | 91.6 | Very high | 92.1 | Very high | 79 Ų | 79 | 46.9 Ų | 46.9 | 51% | 0.513 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.1 | -33.4 | -177.8 | -27.8 | 36.3 | 0 | 0 | 0 | 115 | A176 K177 M209 | P173-A176 PolarHBondContact O-N 2.98Å; P173-K177 PolarHBondContact O-N 2.87Å; P173-M209 HydrophobicContact CB-SD 4.45Å; P173-M209 HydrophobicContact CG-CE 4.39Å; P173-M209 HydrophobicContact CG-CG 4.49Å; P173-M209 HydrophobicContact CG-SD 4.02Å |
| 174 | S | 91 | Very high | 91.7 | Very high | 67 Ų | 67 | 47.8 Ų | 47.8 | 47% | 0.469 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 177.2 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | N172 K177 R178 | N172-S174 VanDerWaalsContact C-N 3.3Å; N172-S174 PolarHBondContact O-N 3.38Å; N172-S174 WeakPolarHBondContact OD1-CA 3.39Å; N172-S174 VanDerWaalsContact OD1-CB 3.31Å; N172-S174 WeakPolarHBondContact OD1-CB 3.37Å; N172-S174 PolarHBondContact OD1-N 3.3Å; S174-K177 WeakPolarHBondContact O-CB 3.49Å; S174-K177 PolarHBondContact O-N 3.05Å; S174-R178 WeakPolarHBondContact O-CG 3.43Å; S174-R178 PolarHBondContact O-N 3.27Å; S174-R178 VanDerWaalsContact O-N 3.1Å |
| 175 | L | 90.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 174.9 | -177 | 60.9 | 0 | 0 | 0 | 111.6 | I83 V129 Y130 F133 N172 K177 R178 I179 | I83-L175 HydrophobicContact CD1-CD1 4.3Å; V129-L175 HydrophobicContact CB-CD2 4.04Å; V129-L175 HydrophobicContact CG1-CD2 3.26Å; V129-L175 HydrophobicContact CG2-CD2 3.59Å; Y130-L175 HydrophobicContact CD1-CD1 4.26Å; Y130-L175 HydrophobicContact CE1-CD1 3.98Å; F133-L175 HydrophobicContact CD2-CD1 4.19Å; F133-L175 HydrophobicContact CD2-CD2 4.49Å; F133-L175 HydrophobicContact CE2-CD2 4.38Å; N172-L175 PolarHBondContact O-N 3.39Å; N172-L175 PolarHBondContact OD1-N 3.33Å; L175-K177 PolarHBondContact O-N 2.76Å; L175-R178 WeakPolarHBondContact O-CB 3.35Å; L175-R178 PolarHBondContact O-N 3.27Å; L175-I179 HydrophobicContact CD1-CD1 4.42Å; L175-I179 HydrophobicContact CD1-CG1 4.26Å; L175-I179 HydrophobicContact CG-CD1 3.9Å; L175-I179 HydrophobicContact CG-CG1 4.25Å; L175-I179 VanDerWaalsContact O-CG1 3.22Å; L175-I179 WeakPolarHBondContact O-CG1 3.32Å; L175-I179 PolarHBondContact O-N 3.41Å |
| 176 | A | 91.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N172 P173 S180 M209 L210 F213 | N172-A176 PolarHBondContact O-N 3.36Å; P173-A176 PolarHBondContact O-N 2.98Å; A176-S180 WeakPolarHBondContact O-CB 3.33Å; A176-S180 PolarHBondContact O-N 3.34Å; A176-S180 PolarHBondContact O-OG 2.89Å; A176-M209 HydrophobicContact CB-CG 3.91Å; A176-M209 HydrophobicContact CB-SD 3.98Å; A176-L210 HydrophobicContact CB-CD2 3.72Å; A176-L210 HydrophobicContact CB-CG 4.37Å; A176-L210 WeakPolarHBondContact O-CD2 3.49Å; A176-F213 HydrophobicContact CB-CD2 4.47Å; A176-F213 HydrophobicContact CB-CE2 4.31Å |
| 177 | K | 92.2 | Very high | 91.9 | Very high | 134 Ų | 134 | 39.6 Ų | 39.6 | 58% | 0.583 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -64.4 | -45.5 | 174.1 | -174.5 | -177.1 | 177.5 | -172.9 | 0 | 112.1 | P173 S174 L175 I179 S180 S181 F213 | P173-K177 PolarHBondContact O-N 2.87Å; S174-K177 WeakPolarHBondContact O-CB 3.49Å; S174-K177 PolarHBondContact O-N 3.05Å; L175-K177 PolarHBondContact O-N 2.76Å; K177-I179 PolarHBondContact O-N 3.03Å; K177-S180 PolarHBondContact O-N 3.5Å; K177-S181 PolarHBondContact O-N 2.91Å; K177-F213 HydrophobicContact CB-CD1 4.36Å; K177-F213 HydrophobicContact CB-CD2 4.44Å; K177-F213 HydrophobicContact CB-CE1 4.3Å; K177-F213 HydrophobicContact CB-CE2 4.38Å; K177-F213 HydrophobicContact CB-CG 4.43Å; K177-F213 HydrophobicContact CB-CZ 4.31Å; K177-F213 HydrophobicContact CG-CD1 4.19Å; K177-F213 HydrophobicContact CG-CE1 4.32Å |
| 178 | R | 90.4 | Very high | 92 | Very high | 51 Ų | 51 | 39.6 Ų | 39.6 | 19% | 0.192 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.7 | -37.1 | 178.2 | -70 | 167.9 | 164.7 | 177.4 | -17.4 | 113.1 | W76 E79 C80 E82 S174 L175 S181 V182 | W76-R178 PolarHBondContact NE1-O 2.94Å; E79-R178 PolarHBondContact O-NH2 3.08Å; C80-R178 WeakPolarHBondContact SG-CD 3.46Å; C80-R178 VanDerWaalsContact SG-CG 3.57Å; C80-R178 PolarHBondContact SG-NE 3.17Å; E82-R178 IonicContact OE1-CZ 3.5Å; E82-R178 IonicContact OE1-NH1 2.73Å; E82-R178 PolarHBondContact OE1-NH1 3.2Å; E82-R178 IonicContact OE1-NH2 3.78Å; E82-R178 PolarHBondContact OE1-NH2 3.08Å; E82-R178 IonicContact OE2-NH2 2.86Å; S174-R178 WeakPolarHBondContact O-CG 3.43Å; S174-R178 PolarHBondContact O-N 3.27Å; S174-R178 VanDerWaalsContact O-N 3.1Å; L175-R178 WeakPolarHBondContact O-CB 3.35Å; L175-R178 PolarHBondContact O-N 3.27Å; R178-S181 PolarHBondContact O-OG 3.1Å; R178-V182 PolarHBondContact O-N 2.77Å |
| 179 | I | 88.5 | Confident | 92.2 | Very high | 19 Ų | 19 | 39.3 Ų | 39.3 | 10% | 0.097 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -47.7 | 173.6 | -62.1 | 163.4 | 0 | 0 | 0 | 109.6 | F133 L175 K177 S181 V182 L183 L210 | F133-I179 HydrophobicContact CD1-CG1 4.15Å; F133-I179 HydrophobicContact CD2-CD1 4.27Å; F133-I179 HydrophobicContact CD2-CG1 4.16Å; F133-I179 HydrophobicContact CE1-CB 4.23Å; F133-I179 HydrophobicContact CE1-CD1 3.94Å; F133-I179 HydrophobicContact CE1-CG1 3.52Å; F133-I179 HydrophobicContact CE1-CG2 3.8Å; F133-I179 HydrophobicContact CE2-CD1 3.26Å; F133-I179 HydrophobicContact CE2-CG1 3.54Å; F133-I179 HydrophobicContact CG-CG1 4.48Å; F133-I179 HydrophobicContact CZ-CB 4.21Å; F133-I179 HydrophobicContact CZ-CD1 3.09Å; F133-I179 HydrophobicContact CZ-CG1 3.22Å; F133-I179 HydrophobicContact CZ-CG2 3.95Å; L175-I179 HydrophobicContact CD1-CD1 4.42Å; L175-I179 HydrophobicContact CD1-CG1 4.26Å; L175-I179 HydrophobicContact CG-CD1 3.9Å; L175-I179 HydrophobicContact CG-CG1 4.25Å; L175-I179 VanDerWaalsContact O-CG1 3.22Å; L175-I179 WeakPolarHBondContact O-CG1 3.32Å; L175-I179 PolarHBondContact O-N 3.41Å; K177-I179 PolarHBondContact O-N 3.03Å; I179-S181 VanDerWaalsContact C-N 3.28Å; I179-S181 PolarHBondContact O-N 3.18Å; I179-V182 PolarHBondContact O-N 3.08Å; I179-L183 HydrophobicContact CG2-CD1 4.22Å; I179-L183 WeakPolarHBondContact O-CG 3.49Å; I179-L183 PolarHBondContact O-N 3.4Å; I179-L210 HydrophobicContact CB-CD2 4.24Å; I179-L210 HydrophobicContact CD1-CD2 4.23Å; I179-L210 HydrophobicContact CG2-CD2 4.3Å |
| 180 | S | 91 | Very high | 92.4 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.7 | -33.5 | -177.3 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | A176 K177 L183 T184 F213 | A176-S180 WeakPolarHBondContact O-CB 3.33Å; A176-S180 PolarHBondContact O-N 3.34Å; A176-S180 PolarHBondContact O-OG 2.89Å; K177-S180 PolarHBondContact O-N 3.5Å; S180-L183 PolarHBondContact O-N 3.43Å; S180-T184 WeakPolarHBondContact O-CB 3.4Å; S180-T184 WeakPolarHBondContact O-CG2 3.49Å; S180-T184 PolarHBondContact O-N 3.26Å; S180-T184 PolarHBondContact O-OG1 2.88Å; S180-F213 VanDerWaalsContact CB-CB 3.45Å; S180-F213 WeakPolarHBondContact OG-CB 3.49Å |
| 181 | S | 92.5 | Very high | 92.6 | Very high | 23 Ų | 23 | 33.1 Ų | 33.1 | 16% | 0.161 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.6 | -40.4 | 176.3 | 70.5 | 0 | 0 | 0 | 0 | 112.3 | W76 K177 R178 I179 L183 T184 D185 S186 | W76-S181 PolarHBondContact NE1-OG 2.83Å; K177-S181 PolarHBondContact O-N 2.91Å; R178-S181 PolarHBondContact O-OG 3.1Å; I179-S181 VanDerWaalsContact C-N 3.28Å; I179-S181 PolarHBondContact O-N 3.18Å; S181-L183 VanDerWaalsContact C-N 3.34Å; S181-L183 PolarHBondContact O-N 2.86Å; S181-T184 PolarHBondContact O-N 3.26Å; S181-T184 PolarHBondContact O-OG1 3.47Å; S181-D185 PolarHBondContact O-N 3.25Å; S181-S186 WeakPolarHBondContact CB-OG 3.41Å; S181-S186 WeakPolarHBondContact O-CB 3.46Å; S181-S186 PolarHBondContact O-N 3.16Å; S181-S186 PolarHBondContact O-OG 3.23Å |
| 182 | V | 91.8 | Very high | 92.8 | Very high | 36 Ų | 36 | 36.4 Ų | 36.4 | 22% | 0.218 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 174.5 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | W76 R178 I179 T184 F187 | W76-V182 HydrophobicContact CD2-CG2 3.93Å; W76-V182 HydrophobicContact CE3-CG2 4.44Å; W76-V182 HydrophobicContact CH2-CG2 3.92Å; W76-V182 HydrophobicContact CZ2-CG2 3.31Å; W76-V182 HydrophobicContact CZ3-CG2 4.43Å; R178-V182 PolarHBondContact O-N 2.77Å; I179-V182 PolarHBondContact O-N 3.08Å; V182-T184 PolarHBondContact O-N 2.91Å; V182-T184 VanDerWaalsContact O-N 3.16Å; V182-F187 HydrophobicContact CG1-CB 4Å |
| 183 | L | 88.9 | Confident | 93.2 | Very high | 48 Ų | 48 | 33.6 Ų | 33.6 | 25% | 0.251 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -13.5 | 179.5 | -66 | 176.5 | 0 | 0 | 0 | 113.9 | I179 S180 S181 V191 I194 L214 | I179-L183 HydrophobicContact CG2-CD1 4.22Å; I179-L183 WeakPolarHBondContact O-CG 3.49Å; I179-L183 PolarHBondContact O-N 3.4Å; S180-L183 PolarHBondContact O-N 3.43Å; S181-L183 VanDerWaalsContact C-N 3.34Å; S181-L183 PolarHBondContact O-N 2.86Å; L183-V191 HydrophobicContact CD2-CG2 4.07Å; L183-I194 HydrophobicContact CD1-CD1 4.11Å; L183-I194 HydrophobicContact CD2-CD1 4.12Å; L183-L214 HydrophobicContact CD1-CD2 4.13Å |
| 184 | T | 87.6 | Confident | 93.5 | Very high | 36 Ų | 36 | 30.5 Ų | 30.5 | 22% | 0.221 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | -56.5 | -165.1 | 57 | 0 | 0 | 0 | 0 | 113.2 | R59 S180 S181 V182 L214 P215 I218 | R59-T184 PolarHBondContact NH2-O 3.03Å; S180-T184 WeakPolarHBondContact O-CB 3.4Å; S180-T184 WeakPolarHBondContact O-CG2 3.49Å; S180-T184 PolarHBondContact O-N 3.26Å; S180-T184 PolarHBondContact O-OG1 2.88Å; S181-T184 PolarHBondContact O-N 3.26Å; S181-T184 PolarHBondContact O-OG1 3.47Å; V182-T184 PolarHBondContact O-N 2.91Å; V182-T184 VanDerWaalsContact O-N 3.16Å; T184-L214 HydrophobicContact CG2-CD2 4.48Å; T184-P215 HydrophobicContact CG2-CG 3.58Å; T184-I218 HydrophobicContact CG2-CG1 3.93Å |
| 185 | D | 92.4 | Very high | 93.8 | Very high | 55 Ų | 55 | 27.3 Ų | 27.3 | 29% | 0.294 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -146.6 | 10.9 | -164.6 | 81.6 | -17.8 | 0 | 0 | 0 | 115.8 | L69 N72 S181 | L69-D185 WeakPolarHBondContact CD1-O 3.34Å; N72-D185 WeakPolarHBondContact CB-O 3.45Å; N72-D185 VanDerWaalsContact ND2-CG 3.33Å; N72-D185 PolarHBondContact ND2-O 3.42Å; N72-D185 PolarHBondContact ND2-OD2 3.23Å; S181-D185 PolarHBondContact O-N 3.25Å |
| 186 | S | 95 | Very high | 94.2 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -123.5 | 2 | -177.6 | -56.8 | 0 | 0 | 0 | 0 | 114.7 | Y73 S181 | Y73-S186 VanDerWaalsContact CA-O 3.3Å; Y73-S186 WeakPolarHBondContact CA-O 3.47Å; Y73-S186 WeakPolarHBondContact CB-O 3.33Å; Y73-S186 WeakPolarHBondContact CD2-O 3.48Å; S181-S186 WeakPolarHBondContact CB-OG 3.41Å; S181-S186 WeakPolarHBondContact O-CB 3.46Å; S181-S186 PolarHBondContact O-N 3.16Å; S181-S186 PolarHBondContact O-OG 3.23Å |
| 187 | F | 97.1 | Very high | 94.6 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 2% | 0.022 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -141.5 | 139.6 | 173 | -159.2 | -83.4 | 0 | 0 | 0 | 111.2 | Y73 L137 S140 E141 V144 V182 L189 | Y73-F187 HydrophobicContact CD2-CD2 4.03Å; Y73-F187 HydrophobicContact CD2-CE2 4.39Å; Y73-F187 AromaticContact CE2-CD2 3.92Å; Y73-F187 HydrophobicContact CE2-CD2 3.92Å; Y73-F187 AromaticContact CE2-CE2 3.83Å; Y73-F187 HydrophobicContact CE2-CE2 3.83Å; L137-F187 HydrophobicContact CD1-CD2 3.93Å; L137-F187 HydrophobicContact CD1-CE2 3.56Å; S140-F187 VanDerWaalsContact CB-CZ 3.49Å; E141-F187 HydrophobicContact CG-CE2 4.14Å; E141-F187 HydrophobicContact CG-CZ 4.09Å; E141-F187 WeakPolarHBondContact OE1-CE2 3.35Å; V144-F187 HydrophobicContact CB-CE1 4.14Å; V144-F187 HydrophobicContact CG1-CE1 4.22Å; V144-F187 HydrophobicContact CG1-CZ 4.29Å; V144-F187 HydrophobicContact CG2-CE1 4.36Å; V182-F187 HydrophobicContact CG1-CB 4Å; F187-L189 HydrophobicContact CD1-CB 3.99Å; F187-L189 HydrophobicContact CD1-CD1 3.62Å; F187-L189 HydrophobicContact CD1-CG 3.69Å; F187-L189 HydrophobicContact CE1-CB 4.49Å; F187-L189 HydrophobicContact CE1-CD1 3.41Å; F187-L189 VanDerWaalsContact CE1-CD1 3.41Å; F187-L189 HydrophobicContact CE1-CG 3.69Å; F187-L189 PolarHBondContact O-N 3.37Å |
| 188 | P | 97.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 3% | 0.032 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -78.6 | 50.2 | -175.8 | 31.9 | -35 | 0 | 0 | 0 | 114.2 | K54 F55 A58 L69 V144 | K54-P188 HydrophobicContact CB-CB 4Å; K54-P188 HydrophobicContact CB-CG 4.14Å; F55-P188 HydrophobicContact CD1-CB 4.04Å; F55-P188 HydrophobicContact CD1-CG 4.4Å; F55-P188 HydrophobicContact CE1-CB 4.08Å; F55-P188 HydrophobicContact CE1-CG 3.95Å; F55-P188 HydrophobicContact CE2-CG 4.37Å; F55-P188 HydrophobicContact CG-CB 4.32Å; F55-P188 HydrophobicContact CZ-CB 4.44Å; F55-P188 HydrophobicContact CZ-CG 3.95Å; A58-P188 HydrophobicContact CB-CB 4.06Å; L69-P188 HydrophobicContact CD2-CB 4.22Å; V144-P188 HydrophobicContact CG2-CG 4.17Å; V144-P188 WeakPolarHBondContact CG2-O 3.39Å |
| 189 | L | 97.3 | Very high | 95 | Very high | 15 Ų | 15 | 22.6 Ų | 22.6 | 8% | 0.079 | 12% | 0.116 | C | C | . | . | trans | -126.1 | 141.6 | 172.6 | -75.2 | 169.6 | 0 | 0 | 0 | 111 | I143 V144 T149 L154 F187 | I143-L189 HydrophobicContact CD1-CD1 4.06Å; I143-L189 HydrophobicContact CG1-CD1 4.01Å; I143-L189 HydrophobicContact CG1-CD2 4.43Å; V144-L189 HydrophobicContact CB-CD1 4.38Å; V144-L189 HydrophobicContact CB-CD2 3.92Å; V144-L189 HydrophobicContact CB-CG 4.12Å; V144-L189 HydrophobicContact CG2-CD2 3.82Å; V144-L189 HydrophobicContact CG2-CG 4Å; T149-L189 HydrophobicContact CG2-CD2 3.58Å; L154-L189 HydrophobicContact CD2-CB 4.05Å; L154-L189 HydrophobicContact CD2-CD1 3.75Å; L154-L189 HydrophobicContact CD2-CD2 4.48Å; L154-L189 HydrophobicContact CD2-CG 4.32Å; F187-L189 HydrophobicContact CD1-CB 3.99Å; F187-L189 HydrophobicContact CD1-CD1 3.62Å; F187-L189 HydrophobicContact CD1-CG 3.69Å; F187-L189 HydrophobicContact CE1-CB 4.49Å; F187-L189 HydrophobicContact CE1-CD1 3.41Å; F187-L189 VanDerWaalsContact CE1-CD1 3.41Å; F187-L189 HydrophobicContact CE1-CG 3.69Å; F187-L189 PolarHBondContact O-N 3.37Å | ||
| 190 | K | 97 | Very high | 95.1 | Very high | 21 Ų | 21 | 23.1 Ų | 23.1 | 9% | 0.091 | 12% | 0.121 | C | C | . | . | trans | -89.2 | 106.1 | 174.7 | -63.3 | 177.1 | -168.6 | 175.2 | 0 | 109 | R57 D60 G153 L154 R192 | R57-K190 WeakPolarHBondContact O-CE 3.22Å; R57-K190 PolarHBondContact O-NZ 2.89Å; D60-K190 IonicContact OD1-NZ 3.9Å; D60-K190 PolarHBondContact OD1-NZ 3.4Å; G153-K190 CarbonylContact C-O 3.57Å; G153-K190 WeakPolarHBondContact CA-O 3.3Å; L154-K190 PolarHBondContact N-O 3.12Å; K190-R192 PolarHBondContact O-N 3.28Å | ||
| 191 | V | 97.6 | Very high | 94.8 | Very high | 11 Ų | 11 | 29.5 Ų | 29.5 | 7% | 0.067 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 104.9 | 172.3 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | L183 I194 I218 R221 | L183-V191 HydrophobicContact CD2-CG2 4.07Å; V191-I194 HydrophobicContact CG1-CD1 3.99Å; V191-I194 HydrophobicContact CG1-CG1 3.74Å; V191-I218 HydrophobicContact CB-CD1 4.15Å; V191-R221 WeakPolarHBondContact O-CD 3.26Å; V191-R221 PolarHBondContact O-NH1 3.12Å |
| 192 | R | 97.9 | Very high | 94.3 | Very high | 92 Ų | 92 | 34 Ų | 34 | 35% | 0.347 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -25.2 | -178.2 | -63.2 | -62.8 | -172.9 | 161.7 | -1 | 113.4 | N152 L154 K155 K190 R221 | N152-R192 WeakPolarHBondContact O-CG 3.31Å; N152-R192 PolarHBondContact O-NE 3Å; L154-R192 WeakPolarHBondContact O-CB 3.47Å; L154-R192 PolarHBondContact O-N 3.03Å; K155-R192 HydrophobicContact CG-CB 4.07Å; K190-R192 PolarHBondContact O-N 3.28Å; R192-R221 WeakPolarHBondContact O-CG 3.36Å |
| 193 | G | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 144 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K155 A156 R221 | K155-G193 CarbonylContact C-O 3.44Å; K155-G193 VanDerWaalsContact CA-O 3.26Å; K155-G193 WeakPolarHBondContact CA-O 3.21Å; A156-G193 PolarHBondContact N-O 3.41Å; G193-R221 CarbonylContact C-O 3.3Å; G193-R221 WeakPolarHBondContact CA-O 3.36Å |
| 194 | I | 98.3 | Very high | 94 | Very high | 15 Ų | 15 | 38.4 Ų | 38.4 | 8% | 0.077 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 118.5 | 170.3 | -61.5 | 173.9 | 0 | 0 | 0 | 106.4 | A156 F158 L183 V191 R221 I222 H223 | A156-I194 CarbonylContact O-C 3.55Å; A156-I194 WeakPolarHBondContact O-CA 3.44Å; F158-I194 HydrophobicContact CD2-CG2 3.9Å; F158-I194 HydrophobicContact CE2-CG2 3.96Å; L183-I194 HydrophobicContact CD1-CD1 4.11Å; L183-I194 HydrophobicContact CD2-CD1 4.12Å; V191-I194 HydrophobicContact CG1-CD1 3.99Å; V191-I194 HydrophobicContact CG1-CG1 3.74Å; I194-R221 PolarHBondContact N-O 3.12Å; I194-I222 HydrophobicContact CB-CG1 4.09Å; I194-I222 HydrophobicContact CD1-CG1 4.15Å; I194-I222 CarbonylContact O-C 3.49Å; I194-I222 WeakPolarHBondContact O-CA 3.33Å; I194-H223 PolarHBondContact O-N 3.04Å |
| 195 | H | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 109.8 | -173.2 | -62.2 | -90.2 | 0 | 0 | 0 | 108.7 | A156 I157 F158 H223 H225 L233 F236 F237 | A156-H195 PolarHBondContact O-N 2.94Å; I157-H195 CarbonylContact C-O 3.4Å; I157-H195 WeakPolarHBondContact CA-O 3.49Å; I157-H195 HydrophobicContact CG1-CB 4.21Å; F158-H195 PolarHBondContact N-O 3.46Å; H195-H223 AromaticContact CE1-CD2 3.33Å; H195-H223 PolarHBondContact CE1-CD2 3.24Å; H195-H223 AromaticContact CE1-CG 3.85Å; H195-H223 AromaticContact ND1-CD2 3.73Å; H195-H223 AromaticContact ND1-CG 3.91Å; H195-H223 AromaticContact NE2-CD2 3.86Å; H195-H225 AromaticContact CG-NE2 3.65Å; H195-H225 AromaticContact ND1-CE1 3.71Å; H195-H225 AromaticContact ND1-NE2 2.93Å; H195-H225 PolarHBondContact ND1-NE2 2.62Å; H195-L233 HydrophobicContact CB-CD2 4.15Å; H195-F236 AromaticContact CE1-CD1 3.43Å; H195-F236 VanDerWaalsContact CE1-CD1 3.43Å; H195-F236 WeakPolarHBondContact CE1-CD1 3.42Å; H195-F236 AromaticContact CE1-CD2 3.84Å; H195-F236 AromaticContact CE1-CE1 3.89Å; H195-F236 AromaticContact CE1-CG 3.39Å; H195-F236 WeakPolarHBondContact CE1-CG 3.14Å; H195-F237 AromaticContact CD2-CE2 3.7Å; H195-F237 AromaticContact CD2-CZ 3.53Å; H195-F237 AromaticContact CG-CE2 3.83Å; H195-F237 AromaticContact NE2-CE2 3.86Å; H195-F237 AromaticContact NE2-CZ 3.71Å |
| 196 | L | 98.1 | Very high | 93.9 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 123.7 | 174.3 | -65.3 | 140.2 | 0 | 0 | 0 | 107.7 | F158 M160 E199 F203 I222 H223 M224 H225 | F158-L196 HydrophobicContact CB-CD2 4.05Å; M160-L196 HydrophobicContact CG-CD2 3.89Å; M160-L196 HydrophobicContact SD-CD2 3.76Å; L196-E199 HydrophobicContact CB-CB 4.35Å; L196-E199 HydrophobicContact CB-CG 4.43Å; L196-F203 HydrophobicContact CD1-CE1 4.07Å; L196-F203 HydrophobicContact CD2-CE1 3.7Å; L196-F203 HydrophobicContact CD2-CZ 3.81Å; L196-I222 HydrophobicContact CD1-CG2 3.7Å; L196-H223 PolarHBondContact N-O 2.98Å; L196-M224 HydrophobicContact CB-CG 4.47Å; L196-M224 HydrophobicContact CD1-CG 3.85Å; L196-H225 WeakPolarHBondContact O-CB 3.08Å; L196-H225 PolarHBondContact O-CD2 3.08Å; L196-H225 PolarHBondContact O-N 3.25Å |
| 197 | I | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 153.7 | 175.5 | 70 | 176.3 | 0 | 0 | 0 | 109 | I157 F158 D159 M160 E199 H225 F229 L233 Y246 | I157-I197 HydrophobicContact CG2-CD1 4.08Å; I157-I197 HydrophobicContact CG2-CG1 4.41Å; I157-I197 HydrophobicContact CG2-CG2 4.36Å; F158-I197 PolarHBondContact O-N 3.1Å; D159-I197 HydrophobicContact CB-CD1 3.97Å; D159-I197 HydrophobicContact CB-CG1 3.94Å; M160-I197 VanDerWaalsContact CB-O 3.29Å; M160-I197 WeakPolarHBondContact CB-O 3.48Å; M160-I197 PolarHBondContact N-O 3.24Å; I197-E199 PolarHBondContact O-N 2.88Å; I197-E199 VanDerWaalsContact O-N 3.09Å; I197-H225 HydrophobicContact CG2-CB 4.05Å; I197-F229 HydrophobicContact CB-CB 3.63Å; I197-F229 HydrophobicContact CB-CD1 4.18Å; I197-F229 HydrophobicContact CB-CD2 4.2Å; I197-F229 HydrophobicContact CB-CG 3.74Å; I197-F229 HydrophobicContact CD1-CD2 3.91Å; I197-F229 HydrophobicContact CD1-CE2 4.1Å; I197-F229 HydrophobicContact CD1-CG 4.28Å; I197-F229 HydrophobicContact CG1-CG 4.49Å; I197-F229 HydrophobicContact CG2-CB 3.53Å; I197-F229 HydrophobicContact CG2-CD2 4.29Å; I197-F229 HydrophobicContact CG2-CG 4.03Å; I197-L233 HydrophobicContact CG2-CD1 4.1Å; I197-L233 HydrophobicContact CG2-CD2 4.11Å; I197-L233 HydrophobicContact CG2-CG 4.19Å; I197-Y246 HydrophobicContact CD1-CD1 3.49Å; I197-Y246 VanDerWaalsContact CD1-CD1 3.49Å; I197-Y246 HydrophobicContact CD1-CE1 3.47Å; I197-Y246 VanDerWaalsContact CD1-CE1 3.47Å; I197-Y246 HydrophobicContact CD1-CG 4.41Å |
| 198 | N | 97.1 | Very high | 93.3 | Very high | 42 Ų | 42 | 42.9 Ų | 42.9 | 23% | 0.225 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 55 | 24.6 | -177.6 | -62 | -46.9 | 0 | 0 | 0 | 113.7 | D159 Q161 P200 G226 F229 | D159-N198 PolarHBondContact OD1-ND2 3.31Å; Q161-N198 HydrophobicContact CB-CB 3.96Å; N198-P200 WeakPolarHBondContact O-CD 3.5Å; N198-G226 PolarHBondContact N-O 3.26Å; N198-F229 WeakPolarHBondContact OD1-CD1 3.17Å; N198-F229 WeakPolarHBondContact OD1-CE1 3.47Å |
| 199 | E | 95.1 | Very high | 93 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 15% | 0.154 | 23% | 0.227 | C | C | . | . | trans | -73 | 121.1 | -175.1 | 76 | -65.2 | 168.3 | 0 | 0 | 111.5 | M160 L196 I197 F203 M224 G226 | M160-E199 HydrophobicContact CB-CB 3.97Å; M160-E199 HydrophobicContact CG-CB 3.81Å; L196-E199 HydrophobicContact CB-CB 4.35Å; L196-E199 HydrophobicContact CB-CG 4.43Å; I197-E199 PolarHBondContact O-N 2.88Å; I197-E199 VanDerWaalsContact O-N 3.09Å; E199-F203 HydrophobicContact CB-CD1 4.36Å; E199-M224 HydrophobicContact CG-CE 3.52Å; E199-M224 WeakPolarHBondContact OE1-CB 3.25Å; E199-G226 VanDerWaalsContact CD-N 3.32Å; E199-G226 WeakPolarHBondContact OE1-CA 3.37Å; E199-G226 PolarHBondContact OE1-N 3.41Å; E199-G226 WeakPolarHBondContact OE2-CA 3.46Å; E199-G226 PolarHBondContact OE2-N 3.12Å | ||
| 200 | P | 91.5 | Very high | 92.7 | Very high | 31 Ų | 31 | 46 Ų | 46 | 20% | 0.201 | 23% | 0.23 | C | C | . | . | trans | -73.9 | 155.9 | -179.3 | 29.6 | -34.1 | 0 | 0 | 0 | 110.7 | W163 N198 F202 F203 | W163-P200 HydrophobicContact CB-CG 4.03Å; W163-P200 HydrophobicContact CG-CG 4.1Å; N198-P200 WeakPolarHBondContact O-CD 3.5Å; P200-F202 HydrophobicContact CB-CD1 3.71Å; P200-F202 HydrophobicContact CB-CD2 4.42Å; P200-F202 HydrophobicContact CB-CE1 3.36Å; P200-F202 HydrophobicContact CB-CE2 4.14Å; P200-F202 HydrophobicContact CB-CG 4.22Å; P200-F202 HydrophobicContact CB-CZ 3.59Å; P200-F202 HydrophobicContact CG-CD1 4.28Å; P200-F202 HydrophobicContact CG-CD2 4.1Å; P200-F202 HydrophobicContact CG-CE1 3.9Å; P200-F202 HydrophobicContact CG-CE2 3.71Å; P200-F202 HydrophobicContact CG-CG 4.36Å; P200-F202 HydrophobicContact CG-CZ 3.58Å; P200-F202 PolarHBondContact O-N 3.02Å; P200-F203 HydrophobicContact CG-CB 4.32Å; P200-F203 VanDerWaalsContact O-CB 3.26Å; P200-F203 WeakPolarHBondContact O-CB 3.42Å; P200-F203 PolarHBondContact O-N 3.2Å | ||
| 201 | I | 83.6 | Confident | 92.5 | Very high | 136 Ų | 136 | 51.9 Ų | 51.9 | 70% | 0.697 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -53.4 | -35.3 | 178.3 | -62.5 | 173.9 | 0 | 0 | 0 | 111.6 | F203 R204 | I201-F203 PolarHBondContact O-N 3.42Å; I201-R204 WeakPolarHBondContact O-CB 3.42Å; I201-R204 VanDerWaalsContact O-CG 3.26Å; I201-R204 WeakPolarHBondContact O-CG 3.32Å; I201-R204 PolarHBondContact O-N 2.82Å |
| 202 | F | 82.9 | Confident | 92.3 | Very high | 116 Ų | 116 | 56 Ų | 56 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -78.3 | 5.6 | 179.2 | 61.9 | -96.4 | 0 | 0 | 0 | 114.8 | W163 P200 R204 P205 | W163-F202 AromaticContact CD1-CD2 3.76Å; W163-F202 AromaticContact CD1-CE2 3.36Å; W163-F202 HydrophobicContact CG-CE2 4.45Å; W163-F202 AromaticContact NE1-CD2 3.91Å; W163-F202 AromaticContact NE1-CE2 3.91Å; W163-F202 WeakPolarHBondContact O-CE2 3.25Å; W163-F202 WeakPolarHBondContact O-CZ 3.49Å; P200-F202 HydrophobicContact CB-CD1 3.71Å; P200-F202 HydrophobicContact CB-CD2 4.42Å; P200-F202 HydrophobicContact CB-CE1 3.36Å; P200-F202 HydrophobicContact CB-CE2 4.14Å; P200-F202 HydrophobicContact CB-CG 4.22Å; P200-F202 HydrophobicContact CB-CZ 3.59Å; P200-F202 HydrophobicContact CG-CD1 4.28Å; P200-F202 HydrophobicContact CG-CD2 4.1Å; P200-F202 HydrophobicContact CG-CE1 3.9Å; P200-F202 HydrophobicContact CG-CE2 3.71Å; P200-F202 HydrophobicContact CG-CG 4.36Å; P200-F202 HydrophobicContact CG-CZ 3.58Å; P200-F202 PolarHBondContact O-N 3.02Å; F202-R204 VanDerWaalsContact C-N 3.34Å; F202-P205 WeakPolarHBondContact O-CD 3.48Å |
| 203 | F | 88.3 | Confident | 92.1 | Very high | 14 Ų | 14 | 55.7 Ų | 55.7 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -76.2 | -23.3 | 164.3 | 176.3 | -111.2 | 0 | 0 | 0 | 112.3 | M160 W163 L196 E199 P200 I201 P205 V206 F207 M224 | M160-F203 HydrophobicContact CE-CD2 3.35Å; M160-F203 HydrophobicContact CE-CE2 3.44Å; M160-F203 VanDerWaalsContact CE-CE2 3.44Å; M160-F203 HydrophobicContact CE-CG 3.94Å; M160-F203 HydrophobicContact CE-CZ 4.09Å; W163-F203 HydrophobicContact CD2-CD2 4.27Å; W163-F203 AromaticContact CE2-CD2 3.95Å; W163-F203 HydrophobicContact CZ2-CD2 4.1Å; L196-F203 HydrophobicContact CD1-CE1 4.07Å; L196-F203 HydrophobicContact CD2-CE1 3.7Å; L196-F203 HydrophobicContact CD2-CZ 3.81Å; E199-F203 HydrophobicContact CB-CD1 4.36Å; P200-F203 HydrophobicContact CG-CB 4.32Å; P200-F203 VanDerWaalsContact O-CB 3.26Å; P200-F203 WeakPolarHBondContact O-CB 3.42Å; P200-F203 PolarHBondContact O-N 3.2Å; I201-F203 PolarHBondContact O-N 3.42Å; F203-P205 VanDerWaalsContact C-CD 3.41Å; F203-V206 HydrophobicContact CD2-CB 4.27Å; F203-V206 HydrophobicContact CE2-CB 4.2Å; F203-V206 HydrophobicContact CE2-CG1 3.98Å; F203-V206 PolarHBondContact O-N 3.13Å; F203-F207 HydrophobicContact CD1-CB 4.39Å; F203-F207 HydrophobicContact CE1-CB 3.98Å; F203-F207 HydrophobicContact CZ-CB 4.45Å; F203-F207 PolarHBondContact O-N 2.97Å; F203-M224 HydrophobicContact CD1-CE 4.04Å; F203-M224 HydrophobicContact CE1-CE 4.41Å |
| 204 | R | 85.4 | Confident | 91.9 | Very high | 164 Ų | 164 | 56 Ų | 56 | 62% | 0.619 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -51.2 | -40.3 | -177 | -70.7 | 177.6 | 177.7 | -166.5 | 0.2 | 114.9 | I201 F202 V206 F207 A208 | I201-R204 WeakPolarHBondContact O-CB 3.42Å; I201-R204 VanDerWaalsContact O-CG 3.26Å; I201-R204 WeakPolarHBondContact O-CG 3.32Å; I201-R204 PolarHBondContact O-N 2.82Å; F202-R204 VanDerWaalsContact C-N 3.34Å; R204-V206 PolarHBondContact O-N 3.01Å; R204-F207 PolarHBondContact O-N 3.41Å; R204-A208 WeakPolarHBondContact O-CB 3.35Å; R204-A208 PolarHBondContact O-N 3.43Å |
| 205 | P | 87.9 | Confident | 91.6 | Very high | 87 Ų | 87 | 58 Ų | 58 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.9 | -40 | 177.4 | -24.5 | 35.9 | 0 | 0 | 0 | 113.5 | F202 F203 A208 M209 | F202-P205 WeakPolarHBondContact O-CD 3.48Å; F203-P205 VanDerWaalsContact C-CD 3.41Å; P205-A208 PolarHBondContact O-N 2.82Å; P205-M209 PolarHBondContact O-N 3.04Å |
| 206 | V | 89.1 | Confident | 91.5 | Very high | 10 Ų | 10 | 63 Ų | 63 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 176.1 | 171 | 0 | 0 | 0 | 0 | 110.3 | W163 A168 I171 F203 R204 A208 M209 L210 | W163-V206 HydrophobicContact CH2-CG2 4.29Å; W163-V206 HydrophobicContact CZ2-CB 4.45Å; W163-V206 HydrophobicContact CZ2-CG2 3.79Å; A168-V206 HydrophobicContact CB-CG2 4.02Å; I171-V206 HydrophobicContact CD1-CG1 3.56Å; I171-V206 HydrophobicContact CD1-CG2 4.45Å; I171-V206 HydrophobicContact CG2-CG1 4.34Å; F203-V206 HydrophobicContact CD2-CB 4.27Å; F203-V206 HydrophobicContact CE2-CB 4.2Å; F203-V206 HydrophobicContact CE2-CG1 3.98Å; F203-V206 PolarHBondContact O-N 3.13Å; R204-V206 PolarHBondContact O-N 3.01Å; V206-A208 VanDerWaalsContact C-N 3.31Å; V206-A208 PolarHBondContact O-N 3.42Å; V206-M209 WeakPolarHBondContact O-CB 3.39Å; V206-M209 PolarHBondContact O-N 3.37Å; V206-M209 VanDerWaalsContact O-N 3.1Å; V206-L210 HydrophobicContact CG1-CD1 4.34Å; V206-L210 PolarHBondContact O-N 3.28Å; V206-L210 VanDerWaalsContact O-N 3.14Å |
| 207 | F | 89.6 | Confident | 91.3 | Very high | 38 Ų | 38 | 68.7 Ų | 68.7 | 17% | 0.167 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.5 | -40 | 175.1 | -176.9 | -112.6 | 0 | 0 | 0 | 112.3 | F203 R204 M209 L210 R211 I222 | F203-F207 HydrophobicContact CD1-CB 4.39Å; F203-F207 HydrophobicContact CE1-CB 3.98Å; F203-F207 HydrophobicContact CZ-CB 4.45Å; F203-F207 PolarHBondContact O-N 2.97Å; R204-F207 PolarHBondContact O-N 3.41Å; F207-M209 PolarHBondContact O-N 2.86Å; F207-L210 PolarHBondContact O-N 3.37Å; F207-L210 VanDerWaalsContact O-N 3.16Å; F207-R211 WeakPolarHBondContact O-CB 3.3Å; F207-R211 PolarHBondContact O-N 2.73Å; F207-I222 HydrophobicContact CE2-CD1 3.79Å; F207-I222 HydrophobicContact CE2-CG2 4.03Å; F207-I222 HydrophobicContact CZ-CD1 4.36Å; F207-I222 HydrophobicContact CZ-CG2 4.35Å |
| 208 | A | 90.9 | Very high | 91.1 | Very high | 60 Ų | 60 | 69.1 Ų | 69.1 | 50% | 0.496 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.7 | -28.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R204 P205 V206 P212 | R204-A208 WeakPolarHBondContact O-CB 3.35Å; R204-A208 PolarHBondContact O-N 3.43Å; P205-A208 PolarHBondContact O-N 2.82Å; V206-A208 VanDerWaalsContact C-N 3.31Å; V206-A208 PolarHBondContact O-N 3.42Å; A208-P212 WeakPolarHBondContact O-CD 3.41Å |
| 209 | M | 91.4 | Very high | 91 | Very high | 60 Ų | 60 | 70 Ų | 70 | 30% | 0.296 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -73 | -36.7 | 172.9 | -169.9 | -172.9 | -64.7 | 0 | 0 | 112.5 | I171 P173 A176 P205 V206 F207 F213 | I171-M209 HydrophobicContact CG2-SD 4.23Å; P173-M209 HydrophobicContact CB-SD 4.45Å; P173-M209 HydrophobicContact CG-CE 4.39Å; P173-M209 HydrophobicContact CG-CG 4.49Å; P173-M209 HydrophobicContact CG-SD 4.02Å; A176-M209 HydrophobicContact CB-CG 3.91Å; A176-M209 HydrophobicContact CB-SD 3.98Å; P205-M209 PolarHBondContact O-N 3.04Å; V206-M209 WeakPolarHBondContact O-CB 3.39Å; V206-M209 PolarHBondContact O-N 3.37Å; V206-M209 VanDerWaalsContact O-N 3.1Å; F207-M209 PolarHBondContact O-N 2.86Å; M209-F213 WeakPolarHBondContact O-CD2 3.48Å; M209-F213 WeakPolarHBondContact O-CE2 3.42Å |
| 210 | L | 90.6 | Very high | 91.1 | Very high | 27 Ų | 27 | 75.7 Ų | 75.7 | 14% | 0.141 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -76 | -41.3 | 178.6 | -69.8 | 165.1 | 0 | 0 | 0 | 112.4 | A176 I179 V206 F207 P212 F213 | A176-L210 HydrophobicContact CB-CD2 3.72Å; A176-L210 HydrophobicContact CB-CG 4.37Å; A176-L210 WeakPolarHBondContact O-CD2 3.49Å; I179-L210 HydrophobicContact CB-CD2 4.24Å; I179-L210 HydrophobicContact CD1-CD2 4.23Å; I179-L210 HydrophobicContact CG2-CD2 4.3Å; V206-L210 HydrophobicContact CG1-CD1 4.34Å; V206-L210 PolarHBondContact O-N 3.28Å; V206-L210 VanDerWaalsContact O-N 3.14Å; F207-L210 PolarHBondContact O-N 3.37Å; F207-L210 VanDerWaalsContact O-N 3.16Å; L210-P212 VanDerWaalsContact O-N 3.15Å; L210-F213 PolarHBondContact O-N 3.39Å |
| 211 | R | 92.2 | Very high | 91.4 | Very high | 143 Ų | 143 | 76.5 Ų | 76.5 | 54% | 0.54 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -50.7 | -39.7 | -170 | -174.1 | 178 | -180 | -179.7 | 1.1 | 115.3 | F207 F213 L214 K219 | F207-R211 WeakPolarHBondContact O-CB 3.3Å; F207-R211 PolarHBondContact O-N 2.73Å; R211-F213 PolarHBondContact O-N 2.9Å; R211-L214 PolarHBondContact O-N 3.01Å; R211-K219 HydrophobicContact CG-CD 4.23Å; R211-K219 WeakPolarHBondContact O-CE 3.34Å |
| 212 | P | 94.1 | Very high | 92 | Very high | 97 Ų | 97 | 71.3 Ų | 71.3 | 63% | 0.63 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -63 | -27 | 179 | -24.8 | 35.8 | 0 | 0 | 0 | 114.1 | A208 L210 | A208-P212 WeakPolarHBondContact O-CD 3.41Å; L210-P212 VanDerWaalsContact O-N 3.15Å |
| 213 | F | 93.1 | Very high | 92.6 | Very high | 86 Ų | 86 | 68.1 Ų | 68.1 | 38% | 0.377 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -90.4 | -6.3 | -178.3 | -53.7 | -64.6 | 0 | 0 | 0 | 113.2 | A176 K177 S180 M209 L210 R211 | A176-F213 HydrophobicContact CB-CD2 4.47Å; A176-F213 HydrophobicContact CB-CE2 4.31Å; K177-F213 HydrophobicContact CB-CD1 4.36Å; K177-F213 HydrophobicContact CB-CD2 4.44Å; K177-F213 HydrophobicContact CB-CE1 4.3Å; K177-F213 HydrophobicContact CB-CE2 4.38Å; K177-F213 HydrophobicContact CB-CG 4.43Å; K177-F213 HydrophobicContact CB-CZ 4.31Å; K177-F213 HydrophobicContact CG-CD1 4.19Å; K177-F213 HydrophobicContact CG-CE1 4.32Å; S180-F213 VanDerWaalsContact CB-CB 3.45Å; S180-F213 WeakPolarHBondContact OG-CB 3.49Å; M209-F213 WeakPolarHBondContact O-CD2 3.48Å; M209-F213 WeakPolarHBondContact O-CE2 3.42Å; L210-F213 PolarHBondContact O-N 3.39Å; R211-F213 PolarHBondContact O-N 2.9Å |
| 214 | L | 93.4 | Very high | 93 | Very high | 8 Ų | 8 | 71.3 Ų | 71.3 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -93.9 | 131.6 | -178.1 | -61.5 | 175.6 | 0 | 0 | 0 | 111 | L183 T184 R211 I218 K219 I222 | L183-L214 HydrophobicContact CD1-CD2 4.13Å; T184-L214 HydrophobicContact CG2-CD2 4.48Å; R211-L214 PolarHBondContact O-N 3.01Å; L214-I218 HydrophobicContact CD1-CG2 4.47Å; L214-I218 HydrophobicContact CD2-CG2 4.02Å; L214-K219 HydrophobicContact CB-CG 3.88Å; L214-K219 WeakPolarHBondContact O-CE 3.45Å; L214-K219 PolarHBondContact O-NZ 3.26Å; L214-I222 HydrophobicContact CD1-CD1 3.68Å |
| 215 | P | 93.4 | Very high | 93.5 | Very high | 57 Ų | 57 | 64.3 Ų | 64.3 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | trans | -68.4 | 154.9 | 170.1 | 30.8 | -34.9 | 0 | 0 | 0 | 110 | T184 K217 I218 K219 | T184-P215 HydrophobicContact CG2-CG 3.58Å; P215-K217 PolarHBondContact O-N 3.26Å; P215-K217 VanDerWaalsContact O-N 3.15Å; P215-I218 HydrophobicContact CG-CB 4.2Å; P215-I218 HydrophobicContact CG-CG1 3.89Å; P215-I218 PolarHBondContact O-N 2.96Å; P215-K219 PolarHBondContact O-N 2.8Å | ||
| 216 | D | 95.2 | Very high | 93.9 | Very high | 103 Ų | 103 | 61 Ų | 61 | 55% | 0.551 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.3 | -33.6 | -174.3 | -63.3 | -28.6 | 0 | 0 | 0 | 113 | I218 K219 Q220 | D216-I218 VanDerWaalsContact C-N 3.28Å; D216-I218 PolarHBondContact O-N 3.45Å; D216-K219 PolarHBondContact O-N 3.29Å; D216-K219 IonicContact OD1-NZ 3.92Å; D216-K219 PolarHBondContact OD1-NZ 2.91Å; D216-Q220 WeakPolarHBondContact O-CB 3.34Å; D216-Q220 VanDerWaalsContact O-CG 3.28Å; D216-Q220 WeakPolarHBondContact O-CG 3.46Å; D216-Q220 PolarHBondContact O-N 2.69Å |
| 217 | K | 93.6 | Very high | 94.1 | Very high | 130 Ų | 130 | 65.4 Ų | 65.4 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -56.1 | -38.7 | 172.8 | -176.2 | 175 | -178.8 | 175.1 | 0 | 113 | P215 R221 | P215-K217 PolarHBondContact O-N 3.26Å; P215-K217 VanDerWaalsContact O-N 3.15Å; K217-R221 WeakPolarHBondContact O-CD 3.35Å; K217-R221 VanDerWaalsContact O-CG 3.29Å; K217-R221 WeakPolarHBondContact O-CG 3.28Å |
| 218 | I | 94.9 | Very high | 94.3 | Very high | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.051 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -80.2 | -40.7 | 176.5 | -65.3 | -58.5 | 0 | 0 | 0 | 110.5 | T184 V191 L214 P215 D216 Q220 R221 I222 | T184-I218 HydrophobicContact CG2-CG1 3.93Å; V191-I218 HydrophobicContact CB-CD1 4.15Å; L214-I218 HydrophobicContact CD1-CG2 4.47Å; L214-I218 HydrophobicContact CD2-CG2 4.02Å; P215-I218 HydrophobicContact CG-CB 4.2Å; P215-I218 HydrophobicContact CG-CG1 3.89Å; P215-I218 PolarHBondContact O-N 2.96Å; D216-I218 VanDerWaalsContact C-N 3.28Å; D216-I218 PolarHBondContact O-N 3.45Å; I218-Q220 PolarHBondContact O-N 3.35Å; I218-R221 WeakPolarHBondContact O-CA 3.47Å; I218-R221 WeakPolarHBondContact O-CB 3.44Å; I218-R221 PolarHBondContact O-N 2.97Å; I218-I222 HydrophobicContact CG2-CD1 4.37Å; I218-I222 WeakPolarHBondContact O-CG1 3.44Å; I218-I222 PolarHBondContact O-N 2.65Å |
| 219 | K | 95.4 | Very high | 94.6 | Very high | 59 Ų | 59 | 65.2 Ų | 65.2 | 26% | 0.257 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54.7 | -39.9 | 176.2 | -62.8 | -178.1 | -174.8 | 114 | 0 | 112.3 | R211 L214 P215 D216 R221 I222 | R211-K219 HydrophobicContact CG-CD 4.23Å; R211-K219 WeakPolarHBondContact O-CE 3.34Å; L214-K219 HydrophobicContact CB-CG 3.88Å; L214-K219 WeakPolarHBondContact O-CE 3.45Å; L214-K219 PolarHBondContact O-NZ 3.26Å; P215-K219 PolarHBondContact O-N 2.8Å; D216-K219 PolarHBondContact O-N 3.29Å; D216-K219 IonicContact OD1-NZ 3.92Å; D216-K219 PolarHBondContact OD1-NZ 2.91Å; K219-R221 VanDerWaalsContact C-N 3.25Å; K219-R221 PolarHBondContact O-N 2.86Å; K219-I222 PolarHBondContact O-N 3.17Å |
| 220 | Q | 96.6 | Very high | 94.7 | Very high | 153 Ų | 153 | 67.2 Ų | 67.2 | 72% | 0.715 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -17.7 | 177.5 | -70.7 | 169.8 | 10.5 | 0 | 0 | 114 | D216 I218 | D216-Q220 WeakPolarHBondContact O-CB 3.34Å; D216-Q220 VanDerWaalsContact O-CG 3.28Å; D216-Q220 WeakPolarHBondContact O-CG 3.46Å; D216-Q220 PolarHBondContact O-N 2.69Å; I218-Q220 PolarHBondContact O-N 3.35Å |
| 221 | R | 96.9 | Very high | 94.8 | Very high | 49 Ų | 49 | 72.7 Ų | 72.7 | 19% | 0.185 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 2.2 | 178.1 | -69.8 | 173.4 | 175.9 | -177.7 | -5.8 | 112.8 | V191 R192 G193 I194 K217 I218 K219 H223 | V191-R221 WeakPolarHBondContact O-CD 3.26Å; V191-R221 PolarHBondContact O-NH1 3.12Å; R192-R221 WeakPolarHBondContact O-CG 3.36Å; G193-R221 CarbonylContact C-O 3.3Å; G193-R221 WeakPolarHBondContact CA-O 3.36Å; I194-R221 PolarHBondContact N-O 3.12Å; K217-R221 WeakPolarHBondContact O-CD 3.35Å; K217-R221 VanDerWaalsContact O-CG 3.29Å; K217-R221 WeakPolarHBondContact O-CG 3.28Å; I218-R221 WeakPolarHBondContact O-CA 3.47Å; I218-R221 WeakPolarHBondContact O-CB 3.44Å; I218-R221 PolarHBondContact O-N 2.97Å; K219-R221 VanDerWaalsContact C-N 3.25Å; K219-R221 PolarHBondContact O-N 2.86Å; R221-H223 PolarHBondContact O-CD2 2.97Å; R221-H223 PolarHBondContact O-NE2 3.11Å |
| 222 | I | 96.7 | Very high | 95 | Very high | 27 Ų | 27 | 67.8 Ų | 67.8 | 14% | 0.138 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 120 | 177.2 | -62.8 | 172.6 | 0 | 0 | 0 | 108.1 | I194 L196 F207 L214 I218 K219 | I194-I222 HydrophobicContact CB-CG1 4.09Å; I194-I222 HydrophobicContact CD1-CG1 4.15Å; I194-I222 CarbonylContact O-C 3.49Å; I194-I222 WeakPolarHBondContact O-CA 3.33Å; L196-I222 HydrophobicContact CD1-CG2 3.7Å; F207-I222 HydrophobicContact CE2-CD1 3.79Å; F207-I222 HydrophobicContact CE2-CG2 4.03Å; F207-I222 HydrophobicContact CZ-CD1 4.36Å; F207-I222 HydrophobicContact CZ-CG2 4.35Å; L214-I222 HydrophobicContact CD1-CD1 3.68Å; I218-I222 HydrophobicContact CG2-CD1 4.37Å; I218-I222 WeakPolarHBondContact O-CG1 3.44Å; I218-I222 PolarHBondContact O-N 2.65Å; K219-I222 PolarHBondContact O-N 3.17Å |
| 223 | H | 96.7 | Very high | 95.2 | Very high | 49 Ų | 49 | 63.1 Ų | 63.1 | 23% | 0.227 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 125.1 | -178.7 | -54.5 | -82.2 | 0 | 0 | 0 | 108.5 | I194 H195 L196 R221 H225 F236 | I194-H223 PolarHBondContact O-N 3.04Å; H195-H223 AromaticContact CE1-CD2 3.33Å; H195-H223 PolarHBondContact CE1-CD2 3.24Å; H195-H223 AromaticContact CE1-CG 3.85Å; H195-H223 AromaticContact ND1-CD2 3.73Å; H195-H223 AromaticContact ND1-CG 3.91Å; H195-H223 AromaticContact NE2-CD2 3.86Å; L196-H223 PolarHBondContact N-O 2.98Å; R221-H223 PolarHBondContact O-CD2 2.97Å; R221-H223 PolarHBondContact O-NE2 3.11Å; H223-H225 WeakPolarHBondContact CB-NE2 3.46Å; H223-F236 AromaticContact CE1-CE1 3.55Å; H223-F236 AromaticContact CE1-CZ 3.62Å; H223-F236 AromaticContact ND1-CE1 3.91Å; H223-F236 AromaticContact ND1-CZ 3.52Å; H223-F236 AromaticContact NE2-CE1 3.71Å |
| 224 | M | 95.6 | Very high | 95.1 | Very high | 80 Ų | 80 | 64.8 Ų | 64.8 | 39% | 0.394 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 109.5 | 175.5 | -63.5 | -177.3 | 82.3 | 0 | 0 | 107.2 | L196 E199 F203 | L196-M224 HydrophobicContact CB-CG 4.47Å; L196-M224 HydrophobicContact CD1-CG 3.85Å; E199-M224 HydrophobicContact CG-CE 3.52Å; E199-M224 WeakPolarHBondContact OE1-CB 3.25Å; F203-M224 HydrophobicContact CD1-CE 4.04Å; F203-M224 HydrophobicContact CE1-CE 4.41Å |
| 225 | H | 96.8 | Very high | 95.2 | Very high | 17 Ų | 17 | 70.6 Ų | 70.6 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | trans | -95.9 | -18.1 | -169.1 | -66.8 | -91.1 | 0 | 0 | 0 | 112.9 | H195 L196 I197 H223 F229 T232 F236 | H195-H225 AromaticContact CG-NE2 3.65Å; H195-H225 AromaticContact ND1-CE1 3.71Å; H195-H225 AromaticContact ND1-NE2 2.93Å; H195-H225 PolarHBondContact ND1-NE2 2.62Å; L196-H225 WeakPolarHBondContact O-CB 3.08Å; L196-H225 PolarHBondContact O-CD2 3.08Å; L196-H225 PolarHBondContact O-N 3.25Å; I197-H225 HydrophobicContact CG2-CB 4.05Å; H223-H225 WeakPolarHBondContact CB-NE2 3.46Å; H225-F229 HydrophobicContact CB-CB 3.69Å; H225-T232 WeakPolarHBondContact ND1-CB 3.37Å; H225-T232 PolarHBondContact ND1-OG1 3.29Å; H225-F236 AromaticContact CE1-CD2 3.96Å; H225-F236 AromaticContact CE1-CE2 3.84Å | ||
| 226 | G | 95.3 | Very high | 95.3 | Very high | 18 Ų | 18 | 70.6 Ų | 70.6 | 19% | 0.186 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | 63 | -146.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N198 E199 | N198-G226 PolarHBondContact N-O 3.26Å; E199-G226 VanDerWaalsContact CD-N 3.32Å; E199-G226 WeakPolarHBondContact OE1-CA 3.37Å; E199-G226 PolarHBondContact OE1-N 3.41Å; E199-G226 WeakPolarHBondContact OE2-CA 3.46Å; E199-G226 PolarHBondContact OE2-N 3.12Å |
| 227 | S | 93.6 | Very high | 95.4 | Very high | 103 Ų | 103 | 65.8 Ų | 65.8 | 72% | 0.72 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -83.8 | -16.4 | -179.4 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | F229 | S227-F229 PolarHBondContact O-N 2.86Š|
| 228 | T | 93.9 | Very high | 95.5 | Very high | 78 Ų | 78 | 60.9 Ų | 60.9 | 48% | 0.479 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -90 | 25.5 | 176.2 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | K230 E231 T232 | T228-K230 PolarHBondContact O-N 2.91Å; T228-E231 PolarHBondContact O-N 3.17Å; T228-T232 PolarHBondContact O-OG1 3Å |
| 229 | F | 96.8 | Very high | 95.5 | Very high | 16 Ų | 16 | 64.9 Ų | 64.9 | 7% | 0.07 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.4 | -29.5 | -173.2 | 66.5 | -93 | 0 | 0 | 0 | 114.1 | I197 N198 H225 S227 E231 T232 L233 Y246 | I197-F229 HydrophobicContact CB-CB 3.63Å; I197-F229 HydrophobicContact CB-CD1 4.18Å; I197-F229 HydrophobicContact CB-CD2 4.2Å; I197-F229 HydrophobicContact CB-CG 3.74Å; I197-F229 HydrophobicContact CD1-CD2 3.91Å; I197-F229 HydrophobicContact CD1-CE2 4.1Å; I197-F229 HydrophobicContact CD1-CG 4.28Å; I197-F229 HydrophobicContact CG1-CG 4.49Å; I197-F229 HydrophobicContact CG2-CB 3.53Å; I197-F229 HydrophobicContact CG2-CD2 4.29Å; I197-F229 HydrophobicContact CG2-CG 4.03Å; N198-F229 WeakPolarHBondContact OD1-CD1 3.17Å; N198-F229 WeakPolarHBondContact OD1-CE1 3.47Å; H225-F229 HydrophobicContact CB-CB 3.69Å; S227-F229 PolarHBondContact O-N 2.86Å; F229-E231 VanDerWaalsContact C-N 3.26Å; F229-E231 PolarHBondContact O-N 3.47Å; F229-T232 WeakPolarHBondContact CA-OG1 3.06Å; F229-T232 PolarHBondContact O-N 2.93Å; F229-T232 PolarHBondContact O-OG1 2.79Å; F229-L233 HydrophobicContact CD2-CD1 3.97Å; F229-L233 VanDerWaalsContact O-CB 3.25Å; F229-L233 WeakPolarHBondContact O-CB 3.28Å; F229-L233 VanDerWaalsContact O-CG 3.28Å; F229-L233 WeakPolarHBondContact O-CG 3.28Å; F229-L233 PolarHBondContact O-N 3.12Å; F229-Y246 AromaticContact CE2-CD1 3.97Å; F229-Y246 HydrophobicContact CE2-CD1 3.97Å |
| 230 | K | 94.8 | Very high | 95.5 | Very high | 101 Ų | 101 | 66.6 Ų | 66.6 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.9 | -34.4 | -179.8 | -66.8 | -168.9 | 176.7 | -169 | 0 | 112.8 | T228 R234 E245 | T228-K230 PolarHBondContact O-N 2.91Å; K230-R234 WeakPolarHBondContact O-CD 3.31Å; K230-R234 WeakPolarHBondContact O-CG 3.48Å; K230-R234 PolarHBondContact O-NE 2.93Å; K230-E245 WeakPolarHBondContact CE-O 3.43Å |
| 231 | E | 93.1 | Very high | 95.5 | Very high | 142 Ų | 142 | 59.7 Ų | 59.7 | 66% | 0.664 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -76.2 | -45.2 | 177.6 | -66.7 | 169.3 | -173.7 | 0 | 0 | 110.5 | T228 F229 | T228-E231 PolarHBondContact O-N 3.17Å; F229-E231 VanDerWaalsContact C-N 3.26Å; F229-E231 PolarHBondContact O-N 3.47Å |
| 232 | T | 96 | Very high | 95.6 | Very high | 40 Ų | 40 | 57.4 Ų | 57.4 | 25% | 0.245 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -83.1 | -21.8 | -172.3 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | H225 T228 F229 R234 F236 | H225-T232 WeakPolarHBondContact ND1-CB 3.37Å; H225-T232 PolarHBondContact ND1-OG1 3.29Å; T228-T232 PolarHBondContact O-OG1 3Å; F229-T232 WeakPolarHBondContact CA-OG1 3.06Å; F229-T232 PolarHBondContact O-N 2.93Å; F229-T232 PolarHBondContact O-OG1 2.79Å; T232-R234 VanDerWaalsContact C-N 3.27Å; T232-R234 PolarHBondContact O-N 3.46Å; T232-F236 VanDerWaalsContact O-CD2 3.3Å; T232-F236 WeakPolarHBondContact O-CD2 3.24Å |
| 233 | L | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -67.4 | -29.2 | 172.5 | -80.6 | -178.3 | 0 | 0 | 0 | 112.1 | H195 I197 F229 D235 F236 F237 L242 | H195-L233 HydrophobicContact CB-CD2 4.15Å; I197-L233 HydrophobicContact CG2-CD1 4.1Å; I197-L233 HydrophobicContact CG2-CD2 4.11Å; I197-L233 HydrophobicContact CG2-CG 4.19Å; F229-L233 HydrophobicContact CD2-CD1 3.97Å; F229-L233 VanDerWaalsContact O-CB 3.25Å; F229-L233 WeakPolarHBondContact O-CB 3.28Å; F229-L233 VanDerWaalsContact O-CG 3.28Å; F229-L233 WeakPolarHBondContact O-CG 3.28Å; F229-L233 PolarHBondContact O-N 3.12Å; L233-D235 PolarHBondContact O-N 3.07Å; L233-F236 PolarHBondContact O-N 3.24Å; L233-F237 HydrophobicContact CD2-CD2 3.98Å; L233-F237 HydrophobicContact CD2-CE2 3.87Å; L233-F237 PolarHBondContact O-N 3.49Å; L233-L242 HydrophobicContact CB-CD1 4.17Å; L233-L242 HydrophobicContact CD1-CD1 4.48Å |
| 234 | R | 92.8 | Very high | 95.5 | Very high | 120 Ų | 120 | 59.9 Ų | 59.9 | 45% | 0.453 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -63.6 | -23.8 | -179.9 | -67.4 | 170 | 176 | -139.5 | -16.4 | 112.8 | K230 T232 F236 E239 G247 | K230-R234 WeakPolarHBondContact O-CD 3.31Å; K230-R234 WeakPolarHBondContact O-CG 3.48Å; K230-R234 PolarHBondContact O-NE 2.93Å; T232-R234 VanDerWaalsContact C-N 3.27Å; T232-R234 PolarHBondContact O-N 3.46Å; R234-F236 PolarHBondContact O-N 3.38Å; R234-E239 IonicContact CZ-OE1 3.72Å; R234-E239 IonicContact CZ-OE2 2.83Å; R234-E239 IonicContact NH1-OE2 3.82Å; R234-E239 IonicContact NH2-OE1 2.84Å; R234-E239 PolarHBondContact NH2-OE1 3.35Å; R234-E239 IonicContact NH2-OE2 2.77Å; R234-G247 PolarHBondContact NH2-O 2.93Å |
| 235 | D | 93.8 | Very high | 95.6 | Very high | 130 Ų | 130 | 59.9 Ų | 59.9 | 70% | 0.695 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -69 | -17.2 | 173.8 | -62.2 | -29.1 | 0 | 0 | 0 | 112.7 | L233 | L233-D235 PolarHBondContact O-N 3.07Š|
| 236 | F | 96.8 | Very high | 95.6 | Very high | 58 Ų | 58 | 59.3 Ų | 59.3 | 25% | 0.254 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -25.2 | -173.4 | -62.4 | -86.8 | 0 | 0 | 0 | 114.2 | K155 H195 H223 H225 T232 L233 R234 | K155-F236 PolarHBondContact NZ-O 3Å; H195-F236 AromaticContact CE1-CD1 3.43Å; H195-F236 VanDerWaalsContact CE1-CD1 3.43Å; H195-F236 WeakPolarHBondContact CE1-CD1 3.42Å; H195-F236 AromaticContact CE1-CD2 3.84Å; H195-F236 AromaticContact CE1-CE1 3.89Å; H195-F236 AromaticContact CE1-CG 3.39Å; H195-F236 WeakPolarHBondContact CE1-CG 3.14Å; H223-F236 AromaticContact CE1-CE1 3.55Å; H223-F236 AromaticContact CE1-CZ 3.62Å; H223-F236 AromaticContact ND1-CE1 3.91Å; H223-F236 AromaticContact ND1-CZ 3.52Å; H223-F236 AromaticContact NE2-CE1 3.71Å; H225-F236 AromaticContact CE1-CD2 3.96Å; H225-F236 AromaticContact CE1-CE2 3.84Å; T232-F236 VanDerWaalsContact O-CD2 3.3Å; T232-F236 WeakPolarHBondContact O-CD2 3.24Å; L233-F236 PolarHBondContact O-N 3.24Å; R234-F236 PolarHBondContact O-N 3.38Å |
| 237 | F | 97.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.009 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -138.1 | 137 | -174.6 | -53.6 | -78.6 | 0 | 0 | 0 | 110 | D108 V114 K155 I157 H195 L233 I241 L242 | D108-F237 HydrophobicContact CB-CD1 4.13Å; V114-F237 HydrophobicContact CB-CE1 4.45Å; V114-F237 HydrophobicContact CG1-CD1 4.14Å; V114-F237 HydrophobicContact CG1-CE1 3.71Å; V114-F237 HydrophobicContact CG1-CZ 4.39Å; V114-F237 HydrophobicContact CG2-CD1 4.03Å; V114-F237 HydrophobicContact CG2-CE1 3.84Å; K155-F237 HydrophobicContact CB-CE1 3.82Å; K155-F237 HydrophobicContact CB-CZ 3.86Å; K155-F237 HydrophobicContact CD-CE1 3.56Å; K155-F237 HydrophobicContact CD-CZ 3.73Å; K155-F237 HydrophobicContact CG-CE1 4.35Å; K155-F237 HydrophobicContact CG-CZ 4.46Å; I157-F237 HydrophobicContact CD1-CD2 4.18Å; I157-F237 HydrophobicContact CD1-CE1 4.46Å; I157-F237 HydrophobicContact CD1-CE2 3.81Å; I157-F237 HydrophobicContact CD1-CZ 3.96Å; I157-F237 HydrophobicContact CG1-CE2 3.98Å; I157-F237 HydrophobicContact CG1-CZ 3.92Å; H195-F237 AromaticContact CD2-CE2 3.7Å; H195-F237 AromaticContact CD2-CZ 3.53Å; H195-F237 AromaticContact CG-CE2 3.83Å; H195-F237 AromaticContact NE2-CE2 3.86Å; H195-F237 AromaticContact NE2-CZ 3.71Å; L233-F237 HydrophobicContact CD2-CD2 3.98Å; L233-F237 HydrophobicContact CD2-CE2 3.87Å; L233-F237 PolarHBondContact O-N 3.49Å; F237-I241 HydrophobicContact CB-CD1 4.3Å; F237-I241 HydrophobicContact CB-CG1 4.49Å; F237-I241 HydrophobicContact CD1-CD1 4.35Å; F237-L242 HydrophobicContact CB-CD1 3.89Å; F237-L242 HydrophobicContact CB-CD2 3.88Å; F237-L242 HydrophobicContact CB-CG 3.79Å; F237-L242 HydrophobicContact CD2-CD2 4.39Å; F237-L242 HydrophobicContact CG-CD2 4.12Å |
| 238 | S | 95.6 | Very high | 95.7 | Very high | 27 Ų | 27 | 54.7 Ų | 54.7 | 19% | 0.189 | 27% | 0.273 | C | S | . | . | trans | -66.7 | 148.8 | 175.6 | -50 | 0 | 0 | 0 | 0 | 111.4 | L109 D240 I241 L242 | L109-S238 WeakPolarHBondContact CD2-OG 3.49Å; L109-S238 WeakPolarHBondContact CG-OG 3.29Å; S238-D240 VanDerWaalsContact C-N 3.26Å; S238-D240 WeakPolarHBondContact CB-OD1 3.39Å; S238-D240 PolarHBondContact O-N 3.48Å; S238-I241 VanDerWaalsContact O-CG1 3.31Å; S238-I241 WeakPolarHBondContact O-CG1 3.25Å; S238-I241 PolarHBondContact O-N 3.32Å; S238-L242 PolarHBondContact O-N 2.58Å | ||
| 239 | E | 94.4 | Very high | 95.8 | Very high | 93 Ų | 93 | 54.9 Ų | 54.9 | 44% | 0.435 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -34.2 | -177.6 | -164.4 | 169.1 | -178 | 0 | 0 | 112.1 | R234 I241 L242 G248 S249 | R234-E239 IonicContact CZ-OE1 3.72Å; R234-E239 IonicContact CZ-OE2 2.83Å; R234-E239 IonicContact NH1-OE2 3.82Å; R234-E239 IonicContact NH2-OE1 2.84Å; R234-E239 PolarHBondContact NH2-OE1 3.35Å; R234-E239 IonicContact NH2-OE2 2.77Å; E239-I241 VanDerWaalsContact C-N 3.33Å; E239-I241 PolarHBondContact O-N 3.08Å; E239-L242 PolarHBondContact O-N 3.26Å; E239-G248 CarbonylContact O-C 3.57Å; E239-G248 WeakPolarHBondContact O-CA 3.37Å; E239-S249 PolarHBondContact O-N 3.18Å |
| 240 | D | 95.6 | Very high | 95.7 | Very high | 96 Ų | 96 | 54.5 Ų | 54.5 | 51% | 0.513 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -24.5 | -177.6 | 61.2 | -48.1 | 0 | 0 | 0 | 114.4 | S238 S249 G250 | S238-D240 VanDerWaalsContact C-N 3.26Å; S238-D240 WeakPolarHBondContact CB-OD1 3.39Å; S238-D240 PolarHBondContact O-N 3.48Å; D240-S249 WeakPolarHBondContact CA-OG 3.35Å; D240-G250 VanDerWaalsContact O-CA 3.22Å; D240-G250 WeakPolarHBondContact O-CA 3.45Å; D240-G250 PolarHBondContact O-N 3.23Å |
| 241 | I | 96.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -27.6 | 178.7 | 72.9 | 168.7 | 0 | 0 | 0 | 112.2 | L104 D106 D108 V114 F237 S238 E239 | L104-I241 HydrophobicContact CD1-CD1 4.49Å; L104-I241 HydrophobicContact CD1-CG1 4.41Å; L104-I241 WeakPolarHBondContact CD1-O 3.49Å; D106-I241 HydrophobicContact CB-CB 4.28Å; D106-I241 HydrophobicContact CB-CG2 3.63Å; D108-I241 HydrophobicContact CB-CD1 4.26Å; V114-I241 HydrophobicContact CG2-CD1 4.38Å; F237-I241 HydrophobicContact CB-CD1 4.3Å; F237-I241 HydrophobicContact CB-CG1 4.49Å; F237-I241 HydrophobicContact CD1-CD1 4.35Å; S238-I241 VanDerWaalsContact O-CG1 3.31Å; S238-I241 WeakPolarHBondContact O-CG1 3.25Å; S238-I241 PolarHBondContact O-N 3.32Å; E239-I241 VanDerWaalsContact C-N 3.33Å; E239-I241 PolarHBondContact O-N 3.08Å |
| 242 | L | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -75.5 | 141.3 | -176.6 | -74.7 | -179.2 | 0 | 0 | 0 | 111.3 | L104 I157 L233 F237 S238 E239 G248 S249 G250 | L104-L242 HydrophobicContact CD1-CD2 4.36Å; I157-L242 HydrophobicContact CD1-CD2 3.9Å; L233-L242 HydrophobicContact CB-CD1 4.17Å; L233-L242 HydrophobicContact CD1-CD1 4.48Å; F237-L242 HydrophobicContact CB-CD1 3.89Å; F237-L242 HydrophobicContact CB-CD2 3.88Å; F237-L242 HydrophobicContact CB-CG 3.79Å; F237-L242 HydrophobicContact CD2-CD2 4.39Å; F237-L242 HydrophobicContact CG-CD2 4.12Å; S238-L242 PolarHBondContact O-N 2.58Å; E239-L242 PolarHBondContact O-N 3.26Å; L242-G248 CarbonylContact O-C 3.56Å; L242-G248 VanDerWaalsContact O-CA 3.29Å; L242-G248 WeakPolarHBondContact O-CA 3.41Å; L242-S249 PolarHBondContact O-N 2.9Å; L242-G250 WeakPolarHBondContact O-CA 3.16Å; L242-G250 PolarHBondContact O-N 3.36Å |
| 243 | P | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -59.7 | 155.2 | 169.7 | -24.8 | 33.5 | 0 | 0 | 0 | 113.2 | L104 I116 E245 Y246 G247 G248 P251 M253 V256 | L104-P243 HydrophobicContact CD2-CG 3.9Å; I116-P243 HydrophobicContact CD1-CG 3.95Å; P243-E245 VanDerWaalsContact C-N 3.25Å; P243-E245 WeakPolarHBondContact CB-OE2 3.48Å; P243-E245 PolarHBondContact O-N 3.3Å; P243-Y246 HydrophobicContact CB-CD2 4.02Å; P243-Y246 HydrophobicContact CG-CD2 3.96Å; P243-Y246 HydrophobicContact CG-CE2 4.45Å; P243-Y246 CarbonylContact O-C 3.55Å; P243-Y246 WeakPolarHBondContact O-CA 3.43Å; P243-Y246 PolarHBondContact O-N 3.21Å; P243-G247 PolarHBondContact O-N 2.81Å; P243-G248 PolarHBondContact O-N 3.06Å; P243-G248 VanDerWaalsContact O-N 3.15Å; P243-P251 VanDerWaalsContact CA-O 3.3Å; P243-P251 WeakPolarHBondContact CA-O 3.49Å; P243-P251 WeakPolarHBondContact CB-O 3.46Å; P243-M253 HydrophobicContact CB-CG 3.84Å; P243-M253 HydrophobicContact CB-SD 4.17Å; P243-M253 HydrophobicContact CG-CG 3.97Å; P243-M253 HydrophobicContact CG-SD 3.6Å; P243-M253 VanDerWaalsContact CG-SD 3.6Å; P243-V256 HydrophobicContact CG-CG2 4.39Å |
| 244 | Q | 94.8 | Very high | 96.2 | Very high | 128 Ų | 128 | 50 Ų | 50 | 60% | 0.598 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -59.3 | -36.6 | -179.9 | -63.5 | 179.1 | 20.2 | 0 | 0 | 112.6 | Y246 G247 G248 | Q244-Y246 PolarHBondContact O-N 2.65Å; Q244-Y246 VanDerWaalsContact O-N 3.14Å; Q244-G247 PolarHBondContact O-N 3Å; Q244-G248 WeakPolarHBondContact CA-O 3.41Å |
| 245 | E | 96.6 | Very high | 96.4 | Very high | 79 Ų | 79 | 49.7 Ų | 49.7 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -56.6 | -30.3 | 175.4 | -62.5 | 89.9 | 155 | 0 | 0 | 111.7 | K230 P243 M253 | K230-E245 WeakPolarHBondContact CE-O 3.43Å; P243-E245 VanDerWaalsContact C-N 3.25Å; P243-E245 WeakPolarHBondContact CB-OE2 3.48Å; P243-E245 PolarHBondContact O-N 3.3Å; E245-M253 WeakPolarHBondContact OE1-CB 3.26Å; E245-M253 PolarHBondContact OE1-N 3.07Å; E245-M253 VanDerWaalsContact OE1-N 3.1Å; E245-M253 PolarHBondContact OE2-N 2.95Å |
| 246 | Y | 97.3 | Very high | 96.7 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 2% | 0.02 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -101.5 | 14.1 | -178.6 | -54.9 | -49.4 | 0 | 0 | 0 | 114.4 | I116 R118 D159 I197 F229 P243 Q244 M253 | I116-Y246 HydrophobicContact CD1-CD2 4.02Å; I116-Y246 HydrophobicContact CD1-CE2 3.98Å; I116-Y246 HydrophobicContact CG2-CE2 3.8Å; R118-Y246 WeakPolarHBondContact CD-OH 3.39Å; R118-Y246 WeakPolarHBondContact CG-OH 3.44Å; D159-Y246 HydrophobicContact CB-CE1 4.19Å; D159-Y246 WeakPolarHBondContact CB-OH 3.35Å; D159-Y246 VanDerWaalsContact OD2-CE1 3.31Å; D159-Y246 WeakPolarHBondContact OD2-CE1 3.23Å; D159-Y246 PolarHBondContact OD2-OH 2.91Å; I197-Y246 HydrophobicContact CD1-CD1 3.49Å; I197-Y246 VanDerWaalsContact CD1-CD1 3.49Å; I197-Y246 HydrophobicContact CD1-CE1 3.47Å; I197-Y246 VanDerWaalsContact CD1-CE1 3.47Å; I197-Y246 HydrophobicContact CD1-CG 4.41Å; F229-Y246 AromaticContact CE2-CD1 3.97Å; F229-Y246 HydrophobicContact CE2-CD1 3.97Å; P243-Y246 HydrophobicContact CB-CD2 4.02Å; P243-Y246 HydrophobicContact CG-CD2 3.96Å; P243-Y246 HydrophobicContact CG-CE2 4.45Å; P243-Y246 CarbonylContact O-C 3.55Å; P243-Y246 WeakPolarHBondContact O-CA 3.43Å; P243-Y246 PolarHBondContact O-N 3.21Å; Q244-Y246 PolarHBondContact O-N 2.65Å; Q244-Y246 VanDerWaalsContact O-N 3.14Å; Y246-M253 HydrophobicContact CD2-CG 4.24Å; Y246-M253 HydrophobicContact CD2-SD 4.37Å; Y246-M253 HydrophobicContact CE2-CE 4.49Å; Y246-M253 HydrophobicContact CE2-CG 3.51Å; Y246-M253 HydrophobicContact CE2-SD 3.63Å |
| 247 | G | 94.3 | Very high | 96.7 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 12% | 0.124 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 21.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R234 P243 Q244 | R234-G247 PolarHBondContact NH2-O 2.93Å; P243-G247 PolarHBondContact O-N 2.81Å; Q244-G247 PolarHBondContact O-N 3Å |
| 248 | G | 96.2 | Very high | 96.8 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | trans | -103 | -173 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E239 L242 P243 Q244 | E239-G248 CarbonylContact O-C 3.57Å; E239-G248 WeakPolarHBondContact O-CA 3.37Å; L242-G248 CarbonylContact O-C 3.56Å; L242-G248 VanDerWaalsContact O-CA 3.29Å; L242-G248 WeakPolarHBondContact O-CA 3.41Å; P243-G248 PolarHBondContact O-N 3.06Å; P243-G248 VanDerWaalsContact O-N 3.15Å; Q244-G248 WeakPolarHBondContact CA-O 3.41Å | ||
| 249 | S | 96.8 | Very high | 96.9 | Very high | 82 Ų | 82 | 46.7 Ų | 46.7 | 57% | 0.573 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -121.7 | 11 | 176 | 67.4 | 0 | 0 | 0 | 0 | 113.1 | E239 D240 L242 | E239-S249 PolarHBondContact O-N 3.18Å; D240-S249 WeakPolarHBondContact CA-OG 3.35Å; L242-S249 PolarHBondContact O-N 2.9Å |
| 250 | G | 95.8 | Very high | 97.1 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -75 | -174.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D240 L242 | D240-G250 VanDerWaalsContact O-CA 3.22Å; D240-G250 WeakPolarHBondContact O-CA 3.45Å; D240-G250 PolarHBondContact O-N 3.23Å; L242-G250 WeakPolarHBondContact O-CA 3.16Å; L242-G250 PolarHBondContact O-N 3.36Å |
| 251 | P | 96.4 | Very high | 97.3 | Very high | 55 Ų | 55 | 39 Ų | 39 | 36% | 0.357 | 22% | 0.221 | S | C | . | . | trans | -55.8 | 150.4 | 176.7 | -24.9 | 35.3 | 0 | 0 | 0 | 112.7 | P243 E255 V256 | P243-P251 VanDerWaalsContact CA-O 3.3Å; P243-P251 WeakPolarHBondContact CA-O 3.49Å; P243-P251 WeakPolarHBondContact CB-O 3.46Å; P251-E255 WeakPolarHBondContact CA-OE2 3.43Å; P251-E255 HydrophobicContact CB-CB 4.2Å; P251-E255 WeakPolarHBondContact CB-OE2 3.36Å; P251-V256 HydrophobicContact CB-CG2 4.07Å | ||
| 252 | S | 97.7 | Very high | 97.4 | Very high | 27 Ų | 27 | 41.4 Ų | 41.4 | 19% | 0.189 | 24% | 0.239 | C | C | . | . | trans | -63.8 | 158 | 178.2 | 68.4 | 0 | 0 | 0 | 0 | 111.6 | E254 E255 V256 | S252-E254 PolarHBondContact O-N 3.15Å; S252-E255 PolarHBondContact N-OE2 2.95Å; S252-E255 VanDerWaalsContact N-OE2 3.08Å; S252-E255 PolarHBondContact O-N 3.15Å; S252-E255 VanDerWaalsContact O-N 3.14Å; S252-E255 WeakPolarHBondContact OG-CG 3.27Å; S252-E255 PolarHBondContact OG-N 2.87Å; S252-V256 WeakPolarHBondContact O-CG2 3.45Å; S252-V256 PolarHBondContact O-N 3.01Å | ||
| 253 | M | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -26.7 | 176.1 | -87.3 | -57.3 | -62.9 | 0 | 0 | 113.3 | I116 R118 P243 E245 Y246 V256 C257 | I116-M253 HydrophobicContact CB-CE 4.09Å; I116-M253 HydrophobicContact CB-SD 4.32Å; I116-M253 HydrophobicContact CD1-SD 3.81Å; I116-M253 HydrophobicContact CG2-CE 3.71Å; I116-M253 HydrophobicContact CG2-SD 4.01Å; R118-M253 HydrophobicContact CG-CE 4.07Å; P243-M253 HydrophobicContact CB-CG 3.84Å; P243-M253 HydrophobicContact CB-SD 4.17Å; P243-M253 HydrophobicContact CG-CG 3.97Å; P243-M253 HydrophobicContact CG-SD 3.6Å; P243-M253 VanDerWaalsContact CG-SD 3.6Å; E245-M253 WeakPolarHBondContact OE1-CB 3.26Å; E245-M253 PolarHBondContact OE1-N 3.07Å; E245-M253 VanDerWaalsContact OE1-N 3.1Å; E245-M253 PolarHBondContact OE2-N 2.95Å; Y246-M253 HydrophobicContact CD2-CG 4.24Å; Y246-M253 HydrophobicContact CD2-SD 4.37Å; Y246-M253 HydrophobicContact CE2-CE 4.49Å; Y246-M253 HydrophobicContact CE2-CG 3.51Å; Y246-M253 HydrophobicContact CE2-SD 3.63Å; M253-V256 HydrophobicContact SD-CB 4.44Å; M253-V256 HydrophobicContact SD-CG1 4.49Å; M253-C257 VanDerWaalsContact O-CB 3.29Å; M253-C257 WeakPolarHBondContact O-CB 3.38Å; M253-C257 PolarHBondContact O-N 3.32Å; M253-C257 PolarHBondContact O-SG 2.97Å |
| 254 | E | 97.7 | Very high | 97.5 | Very high | 106 Ų | 106 | 44.8 Ų | 44.8 | 50% | 0.495 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.4 | -50.4 | 172.4 | -178.9 | 171.9 | -176.4 | 0 | 0 | 111.3 | S252 V256 C257 Q258 | S252-E254 PolarHBondContact O-N 3.15Å; E254-V256 PolarHBondContact O-N 3.4Å; E254-C257 PolarHBondContact O-N 3.02Å; E254-Q258 HydrophobicContact CG-CG 4.44Å; E254-Q258 VanDerWaalsContact CG-NE2 3.3Å; E254-Q258 WeakPolarHBondContact O-CB 3.37Å; E254-Q258 VanDerWaalsContact O-CG 3.27Å; E254-Q258 WeakPolarHBondContact O-CG 3.44Å; E254-Q258 PolarHBondContact O-N 3.37Å; E254-Q258 PolarHBondContact OE1-NE2 3.32Å |
| 255 | E | 98.1 | Very high | 97.6 | Very high | 115 Ų | 115 | 42.1 Ų | 42.1 | 54% | 0.537 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.5 | -42.4 | 177.7 | -70.9 | 168.9 | 165.8 | 0 | 0 | 111.9 | P251 S252 Q258 G259 | P251-E255 WeakPolarHBondContact CA-OE2 3.43Å; P251-E255 HydrophobicContact CB-CB 4.2Å; P251-E255 WeakPolarHBondContact CB-OE2 3.36Å; S252-E255 PolarHBondContact N-OE2 2.95Å; S252-E255 VanDerWaalsContact N-OE2 3.08Å; S252-E255 PolarHBondContact O-N 3.15Å; S252-E255 VanDerWaalsContact O-N 3.14Å; S252-E255 WeakPolarHBondContact OG-CG 3.27Å; S252-E255 PolarHBondContact OG-N 2.87Å; E255-Q258 PolarHBondContact O-N 3.29Å; E255-G259 PolarHBondContact O-N 2.83Å |
| 256 | V | 98.6 | Very high | 97.7 | Very high | 12 Ų | 12 | 45.9 Ų | 45.9 | 7% | 0.073 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 177.5 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | L104 P243 P251 S252 M253 E254 W260 | L104-V256 HydrophobicContact CD2-CG1 4.05Å; L104-V256 HydrophobicContact CD2-CG2 4.03Å; P243-V256 HydrophobicContact CG-CG2 4.39Å; P251-V256 HydrophobicContact CB-CG2 4.07Å; S252-V256 WeakPolarHBondContact O-CG2 3.45Å; S252-V256 PolarHBondContact O-N 3.01Å; M253-V256 HydrophobicContact SD-CB 4.44Å; M253-V256 HydrophobicContact SD-CG1 4.49Å; E254-V256 PolarHBondContact O-N 3.4Å; V256-W260 WeakPolarHBondContact O-CB 3.46Å; V256-W260 PolarHBondContact O-N 2.9Å |
| 257 | C | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 179 | -76.6 | 0 | 0 | 0 | 0 | 112.3 | N99 H101 R118 M253 E254 W260 T261 | N99-C257 HydrophobicContact CB-CB 4.22Å; N99-C257 PolarHBondContact O-SG 3.36Å; N99-C257 WeakPolarHBondContact OD1-CB 3.2Å; H101-C257 VanDerWaalsContact C-SG 3.56Å; H101-C257 PolarHBondContact O-SG 3.27Å; R118-C257 PolarHBondContact NH2-SG 3.1Å; M253-C257 VanDerWaalsContact O-CB 3.29Å; M253-C257 WeakPolarHBondContact O-CB 3.38Å; M253-C257 PolarHBondContact O-N 3.32Å; M253-C257 PolarHBondContact O-SG 2.97Å; E254-C257 PolarHBondContact O-N 3.02Å; C257-W260 PolarHBondContact O-N 3.45Å; C257-T261 VanDerWaalsContact O-CB 3.27Å; C257-T261 WeakPolarHBondContact O-CB 3.08Å; C257-T261 PolarHBondContact O-N 2.64Å; C257-T261 PolarHBondContact O-OG1 3.34Å |
| 258 | Q | 98.3 | Very high | 97.9 | Very high | 96 Ų | 96 | 50.1 Ų | 50.1 | 45% | 0.449 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 177 | -74 | 174.4 | 4.3 | 0 | 0 | 111.1 | E254 E255 W260 T261 S262 | E254-Q258 HydrophobicContact CG-CG 4.44Å; E254-Q258 VanDerWaalsContact CG-NE2 3.3Å; E254-Q258 WeakPolarHBondContact O-CB 3.37Å; E254-Q258 VanDerWaalsContact O-CG 3.27Å; E254-Q258 WeakPolarHBondContact O-CG 3.44Å; E254-Q258 PolarHBondContact O-N 3.37Å; E254-Q258 PolarHBondContact OE1-NE2 3.32Å; E255-Q258 PolarHBondContact O-N 3.29Å; Q258-W260 VanDerWaalsContact C-N 3.34Å; Q258-W260 PolarHBondContact O-N 3.48Å; Q258-T261 PolarHBondContact O-N 3.11Å; Q258-S262 PolarHBondContact O-N 2.89Å; Q258-S262 PolarHBondContact O-OG 3.06Å |
| 259 | G | 98.5 | Very high | 97.9 | Very high | 45 Ų | 45 | 56.5 Ų | 56.5 | 46% | 0.464 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E255 H263 | E255-G259 PolarHBondContact O-N 2.83Å; G259-H263 PolarHBondContact O-N 2.93Å; G259-H263 VanDerWaalsContact O-N 3.08Å |
| 260 | W | 98.8 | Very high | 97.7 | Very high | 12 Ų | 12 | 55.5 Ų | 55.5 | 5% | 0.045 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70 | -38.5 | 177.1 | -167.3 | -118.8 | 0 | 0 | 0 | 113 | H101 V103 T139 L142 I143 V256 C257 Q258 S262 H263 I264 | H101-W260 AromaticContact CD2-CD1 3.49Å; H101-W260 VanDerWaalsContact CD2-CD1 3.49Å; H101-W260 AromaticContact CD2-NE1 3.52Å; H101-W260 AromaticContact NE2-CD1 3.56Å; H101-W260 AromaticContact NE2-NE1 3.26Å; H101-W260 PolarHBondContact NE2-NE1 3.2Å; V103-W260 HydrophobicContact CB-CD2 3.65Å; V103-W260 HydrophobicContact CB-CE3 3.68Å; V103-W260 HydrophobicContact CB-CG 4.09Å; V103-W260 HydrophobicContact CB-CH2 4.49Å; V103-W260 HydrophobicContact CB-CZ2 4.47Å; V103-W260 HydrophobicContact CB-CZ3 4.1Å; V103-W260 HydrophobicContact CG1-CE3 4.44Å; V103-W260 HydrophobicContact CG1-CZ3 4.42Å; V103-W260 HydrophobicContact CG2-CD2 3.44Å; V103-W260 VanDerWaalsContact CG2-CD2 3.44Å; V103-W260 HydrophobicContact CG2-CE3 3.92Å; V103-W260 HydrophobicContact CG2-CG 3.85Å; V103-W260 HydrophobicContact CG2-CH2 4.18Å; V103-W260 HydrophobicContact CG2-CZ2 3.74Å; V103-W260 HydrophobicContact CG2-CZ3 4.25Å; T139-W260 HydrophobicContact CG2-CZ2 3.69Å; T139-W260 PolarHBondContact OG1-NE1 3.33Å; T139-W260 VanDerWaalsContact OG1-NE1 3.12Å; L142-W260 HydrophobicContact CB-CH2 4.25Å; L142-W260 HydrophobicContact CB-CZ2 4.38Å; L142-W260 HydrophobicContact CD1-CH2 4.48Å; L142-W260 HydrophobicContact CD1-CZ2 4.23Å; I143-W260 HydrophobicContact CG2-CH2 3.69Å; I143-W260 HydrophobicContact CG2-CZ2 4.07Å; V256-W260 WeakPolarHBondContact O-CB 3.46Å; V256-W260 PolarHBondContact O-N 2.9Å; C257-W260 PolarHBondContact O-N 3.45Å; Q258-W260 VanDerWaalsContact C-N 3.34Å; Q258-W260 PolarHBondContact O-N 3.48Å; W260-S262 PolarHBondContact O-N 3.15Å; W260-H263 HydrophobicContact CE3-CB 4.17Å; W260-H263 AromaticContact CE3-CD2 3.79Å; W260-H263 AromaticContact CH2-CD2 3.44Å; W260-H263 VanDerWaalsContact CH2-CD2 3.44Å; W260-H263 WeakPolarHBondContact CH2-CD2 3.42Å; W260-H263 AromaticContact CH2-NE2 3.95Å; W260-H263 HydrophobicContact CZ3-CB 4.41Å; W260-H263 AromaticContact CZ3-CD2 3.21Å; W260-H263 WeakPolarHBondContact CZ3-CD2 3.3Å; W260-H263 AromaticContact CZ3-CG 3.98Å; W260-H263 AromaticContact CZ3-NE2 3.9Å; W260-H263 WeakPolarHBondContact O-CB 3.31Å; W260-H263 PolarHBondContact O-N 3.23Å; W260-I264 WeakPolarHBondContact O-CG1 3.29Å; W260-I264 PolarHBondContact O-N 3.31Å |
| 261 | T | 98.8 | Very high | 97.7 | Very high | 15 Ų | 15 | 55.1 Ų | 55.1 | 9% | 0.092 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 175.1 | -61.9 | 0 | 0 | 0 | 0 | 111 | L96 C257 Q258 H263 I264 L265 | L96-T261 HydrophobicContact CB-CG2 3.83Å; L96-T261 HydrophobicContact CD1-CG2 4.37Å; C257-T261 VanDerWaalsContact O-CB 3.27Å; C257-T261 WeakPolarHBondContact O-CB 3.08Å; C257-T261 PolarHBondContact O-N 2.64Å; C257-T261 PolarHBondContact O-OG1 3.34Å; Q258-T261 PolarHBondContact O-N 3.11Å; T261-H263 VanDerWaalsContact C-N 3.3Å; T261-H263 PolarHBondContact O-N 3.42Å; T261-I264 PolarHBondContact O-N 3.23Å; T261-L265 HydrophobicContact CG2-CD1 4.15Å; T261-L265 WeakPolarHBondContact O-CG 3.47Å; T261-L265 PolarHBondContact O-N 2.91Å |
| 262 | S | 98.6 | Very high | 97.6 | Very high | 60 Ų | 60 | 54.6 Ų | 54.6 | 42% | 0.42 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 174.9 | -62.7 | 0 | 0 | 0 | 0 | 112 | Q258 W260 L265 Q266 | Q258-S262 PolarHBondContact O-N 2.89Å; Q258-S262 PolarHBondContact O-OG 3.06Å; W260-S262 PolarHBondContact O-N 3.15Å; S262-L265 PolarHBondContact O-N 3.43Å; S262-Q266 WeakPolarHBondContact O-CB 3.17Å; S262-Q266 VanDerWaalsContact O-CG 3.23Å; S262-Q266 WeakPolarHBondContact O-CG 3.31Å; S262-Q266 PolarHBondContact O-N 3.36Å |
| 263 | H | 98.6 | Very high | 97.2 | Very high | 71 Ų | 71 | 59.5 Ų | 59.5 | 33% | 0.329 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 176.9 | -178.3 | 66.6 | 0 | 0 | 0 | 112.9 | G259 W260 T261 Q266 S267 | G259-H263 PolarHBondContact O-N 2.93Å; G259-H263 VanDerWaalsContact O-N 3.08Å; W260-H263 HydrophobicContact CE3-CB 4.17Å; W260-H263 AromaticContact CE3-CD2 3.79Å; W260-H263 AromaticContact CH2-CD2 3.44Å; W260-H263 VanDerWaalsContact CH2-CD2 3.44Å; W260-H263 WeakPolarHBondContact CH2-CD2 3.42Å; W260-H263 AromaticContact CH2-NE2 3.95Å; W260-H263 HydrophobicContact CZ3-CB 4.41Å; W260-H263 AromaticContact CZ3-CD2 3.21Å; W260-H263 WeakPolarHBondContact CZ3-CD2 3.3Å; W260-H263 AromaticContact CZ3-CG 3.98Å; W260-H263 AromaticContact CZ3-NE2 3.9Å; W260-H263 WeakPolarHBondContact O-CB 3.31Å; W260-H263 PolarHBondContact O-N 3.23Å; T261-H263 VanDerWaalsContact C-N 3.3Å; T261-H263 PolarHBondContact O-N 3.42Å; H263-Q266 PolarHBondContact O-N 3.21Å; H263-S267 WeakPolarHBondContact O-CB 3.43Å; H263-S267 PolarHBondContact O-N 3.26Å; H263-S267 VanDerWaalsContact O-N 3.12Å; H263-S267 PolarHBondContact O-OG 3.06Å |
| 264 | I | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60 | -46.6 | 174.5 | -73.2 | 173.3 | 0 | 0 | 0 | 110.5 | P89 L96 I138 L142 W260 T261 Q266 S267 E268 L271 | P89-I264 HydrophobicContact CB-CG2 3.77Å; P89-I264 HydrophobicContact CG-CG2 3.65Å; L96-I264 HydrophobicContact CD1-CB 4.44Å; L96-I264 HydrophobicContact CD1-CD1 4.09Å; L96-I264 HydrophobicContact CD1-CG2 3.98Å; L96-I264 HydrophobicContact CD2-CD1 3.85Å; I138-I264 HydrophobicContact CG2-CD1 4.18Å; I138-I264 HydrophobicContact CG2-CG1 4.18Å; I138-I264 HydrophobicContact CG2-CG2 4.02Å; L142-I264 HydrophobicContact CD1-CG1 3.87Å; W260-I264 WeakPolarHBondContact O-CG1 3.29Å; W260-I264 PolarHBondContact O-N 3.31Å; T261-I264 PolarHBondContact O-N 3.23Å; I264-Q266 PolarHBondContact O-N 3.45Å; I264-S267 PolarHBondContact O-N 3.39Å; I264-S267 VanDerWaalsContact O-N 3.07Å; I264-E268 PolarHBondContact O-N 3.39Å; I264-L271 HydrophobicContact CG2-CD1 4.18Å |
| 265 | L | 98.4 | Very high | 96.4 | Very high | 72 Ų | 72 | 56.8 Ų | 56.8 | 38% | 0.377 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 179.1 | -69.6 | 171.7 | 0 | 0 | 0 | 112.2 | P89 L93 T261 S262 S267 E268 | P89-L265 HydrophobicContact CB-CD2 3.79Å; L93-L265 HydrophobicContact CD1-CD2 4.16Å; T261-L265 HydrophobicContact CG2-CD1 4.15Å; T261-L265 WeakPolarHBondContact O-CG 3.47Å; T261-L265 PolarHBondContact O-N 2.91Å; S262-L265 PolarHBondContact O-N 3.43Å; L265-S267 PolarHBondContact O-N 3.18Å; L265-E268 WeakPolarHBondContact O-CB 3.44Å; L265-E268 PolarHBondContact O-N 3.37Å |
| 266 | Q | 98.4 | Very high | 95.5 | Very high | 158 Ų | 158 | 54.7 Ų | 54.7 | 74% | 0.738 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.4 | -18.6 | 175.2 | -72.1 | 167.8 | 2.6 | 0 | 0 | 113.1 | S262 H263 I264 | S262-Q266 WeakPolarHBondContact O-CB 3.17Å; S262-Q266 VanDerWaalsContact O-CG 3.23Å; S262-Q266 WeakPolarHBondContact O-CG 3.31Å; S262-Q266 PolarHBondContact O-N 3.36Å; H263-Q266 PolarHBondContact O-N 3.21Å; I264-Q266 PolarHBondContact O-N 3.45Å |
| 267 | S | 98.1 | Very high | 93.8 | Very high | 20 Ų | 20 | 59.8 Ų | 59.8 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 12.6 | -179 | -53.2 | 0 | 0 | 0 | 0 | 113.2 | H263 I264 L265 E269 L270 L271 | H263-S267 WeakPolarHBondContact O-CB 3.43Å; H263-S267 PolarHBondContact O-N 3.26Å; H263-S267 VanDerWaalsContact O-N 3.12Å; H263-S267 PolarHBondContact O-OG 3.06Å; I264-S267 PolarHBondContact O-N 3.39Å; I264-S267 VanDerWaalsContact O-N 3.07Å; L265-S267 PolarHBondContact O-N 3.18Å; S267-E269 VanDerWaalsContact C-N 3.29Å; S267-E269 PolarHBondContact O-N 3.4Å; S267-L270 PolarHBondContact O-N 3.39Å; S267-L271 WeakPolarHBondContact O-CG 3.36Å; S267-L271 PolarHBondContact O-N 2.8Å |
| 268 | E | 96.9 | Very high | 91.5 | Very high | 85 Ų | 85 | 64.8 Ų | 64.8 | 40% | 0.397 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.5 | -38.1 | -175.3 | 177.7 | 168.3 | -156.2 | 0 | 0 | 113.6 | P89 I264 L265 L271 T272 | P89-E268 HydrophobicContact CG-CB 4.18Å; P89-E268 HydrophobicContact CG-CG 4.47Å; I264-E268 PolarHBondContact O-N 3.39Å; L265-E268 WeakPolarHBondContact O-CB 3.44Å; L265-E268 PolarHBondContact O-N 3.37Å; E268-L271 PolarHBondContact O-N 2.84Å; E268-T272 WeakPolarHBondContact O-CB 2.95Å; E268-T272 PolarHBondContact O-N 3.18Å; E268-T272 PolarHBondContact O-OG1 3.18Å |
| 269 | E | 95.9 | Very high | 88.8 | Confident | 147 Ų | 147 | 64.6 Ų | 64.6 | 69% | 0.687 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.4 | -50.1 | 178.3 | -172.7 | -174.2 | 167.7 | 0 | 0 | 111.3 | S267 L271 T272 Q273 | S267-E269 VanDerWaalsContact C-N 3.29Å; S267-E269 PolarHBondContact O-N 3.4Å; E269-L271 VanDerWaalsContact C-N 3.33Å; E269-L271 PolarHBondContact O-N 3.19Å; E269-T272 PolarHBondContact O-N 3.42Å; E269-Q273 WeakPolarHBondContact O-CG 3.35Å; E269-Q273 PolarHBondContact O-N 3.4Å; E269-Q273 PolarHBondContact OE1-NE2 2.93Å |
| 270 | L | 93.7 | Very high | 85.8 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 31% | 0.314 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 177 | 174.1 | 61.9 | 0 | 0 | 0 | 111 | L142 Q145 S267 T272 Q273 L274 | L142-L270 HydrophobicContact CD2-CD2 4.02Å; Q145-L270 HydrophobicContact CG-CD2 4.44Å; S267-L270 PolarHBondContact O-N 3.39Å; L270-T272 VanDerWaalsContact C-N 3.3Å; L270-T272 PolarHBondContact O-N 2.98Å; L270-Q273 PolarHBondContact O-N 3.23Å; L270-L274 HydrophobicContact CD1-CD1 4.1Å; L270-L274 HydrophobicContact CD1-CG 4.21Å; L270-L274 HydrophobicContact CG-CD1 4.04Å; L270-L274 VanDerWaalsContact O-CG 3.31Å; L270-L274 WeakPolarHBondContact O-CG 3.32Å; L270-L274 PolarHBondContact O-N 2.84Å |
| 271 | L | 95.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.5 | -34.5 | 179.7 | -68.2 | 170.2 | 0 | 0 | 0 | 112.3 | L87 P89 I138 L142 I264 S267 E268 E269 L274 S275 | L87-L271 HydrophobicContact CB-CB 4.36Å; L87-L271 HydrophobicContact CB-CD2 4.36Å; L87-L271 WeakPolarHBondContact O-CB 3.39Å; P89-L271 HydrophobicContact CG-CD1 3.87Å; I138-L271 HydrophobicContact CB-CD2 4.42Å; I138-L271 HydrophobicContact CG1-CD2 4.42Å; I138-L271 HydrophobicContact CG2-CD1 3.77Å; I138-L271 HydrophobicContact CG2-CD2 3.91Å; L142-L271 HydrophobicContact CD2-CD2 4.12Å; L142-L271 HydrophobicContact CD2-CG 4.3Å; L142-L271 HydrophobicContact CG-CD2 4.31Å; I264-L271 HydrophobicContact CG2-CD1 4.18Å; S267-L271 WeakPolarHBondContact O-CG 3.36Å; S267-L271 PolarHBondContact O-N 2.8Å; E268-L271 PolarHBondContact O-N 2.84Å; E269-L271 VanDerWaalsContact C-N 3.33Å; E269-L271 PolarHBondContact O-N 3.19Å; L271-L274 PolarHBondContact O-N 3.25Å; L271-S275 PolarHBondContact O-N 2.98Å; L271-S275 PolarHBondContact O-OG 3.47Å |
| 272 | T | 93.1 | Very high | 79.9 | Confident | 45 Ų | 45 | 82.5 Ų | 82.5 | 28% | 0.276 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 173.5 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | Q88 E268 E269 L270 L274 S275 F277 | Q88-T272 PolarHBondContact NE2-OG1 3.45Å; E268-T272 WeakPolarHBondContact O-CB 2.95Å; E268-T272 PolarHBondContact O-N 3.18Å; E268-T272 PolarHBondContact O-OG1 3.18Å; E269-T272 PolarHBondContact O-N 3.42Å; L270-T272 VanDerWaalsContact C-N 3.3Å; L270-T272 PolarHBondContact O-N 2.98Å; T272-L274 VanDerWaalsContact C-N 3.28Å; T272-L274 PolarHBondContact O-N 3.42Å; T272-S275 WeakPolarHBondContact O-CB 3.37Å; T272-S275 PolarHBondContact O-N 3.08Å; T272-F277 HydrophobicContact CG2-CE2 4.39Å |
| 273 | Q | 90.4 | Very high | 76.9 | Confident | 130 Ų | 130 | 85.5 Ų | 85.5 | 61% | 0.607 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64 | -34 | 175.1 | -68.5 | 173.6 | 11 | 0 | 0 | 112.7 | E269 L270 S275 | E269-Q273 WeakPolarHBondContact O-CG 3.35Å; E269-Q273 PolarHBondContact O-N 3.4Å; E269-Q273 PolarHBondContact OE1-NE2 2.93Å; L270-Q273 PolarHBondContact O-N 3.23Å; Q273-S275 VanDerWaalsContact C-N 3.32Å |
| 274 | L | 89.8 | Confident | 74 | Confident | 35 Ų | 35 | 87.3 Ų | 87.3 | 18% | 0.183 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -76.6 | -18.7 | 177 | -70.2 | 174.1 | 0 | 0 | 0 | 112.9 | R77 L87 E141 L270 L271 T272 | R77-L274 PolarHBondContact NH1-O 3.32Å; R77-L274 PolarHBondContact NH2-O 3.4Å; L87-L274 HydrophobicContact CD1-CB 3.94Å; E141-L274 HydrophobicContact CB-CD1 3.92Å; E141-L274 HydrophobicContact CG-CD1 4.29Å; L270-L274 HydrophobicContact CD1-CD1 4.1Å; L270-L274 HydrophobicContact CD1-CG 4.21Å; L270-L274 HydrophobicContact CG-CD1 4.04Å; L270-L274 VanDerWaalsContact O-CG 3.31Å; L270-L274 WeakPolarHBondContact O-CG 3.32Å; L270-L274 PolarHBondContact O-N 2.84Å; L271-L274 PolarHBondContact O-N 3.25Å; T272-L274 VanDerWaalsContact C-N 3.28Å; T272-L274 PolarHBondContact O-N 3.42Å |
| 275 | S | 88.4 | Confident | 71.1 | Confident | 14 Ų | 14 | 92.2 Ų | 92.2 | 10% | 0.098 | 51% | 0.507 | C | S | . | . | trans | -65 | 144.4 | 180 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | A85 L87 L271 T272 Q273 | A85-S275 CarbonylContact O-C 3.59Å; A85-S275 VanDerWaalsContact O-CA 3.26Å; A85-S275 WeakPolarHBondContact O-CA 3.38Å; A85-S275 WeakPolarHBondContact O-CB 3.48Å; L87-S275 PolarHBondContact N-OG 2.91Å; L271-S275 PolarHBondContact O-N 2.98Å; L271-S275 PolarHBondContact O-OG 3.47Å; T272-S275 WeakPolarHBondContact O-CB 3.37Å; T272-S275 PolarHBondContact O-N 3.08Å; Q273-S275 VanDerWaalsContact C-N 3.32Å | ||
| 276 | I | 79.7 | Confident | 68.3 | Low | 71 Ų | 71 | 95.5 Ų | 95.5 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | trans | -103.2 | 95.5 | 172.6 | -62.3 | 157.8 | 0 | 0 | 0 | 106.4 | R77 A85 | R77-I276 HydrophobicContact CB-CD1 3.88Å; R77-I276 VanDerWaalsContact NH2-CD1 3.3Å; R77-I276 VanDerWaalsContact NH2-CG1 3.32Å; A85-I276 WeakPolarHBondContact CA-O 3.3Å; A85-I276 WeakPolarHBondContact CB-O 3.21Å; A85-I276 PolarHBondContact O-N 3.04Å | ||
| 277 | F | 62.1 | Low | 65.6 | Low | 119 Ų | 119 | 93.5 Ų | 93.5 | 52% | 0.522 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 127.6 | 167.6 | -61.5 | -76.5 | 0 | 0 | 0 | 107.7 | T272 A279 | T272-F277 HydrophobicContact CG2-CE2 4.39Å; F277-A279 PolarHBondContact O-N 3.02Å |
| 278 | P | 50.3 | Low | 62.9 | Low | 105 Ų | 105 | 101.4 Ų | 101.4 | 68% | 0.682 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 140.6 | 167.8 | 18.7 | -22.7 | 0 | 0 | 0 | 108 | V280 | P278-V280 PolarHBondContact O-N 3.06Š|
| 279 | A | 41.5 | Very low | 60.4 | Low | 91 Ų | 91 | 103.2 Ų | 103.2 | 75% | 0.752 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 122.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 106 | F277 D281 | F277-A279 PolarHBondContact O-N 3.02Å; A279-D281 PolarHBondContact O-N 2.88Å |
| 280 | V | 37.4 | Very low | 57.8 | Low | 132 Ų | 132 | 103.4 Ų | 103.4 | 80% | 0.8 | 59% | 0.586 | S | S | * | * | trans | -59.5 | 113.2 | 171 | -177.3 | 0 | 0 | 0 | 0 | 104.1 | P278 E282 | P278-V280 PolarHBondContact O-N 3.06Å; V280-E282 VanDerWaalsContact C-N 3.32Å; V280-E282 PolarHBondContact O-N 2.98Å | ||
| 281 | D | 36.2 | Very low | 55.4 | Low | 143 Ų | 143 | 106.4 Ų | 106.4 | 77% | 0.765 | 61% | 0.611 | S | S | * | * | trans | -55.6 | 108.7 | 164.5 | -76.7 | -35.9 | 0 | 0 | 0 | 104.6 | A279 V283 | A279-D281 PolarHBondContact O-N 2.88Å; D281-V283 PolarHBondContact O-N 2.73Å | ||
| 282 | E | 35.7 | Very low | 52.9 | Low | 173 Ų | 173 | 114.5 Ų | 114.5 | 81% | 0.808 | 65% | 0.649 | S | S | * | * | trans | -58.7 | 92.5 | 168.1 | -80.9 | -177.3 | 162 | 0 | 0 | 105.8 | V280 T284 | V280-E282 VanDerWaalsContact C-N 3.32Å; V280-E282 PolarHBondContact O-N 2.98Å; E282-T284 PolarHBondContact O-N 2.83Å | ||
| 283 | V | 37.2 | Very low | 50.5 | Low | 124 Ų | 124 | 118.1 Ų | 118.1 | 75% | 0.752 | 68% | 0.676 | S | S | * | * | trans | -65 | 91.5 | 159.6 | -180 | 0 | 0 | 0 | 0 | 104 | D281 S285 | D281-V283 PolarHBondContact O-N 2.73Å; V283-S285 PolarHBondContact O-N 3Å | ||
| 284 | T | 37.2 | Very low | 48.1 | Very low | 109 Ų | 109 | 116.7 Ų | 116.7 | 67% | 0.669 | 69% | 0.687 | S | S | * | * | trans | -58.6 | 92.5 | 161.7 | 49.5 | 0 | 0 | 0 | 0 | 106 | E282 D286 | E282-T284 PolarHBondContact O-N 2.83Å; T284-D286 PolarHBondContact O-N 2.81Å | ||
| 285 | S | 37.8 | Very low | 45.9 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | trans | -68.2 | 93.4 | 161.4 | 56.7 | 0 | 0 | 0 | 0 | 106 | V283 | V283-S285 PolarHBondContact O-N 3Š| ||
| 286 | D | 38.3 | Very low | 44 | Very low | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 127.1 | 162.7 | -85 | -32.8 | 0 | 0 | 0 | 107.6 | T284 E288 | T284-D286 PolarHBondContact O-N 2.81Å; D286-E288 PolarHBondContact O-N 3.31Å |
| 287 | P | 42.3 | Very low | 42.5 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 121.6 | 170.8 | 27.9 | -30.1 | 0 | 0 | 0 | 108.3 | ||
| 288 | E | 42.3 | Very low | 41.5 | Very low | 186 Ų | 186 | 138.1 Ų | 138.1 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 132.7 | 167.2 | -84.2 | -174.8 | 147.2 | 0 | 0 | 109.5 | D286 D290 | D286-E288 PolarHBondContact O-N 3.31Å; E288-D290 PolarHBondContact O-N 3.38Å |
| 289 | P | 43.9 | Very low | 41 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 79% | 0.792 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 125.8 | 173.9 | 27.1 | -30.4 | 0 | 0 | 0 | 110 | S291 | P289-S291 PolarHBondContact O-N 3.03Š|
| 290 | D | 40.5 | Very low | 41 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 81% | 0.813 | 83% | 0.831 | S | S | * | * | trans | -43.2 | 118.4 | 172.7 | -90.1 | -40.1 | 0 | 0 | 0 | 112 | E288 Q292 | E288-D290 PolarHBondContact O-N 3.38Å; D290-Q292 PolarHBondContact O-N 3.21Å | ||
| 291 | S | 44.1 | Very low | 41.2 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | trans | -71.5 | 93 | 165.5 | 58.6 | 0 | 0 | 0 | 0 | 109.7 | P289 | P289-S291 PolarHBondContact O-N 3.03Š| ||
| 292 | Q | 43.1 | Very low | 41.6 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | trans | -110 | 115.2 | 158.9 | -77.4 | -170.7 | 5.6 | 0 | 0 | 110.6 | D290 | D290-Q292 PolarHBondContact O-N 3.21Š| ||
| 293 | S | 41.8 | Very low | 41.9 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 85% | 0.846 | 84% | 0.839 | S | S | * | * | trans | 134.6 | 111.4 | 136.7 | 66.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 294 | A | 39.8 | Very low | 42.3 | Very low | 100 Ų | 100 | 142.4 Ų | 142.4 | 83% | 0.826 | 85% | 0.845 | S | S | * | * | trans | 175.8 | 84 | 131 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 295 | Y | 43.5 | Very low | 42.7 | Very low | 234 Ų | 234 | 145 Ų | 145 | 92% | 0.918 | 86% | 0.859 | S | S | * | * | trans | -116.1 | 108.6 | 145.8 | -99.5 | -78.6 | 0 | 0 | 0 | 106.6 | ||||
| 296 | S | 49.6 | Very low | 43.1 | Very low | 115 Ų | 115 | 148.5 Ų | 148.5 | 80% | 0.804 | 87% | 0.87 | S | S | * | * | trans | -169.2 | 114.5 | 151 | -77.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 297 | S | 47.7 | Very low | 43.5 | Very low | 202 Ų | 202 | 149.1 Ų | 149.1 | 100% | 1.413 | 88% | 0.88 | S | S | * | * | trans | 73.7 | 0 | 163.1 | -52.8 | 0 | 0 | 0 | 0 | 118.9 |
Retrieved 297 of 297 residues in 1559.2 ms
(Link to these results)