| 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 | 38.3 | Very low | 82.7 | Confident | 240 Ų | 240 | 86.8 Ų | 86.8 | 100% | 1.182 | 49% | 0.485 | S | S | * | . | 0 | 107.8 | 0 | -87.2 | 177.1 | -97.8 | 0 | 0 | 106 | S3 | M1-S3 PolarHBondContact O-N 3.11Å; M1-S3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | E | 43.1 | Very low | 83.8 | Confident | 199 Ų | 199 | 84.1 Ų | 84.1 | 93% | 0.93 | 47% | 0.468 | S | S | * | . | trans | -62.1 | 112.5 | 169.4 | -73.7 | 178.3 | 158.4 | 0 | 0 | 106.8 | G4 | E2-G4 PolarHBondContact O-N 3.14Š| ||
| 3 | S | 62.6 | Low | 84.8 | Confident | 107 Ų | 107 | 92.3 Ų | 92.3 | 75% | 0.748 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 120.6 | 172.9 | 53.6 | 0 | 0 | 0 | 0 | 107.5 | M1 | M1-S3 PolarHBondContact O-N 3.11Å; M1-S3 VanDerWaalsContact O-N 3.1Å |
| 4 | G | 85.7 | Confident | 85.7 | Confident | 63 Ų | 63 | 92.4 Ų | 92.4 | 65% | 0.649 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 170.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E2 T6 | E2-G4 PolarHBondContact O-N 3.14Å; G4-T6 PolarHBondContact O-N 3.33Å |
| 5 | F | 97.2 | Very high | 86.6 | Confident | 67 Ų | 67 | 87.1 Ų | 87.1 | 29% | 0.294 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -52 | 139.8 | 177.9 | -170.3 | -89.5 | 0 | 0 | 0 | 111.5 | S7 A168 C170 P171 S212 | F5-S7 PolarHBondContact O-N 3.37Å; F5-A168 WeakPolarHBondContact CE1-O 3.31Å; F5-A168 WeakPolarHBondContact CZ-O 3.32Å; F5-C170 WeakPolarHBondContact CE2-O 3.47Å; F5-C170 VanDerWaalsContact CZ-C 3.5Å; F5-C170 VanDerWaalsContact CZ-O 3.27Å; F5-C170 WeakPolarHBondContact CZ-O 3.3Å; F5-P171 HydrophobicContact CB-CB 3.95Å; F5-P171 HydrophobicContact CD1-CB 3.7Å; F5-P171 HydrophobicContact CD2-CB 4.2Å; F5-P171 HydrophobicContact CE1-CB 4.22Å; F5-P171 HydrophobicContact CG-CB 3.68Å; F5-S212 VanDerWaalsContact CD2-CB 3.42Å |
| 6 | T | 97.9 | Very high | 87.3 | Confident | 18 Ų | 18 | 85.5 Ų | 85.5 | 11% | 0.11 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 122 | -175.6 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | G4 T10 Y11 F211 S212 | G4-T6 PolarHBondContact O-N 3.33Å; T6-T10 HydrophobicContact CG2-CG2 3.71Å; T6-Y11 HydrophobicContact CG2-CD2 4.14Å; T6-Y11 HydrophobicContact CG2-CE2 3.76Å; T6-F211 HydrophobicContact CG2-CD1 3.82Å; T6-F211 HydrophobicContact CG2-CE1 4.39Å; T6-S212 PolarHBondContact N-OG 2.96Å; T6-S212 WeakPolarHBondContact OG1-CB 3.39Å; T6-S212 PolarHBondContact OG1-N 3.28Å; T6-S212 PolarHBondContact OG1-OG 3.41Å |
| 7 | S | 97.3 | Very high | 87.9 | Confident | 58 Ų | 58 | 81.2 Ų | 81.2 | 41% | 0.406 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 156.4 | 178.9 | 78 | 0 | 0 | 0 | 0 | 111.5 | F5 D9 T10 Y11 | F5-S7 PolarHBondContact O-N 3.37Å; S7-D9 VanDerWaalsContact C-N 3.28Å; S7-D9 PolarHBondContact O-N 2.85Å; S7-T10 WeakPolarHBondContact O-CA 3.29Å; S7-T10 WeakPolarHBondContact O-CB 3.49Å; S7-T10 PolarHBondContact O-N 3.33Å; S7-T10 PolarHBondContact O-OG1 2.88Å; S7-T10 PolarHBondContact OG-N 3.37Å; S7-T10 PolarHBondContact OG-OG1 2.95Å; S7-Y11 PolarHBondContact O-N 2.99Å |
| 8 | K | 95.9 | Very high | 88.4 | Confident | 57 Ų | 57 | 81.4 Ų | 81.4 | 25% | 0.248 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.5 | -35.4 | 174.4 | -58 | -173 | -165.5 | 169.1 | 0 | 113 | T10 Y11 L12 Y86 D142 T144 | K8-T10 PolarHBondContact O-N 2.77Å; K8-Y11 VanDerWaalsContact O-CB 3.3Å; K8-Y11 WeakPolarHBondContact O-CB 3.27Å; K8-Y11 PolarHBondContact O-N 2.96Å; K8-L12 PolarHBondContact O-N 3.08Å; K8-Y86 HydrophobicContact CB-CD1 4.26Å; K8-Y86 HydrophobicContact CB-CE1 3.52Å; K8-Y86 HydrophobicContact CB-CE2 4.44Å; K8-Y86 HydrophobicContact CD-CD2 4.48Å; K8-Y86 HydrophobicContact CD-CE1 4.43Å; K8-Y86 HydrophobicContact CD-CE2 3.99Å; K8-Y86 HydrophobicContact CG-CE1 4.45Å; K8-Y86 WeakPolarHBondContact O-CE1 3.13Å; K8-D142 IonicContact NZ-OD1 3.32Å; K8-D142 PolarHBondContact NZ-OD1 3.32Å; K8-D142 IonicContact NZ-OD2 2.97Å; K8-D142 PolarHBondContact NZ-OD2 3.21Å; K8-T144 VanDerWaalsContact CE-CG2 3.46Å; K8-T144 VanDerWaalsContact NZ-CG2 3.27Å; K8-T144 PolarHBondContact NZ-OG1 3.34Å |
| 9 | D | 96.3 | Very high | 88.9 | Confident | 86 Ų | 86 | 80.2 Ų | 80.2 | 46% | 0.46 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.6 | -30.1 | 174.2 | -72.1 | -15.3 | 0 | 0 | 0 | 111.9 | S7 Y11 L12 R13 | S7-D9 VanDerWaalsContact C-N 3.28Å; S7-D9 PolarHBondContact O-N 2.85Å; D9-Y11 VanDerWaalsContact C-N 3.31Å; D9-L12 PolarHBondContact O-N 3.01Å; D9-R13 WeakPolarHBondContact O-CG 3.44Å; D9-R13 PolarHBondContact O-N 3.36Å; D9-R13 VanDerWaalsContact O-N 3.15Å |
| 10 | T | 97.3 | Very high | 89.3 | Confident | 34 Ų | 34 | 77.2 Ų | 77.2 | 21% | 0.209 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.6 | -37.1 | 173.8 | -51 | 0 | 0 | 0 | 0 | 111.1 | T6 S7 K8 R13 H14 | T6-T10 HydrophobicContact CG2-CG2 3.71Å; S7-T10 WeakPolarHBondContact O-CA 3.29Å; S7-T10 WeakPolarHBondContact O-CB 3.49Å; S7-T10 PolarHBondContact O-N 3.33Å; S7-T10 PolarHBondContact O-OG1 2.88Å; S7-T10 PolarHBondContact OG-N 3.37Å; S7-T10 PolarHBondContact OG-OG1 2.95Å; K8-T10 PolarHBondContact O-N 2.77Å; T10-R13 PolarHBondContact O-N 2.89Å; T10-H14 HydrophobicContact CG2-CB 4.33Å; T10-H14 WeakPolarHBondContact O-CB 3.32Å; T10-H14 PolarHBondContact O-CD2 2.69Å; T10-H14 PolarHBondContact O-N 3.42Å |
| 11 | Y | 97.8 | Very high | 89.7 | Confident | 26 Ų | 26 | 73.5 Ų | 73.5 | 10% | 0.102 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.3 | -48.6 | 173.5 | -78.1 | -98.7 | 0 | 0 | 0 | 111.3 | T6 S7 K8 D9 R13 H14 F15 Q89 A168 Y204 F211 | T6-Y11 HydrophobicContact CG2-CD2 4.14Å; T6-Y11 HydrophobicContact CG2-CE2 3.76Å; S7-Y11 PolarHBondContact O-N 2.99Å; K8-Y11 VanDerWaalsContact O-CB 3.3Å; K8-Y11 WeakPolarHBondContact O-CB 3.27Å; K8-Y11 PolarHBondContact O-N 2.96Å; D9-Y11 VanDerWaalsContact C-N 3.31Å; Y11-R13 PolarHBondContact O-N 3.47Å; Y11-H14 PolarHBondContact O-N 2.91Å; Y11-F15 HydrophobicContact CD1-CB 4.32Å; Y11-F15 AromaticContact CD1-CD2 3.62Å; Y11-F15 HydrophobicContact CD1-CD2 3.62Å; Y11-F15 HydrophobicContact CD1-CE2 4.34Å; Y11-F15 HydrophobicContact CD1-CG 4.3Å; Y11-F15 AromaticContact CE1-CD2 3.82Å; Y11-F15 HydrophobicContact CE1-CD2 3.82Å; Y11-F15 HydrophobicContact CE1-CE2 4.21Å; Y11-F15 WeakPolarHBondContact O-CB 3.33Å; Y11-F15 PolarHBondContact O-N 2.88Å; Y11-Q89 PolarHBondContact O-NE2 3.38Å; Y11-A168 WeakPolarHBondContact OH-CB 3.26Å; Y11-Y204 WeakPolarHBondContact CE1-OH 3.44Å; Y11-Y204 PolarHBondContact OH-OH 3.33Å; Y11-F211 HydrophobicContact CD1-CD1 4.23Å; Y11-F211 HydrophobicContact CD1-CE1 4.08Å; Y11-F211 HydrophobicContact CD2-CD1 4.35Å; Y11-F211 HydrophobicContact CD2-CE1 4.41Å; Y11-F211 AromaticContact CE1-CD1 3.78Å; Y11-F211 HydrophobicContact CE1-CD1 3.78Å; Y11-F211 HydrophobicContact CE1-CE1 4.09Å; Y11-F211 AromaticContact CE2-CD1 3.91Å; Y11-F211 HydrophobicContact CE2-CD1 3.91Å; Y11-F211 HydrophobicContact CE2-CE1 4.42Å; Y11-F211 HydrophobicContact CG-CD1 4.47Å; Y11-F211 HydrophobicContact CG-CE1 4.22Å; Y11-F211 AromaticContact CZ-CD1 3.57Å |
| 12 | L | 96.8 | Very high | 92.4 | Very high | 54 Ų | 54 | 66.2 Ų | 66.2 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.3 | -35 | 179.3 | -58.9 | 179.7 | 0 | 0 | 0 | 112.7 | K8 D9 Y86 Q89 | K8-L12 PolarHBondContact O-N 3.08Å; D9-L12 PolarHBondContact O-N 3.01Å; L12-Y86 HydrophobicContact CD1-CE1 4.01Å; L12-Y86 HydrophobicContact CD2-CD1 3.97Å; L12-Y86 HydrophobicContact CD2-CE1 3.66Å; L12-Y86 HydrophobicContact CG-CD1 4.41Å; L12-Y86 HydrophobicContact CG-CE1 3.7Å; L12-Q89 PolarHBondContact O-NE2 2.97Å; L12-Q89 VanDerWaalsContact O-NE2 3.1Å |
| 13 | R | 96.8 | Very high | 94.7 | Very high | 191 Ų | 191 | 60.5 Ų | 60.5 | 72% | 0.721 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -92.4 | -31.2 | -175.2 | -65.9 | 178 | -167.5 | 178.2 | 6.3 | 114.7 | D9 T10 Y11 | D9-R13 WeakPolarHBondContact O-CG 3.44Å; D9-R13 PolarHBondContact O-N 3.36Å; D9-R13 VanDerWaalsContact O-N 3.15Å; T10-R13 PolarHBondContact O-N 2.89Å; Y11-R13 PolarHBondContact O-N 3.47Å |
| 14 | H | 97.4 | Very high | 96.3 | Very high | 94 Ų | 94 | 55.9 Ų | 55.9 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -126.7 | -10.2 | -164.8 | -58.4 | -77.2 | 0 | 0 | 0 | 114.4 | T10 Y11 N16 Q209 F211 | T10-H14 HydrophobicContact CG2-CB 4.33Å; T10-H14 WeakPolarHBondContact O-CB 3.32Å; T10-H14 PolarHBondContact O-CD2 2.69Å; T10-H14 PolarHBondContact O-N 3.42Å; Y11-H14 PolarHBondContact O-N 2.91Å; H14-N16 PolarHBondContact O-N 3.06Å; H14-Q209 HydrophobicContact CB-CG 4.04Å; H14-F211 HydrophobicContact CB-CZ 4.44Å |
| 15 | F | 98.1 | Very high | 96.8 | Very high | 12 Ų | 12 | 53.2 Ų | 53.2 | 5% | 0.053 | 25% | 0.251 | C | S | . | . | trans | -75.2 | 109.6 | 174.4 | -165.4 | -75.5 | 0 | 0 | 0 | 109.1 | Y11 P17 Y20 P66 Q89 N90 I206 F211 | Y11-F15 HydrophobicContact CD1-CB 4.32Å; Y11-F15 AromaticContact CD1-CD2 3.62Å; Y11-F15 HydrophobicContact CD1-CD2 3.62Å; Y11-F15 HydrophobicContact CD1-CE2 4.34Å; Y11-F15 HydrophobicContact CD1-CG 4.3Å; Y11-F15 AromaticContact CE1-CD2 3.82Å; Y11-F15 HydrophobicContact CE1-CD2 3.82Å; Y11-F15 HydrophobicContact CE1-CE2 4.21Å; Y11-F15 WeakPolarHBondContact O-CB 3.33Å; Y11-F15 PolarHBondContact O-N 2.88Å; F15-P17 WeakPolarHBondContact O-CD 3.23Å; F15-Y20 HydrophobicContact CE1-CD1 4.22Å; F15-Y20 HydrophobicContact CE1-CG 4.1Å; F15-Y20 AromaticContact CZ-CD1 3.8Å; F15-Y20 HydrophobicContact CZ-CD1 3.8Å; F15-Y20 AromaticContact CZ-CD2 3.95Å; F15-Y20 HydrophobicContact CZ-CD2 3.95Å; F15-Y20 HydrophobicContact CZ-CE1 4.2Å; F15-Y20 HydrophobicContact CZ-CE2 4.37Å; F15-Y20 AromaticContact CZ-CG 3.64Å; F15-Y20 HydrophobicContact CZ-CG 3.64Å; F15-P66 HydrophobicContact CE1-CG 4.48Å; F15-Q89 WeakPolarHBondContact O-CG 3.37Å; F15-Q89 PolarHBondContact O-NE2 3.34Å; F15-N90 WeakPolarHBondContact CD1-OD1 3.21Å; F15-N90 WeakPolarHBondContact CE1-OD1 3.49Å; F15-I206 HydrophobicContact CD1-CD1 4.4Å; F15-I206 HydrophobicContact CD2-CD1 3.39Å; F15-I206 HydrophobicContact CE1-CD1 4.21Å; F15-I206 HydrophobicContact CE2-CD1 3.2Å; F15-I206 HydrophobicContact CG-CD1 4.02Å; F15-I206 HydrophobicContact CZ-CD1 3.64Å; F15-F211 HydrophobicContact CB-CE1 4.3Å; F15-F211 HydrophobicContact CB-CZ 4.05Å; F15-F211 HydrophobicContact CD2-CE1 4.12Å; F15-F211 HydrophobicContact CD2-CZ 4.05Å; F15-F211 HydrophobicContact CG-CZ 4.44Å | ||
| 16 | N | 98.3 | Very high | 96.4 | Very high | 62 Ų | 62 | 56.8 Ų | 56.8 | 33% | 0.332 | 27% | 0.268 | S | S | . | . | trans | -93.2 | 112.1 | 172.2 | -176.3 | -19.8 | 0 | 0 | 0 | 109.5 | H14 R18 D19 Y20 | H14-N16 PolarHBondContact O-N 3.06Å; N16-R18 VanDerWaalsContact C-N 3.29Å; N16-R18 PolarHBondContact O-N 3.04Å; N16-R18 PolarHBondContact OD1-N 3.35Å; N16-D19 HydrophobicContact CB-CB 4.05Å; N16-D19 WeakPolarHBondContact CB-OD2 3.35Å; N16-D19 PolarHBondContact ND2-OD1 3.41Å; N16-D19 PolarHBondContact ND2-OD2 3.32Å; N16-D19 PolarHBondContact OD1-N 2.68Å; N16-Y20 PolarHBondContact O-N 2.97Å; N16-Y20 VanDerWaalsContact O-N 3.16Å | ||
| 17 | P | 98.1 | Very high | 95.9 | Very high | 13 Ų | 13 | 57.2 Ų | 57.2 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59 | -39.4 | -179.5 | -23 | 33 | 0 | 0 | 0 | 112.8 | F15 Y20 L21 P66 Q89 N90 E93 | F15-P17 WeakPolarHBondContact O-CD 3.23Å; P17-Y20 WeakPolarHBondContact O-CB 3.17Å; P17-Y20 PolarHBondContact O-N 3.05Å; P17-L21 VanDerWaalsContact O-CG 3.29Å; P17-L21 WeakPolarHBondContact O-CG 3.28Å; P17-L21 PolarHBondContact O-N 3.22Å; P17-P66 HydrophobicContact CB-CB 3.79Å; P17-P66 HydrophobicContact CB-CG 3.98Å; P17-Q89 HydrophobicContact CG-CB 3.87Å; P17-Q89 HydrophobicContact CG-CG 3.68Å; P17-Q89 WeakPolarHBondContact CG-O 3.5Å; P17-N90 WeakPolarHBondContact CG-OD1 3.43Å; P17-E93 HydrophobicContact CB-CB 3.84Å; P17-E93 HydrophobicContact CB-CG 3.95Å; P17-E93 HydrophobicContact CG-CB 4.39Å |
| 18 | R | 96.9 | Very high | 94.7 | Very high | 84 Ų | 84 | 56.8 Ų | 56.8 | 32% | 0.317 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -72.4 | -44.3 | -173.5 | -168.5 | 58.8 | 172.1 | -145.5 | -1.4 | 111.8 | N16 Y20 L21 E22 E93 E103 | N16-R18 VanDerWaalsContact C-N 3.29Å; N16-R18 PolarHBondContact O-N 3.04Å; N16-R18 PolarHBondContact OD1-N 3.35Å; R18-Y20 PolarHBondContact O-N 3.39Å; R18-L21 PolarHBondContact O-N 2.72Å; R18-E22 HydrophobicContact CG-CG 4.46Å; R18-E22 WeakPolarHBondContact CG-OE1 3.33Å; R18-E22 IonicContact NE-OE1 2.88Å; R18-E22 PolarHBondContact NE-OE1 2.99Å; R18-E22 WeakPolarHBondContact O-CB 3.49Å; R18-E22 WeakPolarHBondContact O-CG 3.21Å; R18-E22 PolarHBondContact O-N 3.41Å; R18-E93 IonicContact NH1-OE1 3.03Å; R18-E93 PolarHBondContact NH1-OE1 2.9Å; R18-E103 PolarHBondContact NH1-O 3.36Å |
| 19 | D | 97.1 | Very high | 92.9 | Very high | 58 Ų | 58 | 59.7 Ų | 59.7 | 31% | 0.31 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.8 | -34.7 | 174.3 | -65.5 | -16.7 | 0 | 0 | 0 | 111.3 | N16 K23 I206 | N16-D19 HydrophobicContact CB-CB 4.05Å; N16-D19 WeakPolarHBondContact CB-OD2 3.35Å; N16-D19 PolarHBondContact ND2-OD1 3.41Å; N16-D19 PolarHBondContact ND2-OD2 3.32Å; N16-D19 PolarHBondContact OD1-N 2.68Å; D19-K23 VanDerWaalsContact O-CB 3.32Å; D19-K23 WeakPolarHBondContact O-CB 3.43Å; D19-K23 VanDerWaalsContact O-CG 3.23Å; D19-K23 WeakPolarHBondContact O-CG 3.2Å; D19-K23 PolarHBondContact O-N 2.88Å; D19-I206 HydrophobicContact CB-CG2 3.68Å |
| 20 | Y | 98.3 | Very high | 91.6 | Very high | 21 Ų | 21 | 65.4 Ų | 65.4 | 8% | 0.082 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.6 | -49.7 | 175.1 | -177.2 | -112.4 | 0 | 0 | 0 | 111.3 | F15 N16 P17 R18 E22 K23 Y24 Y25 P66 T67 Y204 I206 | F15-Y20 HydrophobicContact CE1-CD1 4.22Å; F15-Y20 HydrophobicContact CE1-CG 4.1Å; F15-Y20 AromaticContact CZ-CD1 3.8Å; F15-Y20 HydrophobicContact CZ-CD1 3.8Å; F15-Y20 AromaticContact CZ-CD2 3.95Å; F15-Y20 HydrophobicContact CZ-CD2 3.95Å; F15-Y20 HydrophobicContact CZ-CE1 4.2Å; F15-Y20 HydrophobicContact CZ-CE2 4.37Å; F15-Y20 AromaticContact CZ-CG 3.64Å; F15-Y20 HydrophobicContact CZ-CG 3.64Å; N16-Y20 PolarHBondContact O-N 2.97Å; N16-Y20 VanDerWaalsContact O-N 3.16Å; P17-Y20 WeakPolarHBondContact O-CB 3.17Å; P17-Y20 PolarHBondContact O-N 3.05Å; R18-Y20 PolarHBondContact O-N 3.39Å; Y20-E22 PolarHBondContact O-N 2.97Å; Y20-K23 PolarHBondContact O-N 3.02Å; Y20-Y24 AromaticContact CD2-CD2 3.41Å; Y20-Y24 HydrophobicContact CD2-CD2 3.41Å; Y20-Y24 VanDerWaalsContact CD2-CD2 3.41Å; Y20-Y24 AromaticContact CD2-CE2 3.6Å; Y20-Y24 HydrophobicContact CD2-CE2 3.6Å; Y20-Y24 HydrophobicContact CD2-CG 4.34Å; Y20-Y24 AromaticContact CE2-CD2 3.55Å; Y20-Y24 HydrophobicContact CE2-CD2 3.55Å; Y20-Y24 AromaticContact CE2-CE2 3.73Å; Y20-Y24 HydrophobicContact CE2-CE2 3.73Å; Y20-Y24 HydrophobicContact CE2-CG 4.11Å; Y20-Y24 HydrophobicContact CG-CD2 4.25Å; Y20-Y24 WeakPolarHBondContact O-CD2 3.42Å; Y20-Y24 PolarHBondContact O-N 3.24Å; Y20-Y25 AromaticContact CD1-CE2 3.96Å; Y20-Y25 HydrophobicContact CD1-CE2 3.96Å; Y20-Y25 HydrophobicContact CE1-CD2 4.36Å; Y20-Y25 AromaticContact CE1-CE2 3.42Å; Y20-Y25 HydrophobicContact CE1-CE2 3.42Å; Y20-Y25 VanDerWaalsContact CE1-CE2 3.42Å; Y20-Y25 HydrophobicContact CE2-CE2 4.47Å; Y20-Y25 AromaticContact CZ-CE2 3.7Å; Y20-Y25 PolarHBondContact OH-OH 2.97Å; Y20-Y25 VanDerWaalsContact OH-OH 3.1Å; Y20-P66 HydrophobicContact CD1-CG 3.73Å; Y20-P66 HydrophobicContact CE1-CG 4.39Å; Y20-T67 HydrophobicContact CD1-CG2 4.43Å; Y20-T67 HydrophobicContact CE1-CG2 3.91Å; Y20-Y204 HydrophobicContact CE2-CE2 4.37Å; Y20-I206 HydrophobicContact CD2-CD1 3.8Å; Y20-I206 HydrophobicContact CD2-CG1 3.98Å; Y20-I206 HydrophobicContact CG-CD1 4.31Å |
| 21 | L | 97.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 178.4 | -68.9 | 179.8 | 0 | 0 | 0 | 112.8 | P17 R18 K23 Y25 Q26 P66 T67 E93 F105 W107 | P17-L21 VanDerWaalsContact O-CG 3.29Å; P17-L21 WeakPolarHBondContact O-CG 3.28Å; P17-L21 PolarHBondContact O-N 3.22Å; R18-L21 PolarHBondContact O-N 2.72Å; L21-K23 VanDerWaalsContact C-N 3.31Å; L21-K23 PolarHBondContact O-N 2.92Å; L21-Y25 HydrophobicContact CD2-CD2 3.97Å; L21-Y25 HydrophobicContact CD2-CG 4.44Å; L21-Y25 CarbonylContact O-C 3.6Å; L21-Y25 WeakPolarHBondContact O-CA 2.89Å; L21-Y25 WeakPolarHBondContact O-CB 3.48Å; L21-Y25 PolarHBondContact O-N 2.8Å; L21-Q26 PolarHBondContact O-N 2.75Å; L21-P66 HydrophobicContact CD1-CB 4.15Å; L21-P66 HydrophobicContact CD1-CG 4.34Å; L21-P66 HydrophobicContact CD2-CB 4.37Å; L21-P66 HydrophobicContact CD2-CG 3.92Å; L21-P66 HydrophobicContact CG-CB 4.27Å; L21-P66 HydrophobicContact CG-CG 3.91Å; L21-T67 HydrophobicContact CD2-CG2 3.74Å; L21-E93 HydrophobicContact CD1-CG 3.91Å; L21-F105 HydrophobicContact CB-CD2 3.63Å; L21-F105 HydrophobicContact CB-CE1 4.49Å; L21-F105 HydrophobicContact CB-CE2 3.61Å; L21-F105 HydrophobicContact CB-CG 4.09Å; L21-F105 HydrophobicContact CB-CZ 4.05Å; L21-F105 HydrophobicContact CD1-CB 3.6Å; L21-F105 HydrophobicContact CD1-CD1 4.3Å; L21-F105 HydrophobicContact CD1-CD2 3.92Å; L21-F105 HydrophobicContact CD1-CG 3.69Å; L21-F105 HydrophobicContact CG-CD2 4.38Å; L21-F105 HydrophobicContact CG-CG 4.4Å; L21-W107 HydrophobicContact CD2-CH2 3.86Å; L21-W107 HydrophobicContact CD2-CZ2 3.46Å; L21-W107 VanDerWaalsContact CD2-CZ2 3.46Å |
| 22 | E | 94.3 | Very high | 90.3 | Very high | 87 Ų | 87 | 71.7 Ų | 71.7 | 41% | 0.407 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.3 | -33.1 | -178.4 | -71.6 | 176.9 | -175.8 | 0 | 0 | 112.7 | R18 Y20 Q26 F105 | R18-E22 HydrophobicContact CG-CG 4.46Å; R18-E22 WeakPolarHBondContact CG-OE1 3.33Å; R18-E22 IonicContact NE-OE1 2.88Å; R18-E22 PolarHBondContact NE-OE1 2.99Å; R18-E22 WeakPolarHBondContact O-CB 3.49Å; R18-E22 WeakPolarHBondContact O-CG 3.21Å; R18-E22 PolarHBondContact O-N 3.41Å; Y20-E22 PolarHBondContact O-N 2.97Å; E22-Q26 WeakPolarHBondContact O-CB 3.35Å; E22-F105 HydrophobicContact CG-CE2 4.35Å |
| 23 | K | 92.4 | Very high | 90.2 | Very high | 79 Ų | 79 | 70.4 Ų | 70.4 | 34% | 0.343 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -82 | -40.7 | -179.6 | -73.6 | -174.4 | 171.8 | -153.7 | 0 | 114 | D19 Y20 L21 G207 M246 | D19-K23 VanDerWaalsContact O-CB 3.32Å; D19-K23 WeakPolarHBondContact O-CB 3.43Å; D19-K23 VanDerWaalsContact O-CG 3.23Å; D19-K23 WeakPolarHBondContact O-CG 3.2Å; D19-K23 PolarHBondContact O-N 2.88Å; Y20-K23 PolarHBondContact O-N 3.02Å; L21-K23 VanDerWaalsContact C-N 3.31Å; L21-K23 PolarHBondContact O-N 2.92Å; K23-G207 VanDerWaalsContact CE-N 3.33Å; K23-G207 VanDerWaalsContact NZ-C 3.3Å; K23-G207 VanDerWaalsContact NZ-N 3.12Å; K23-G207 PolarHBondContact NZ-O 2.98Å; K23-M246 HydrophobicContact CB-CE 3.59Å; K23-M246 HydrophobicContact CD-CE 3.85Å; K23-M246 HydrophobicContact CD-SD 4.07Å; K23-M246 HydrophobicContact CG-CE 4.25Å |
| 24 | Y | 96.1 | Very high | 90.1 | Very high | 10 Ų | 10 | 62 Ų | 62 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -100.9 | -26.5 | -171.7 | -69.7 | -88.1 | 0 | 0 | 0 | 113.6 | Y20 E34 M205 Y242 M246 | Y20-Y24 AromaticContact CD2-CD2 3.41Å; Y20-Y24 HydrophobicContact CD2-CD2 3.41Å; Y20-Y24 VanDerWaalsContact CD2-CD2 3.41Å; Y20-Y24 AromaticContact CD2-CE2 3.6Å; Y20-Y24 HydrophobicContact CD2-CE2 3.6Å; Y20-Y24 HydrophobicContact CD2-CG 4.34Å; Y20-Y24 AromaticContact CE2-CD2 3.55Å; Y20-Y24 HydrophobicContact CE2-CD2 3.55Å; Y20-Y24 AromaticContact CE2-CE2 3.73Å; Y20-Y24 HydrophobicContact CE2-CE2 3.73Å; Y20-Y24 HydrophobicContact CE2-CG 4.11Å; Y20-Y24 HydrophobicContact CG-CD2 4.25Å; Y20-Y24 WeakPolarHBondContact O-CD2 3.42Å; Y20-Y24 PolarHBondContact O-N 3.24Å; Y24-E34 HydrophobicContact CD1-CG 4.43Å; Y24-M205 VanDerWaalsContact CE2-O 3.24Å; Y24-M205 WeakPolarHBondContact CE2-O 3.45Å; Y24-M205 PolarHBondContact OH-N 3.42Å; Y24-M205 PolarHBondContact OH-O 2.77Å; Y24-Y242 HydrophobicContact CD1-CD1 4.22Å; Y24-Y242 AromaticContact CD1-CE1 3.84Å; Y24-Y242 HydrophobicContact CD1-CE1 3.84Å; Y24-Y242 HydrophobicContact CE1-CD1 4.24Å; Y24-Y242 HydrophobicContact CE1-CE1 4.17Å; Y24-M246 HydrophobicContact CD1-CE 4.25Å; Y24-M246 HydrophobicContact CD2-CE 3.94Å; Y24-M246 HydrophobicContact CE1-CE 3.73Å; Y24-M246 HydrophobicContact CE2-CE 3.37Å; Y24-M246 HydrophobicContact CG-CE 4.35Å; Y24-M246 WeakPolarHBondContact OH-CE 3.1Å |
| 25 | Y | 95.9 | Very high | 90 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 3% | 0.027 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -123.5 | 5.9 | -167.7 | -56.8 | -82.1 | 0 | 0 | 0 | 113.9 | Y20 L21 F27 L38 T67 Y69 W107 | Y20-Y25 AromaticContact CD1-CE2 3.96Å; Y20-Y25 HydrophobicContact CD1-CE2 3.96Å; Y20-Y25 HydrophobicContact CE1-CD2 4.36Å; Y20-Y25 AromaticContact CE1-CE2 3.42Å; Y20-Y25 HydrophobicContact CE1-CE2 3.42Å; Y20-Y25 VanDerWaalsContact CE1-CE2 3.42Å; Y20-Y25 HydrophobicContact CE2-CE2 4.47Å; Y20-Y25 AromaticContact CZ-CE2 3.7Å; Y20-Y25 PolarHBondContact OH-OH 2.97Å; Y20-Y25 VanDerWaalsContact OH-OH 3.1Å; L21-Y25 HydrophobicContact CD2-CD2 3.97Å; L21-Y25 HydrophobicContact CD2-CG 4.44Å; L21-Y25 CarbonylContact O-C 3.6Å; L21-Y25 WeakPolarHBondContact O-CA 2.89Å; L21-Y25 WeakPolarHBondContact O-CB 3.48Å; L21-Y25 PolarHBondContact O-N 2.8Å; Y25-F27 PolarHBondContact O-N 3.43Å; Y25-L38 HydrophobicContact CD1-CD1 3.98Å; Y25-L38 HydrophobicContact CD1-CD2 3.88Å; Y25-L38 HydrophobicContact CE1-CD1 4.11Å; Y25-T67 HydrophobicContact CD2-CG2 3.99Å; Y25-T67 HydrophobicContact CE1-CG2 4.23Å; Y25-T67 HydrophobicContact CE2-CG2 3.56Å; Y25-T67 HydrophobicContact CG-CG2 4.48Å; Y25-Y69 AromaticContact CD1-CD1 3.93Å; Y25-Y69 HydrophobicContact CD1-CD1 3.93Å; Y25-Y69 HydrophobicContact CD1-CE1 4.29Å; Y25-Y69 HydrophobicContact CD1-CG 4.48Å; Y25-Y69 AromaticContact CE1-CD1 3.41Å; Y25-Y69 HydrophobicContact CE1-CD1 3.41Å; Y25-Y69 VanDerWaalsContact CE1-CD1 3.41Å; Y25-Y69 AromaticContact CE1-CE1 3.33Å; Y25-Y69 HydrophobicContact CE1-CE1 3.33Å; Y25-Y69 HydrophobicContact CE1-CG 4.21Å; Y25-Y69 AromaticContact CZ-CE1 3.84Å; Y25-W107 AromaticContact CD1-CH2 3.91Å; Y25-W107 HydrophobicContact CD1-CH2 3.91Å; Y25-W107 HydrophobicContact CD1-CZ3 4.04Å; Y25-W107 HydrophobicContact CD2-CH2 4.46Å; Y25-W107 AromaticContact CG-CH2 3.77Å; Y25-W107 HydrophobicContact CG-CH2 3.77Å; Y25-W107 HydrophobicContact CG-CZ3 4.14Å |
| 26 | Q | 88.4 | Confident | 89.9 | Confident | 141 Ų | 141 | 60.4 Ų | 60.4 | 66% | 0.659 | 31% | 0.307 | S | S | * | . | trans | -67.8 | 105.1 | 167.6 | -169.3 | 170.2 | 44.8 | 0 | 0 | 109.5 | L21 E22 | L21-Q26 PolarHBondContact O-N 2.75Å; E22-Q26 WeakPolarHBondContact O-CB 3.35Å | ||
| 27 | F | 86.3 | Confident | 89.8 | Confident | 27 Ų | 27 | 57.5 Ų | 57.5 | 12% | 0.118 | 29% | 0.292 | C | S | . | . | trans | -111.6 | 133.3 | -170.9 | -162.7 | -101.8 | 0 | 0 | 0 | 110.6 | Y25 L38 K39 P109 V110 Y113 | Y25-F27 PolarHBondContact O-N 3.43Å; F27-L38 HydrophobicContact CB-CD2 4.45Å; F27-L38 HydrophobicContact CD2-CB 4.37Å; F27-L38 HydrophobicContact CD2-CD2 3.73Å; F27-L38 HydrophobicContact CD2-CG 4.19Å; F27-L38 HydrophobicContact CE2-CB 4.31Å; F27-L38 HydrophobicContact CE2-CD2 4.29Å; F27-L38 HydrophobicContact CE2-CG 4.26Å; F27-L38 HydrophobicContact CG-CD2 4.39Å; F27-K39 HydrophobicContact CE2-CG 3.66Å; F27-K39 HydrophobicContact CZ-CD 4.3Å; F27-K39 HydrophobicContact CZ-CG 3.6Å; F27-P109 HydrophobicContact CB-CB 4.17Å; F27-P109 HydrophobicContact CD1-CB 4.01Å; F27-P109 WeakPolarHBondContact O-CB 3.46Å; F27-P109 WeakPolarHBondContact O-CG 3.46Å; F27-V110 HydrophobicContact CB-CG2 3.51Å; F27-V110 HydrophobicContact CD1-CG2 4.2Å; F27-V110 HydrophobicContact CD2-CG2 4.44Å; F27-V110 HydrophobicContact CG-CG2 3.83Å; F27-Y113 AromaticContact CE1-CD2 3.9Å; F27-Y113 HydrophobicContact CE1-CD2 3.9Å; F27-Y113 AromaticContact CE1-CG 3.85Å; F27-Y113 HydrophobicContact CE1-CG 3.85Å; F27-Y113 HydrophobicContact CZ-CD1 4.24Å; F27-Y113 AromaticContact CZ-CD2 3.85Å; F27-Y113 HydrophobicContact CZ-CD2 3.85Å; F27-Y113 HydrophobicContact CZ-CE2 4.33Å; F27-Y113 AromaticContact CZ-CG 3.8Å; F27-Y113 HydrophobicContact CZ-CG 3.8Å | ||
| 28 | G | 72.3 | Confident | 89.8 | Confident | 49 Ų | 49 | 57 Ų | 57 | 51% | 0.505 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 163 | -145.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R30 | G28-R30 VanDerWaalsContact C-N 3.29Å; G28-R30 PolarHBondContact O-N 2.84Å |
| 29 | S | 59.8 | Low | 89.8 | Confident | 118 Ų | 118 | 55.8 Ų | 55.8 | 83% | 0.825 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -71.9 | -13.8 | -170 | 58.5 | 0 | 0 | 0 | 0 | 115.4 | H31 | S29-H31 PolarHBondContact O-N 2.9Š|
| 30 | R | 67.7 | Low | 89.9 | Confident | 207 Ų | 207 | 56 Ų | 56 | 78% | 0.781 | 28% | 0.284 | S | S | * | . | trans | -84.4 | 113.8 | 174.1 | -75.6 | -174.5 | 170.9 | -173 | -2 | 109.9 | G28 S32 S35 | G28-R30 VanDerWaalsContact C-N 3.29Å; G28-R30 PolarHBondContact O-N 2.84Å; R30-S32 PolarHBondContact O-N 3.2Å; R30-S35 PolarHBondContact O-OG 2.72Å; R30-S35 VanDerWaalsContact O-OG 3.04Å | ||
| 31 | H | 77.4 | Confident | 89.9 | Confident | 153 Ų | 153 | 55.1 Ų | 55.1 | 71% | 0.708 | 28% | 0.281 | S | S | * | . | trans | -72.3 | 78.7 | 167.9 | -65.5 | -79 | 0 | 0 | 0 | 109.7 | S29 | S29-H31 PolarHBondContact O-N 2.9Š| ||
| 32 | S | 91.1 | Very high | 89.9 | Confident | 38 Ų | 38 | 55.2 Ų | 55.2 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | trans | -91.1 | 164.3 | 170.8 | 69.1 | 0 | 0 | 0 | 0 | 111 | R30 E34 S35 Q36 | R30-S32 PolarHBondContact O-N 3.2Å; S32-E34 VanDerWaalsContact C-N 3.26Å; S32-E34 WeakPolarHBondContact CB-OE2 3.25Å; S32-E34 PolarHBondContact O-N 2.92Å; S32-E34 PolarHBondContact OG-OE2 3.33Å; S32-S35 PolarHBondContact N-OG 3.15Å; S32-S35 PolarHBondContact O-N 2.88Å; S32-S35 PolarHBondContact O-OG 2.7Å; S32-S35 PolarHBondContact OG-N 3.08Å; S32-S35 VanDerWaalsContact OG-N 3.08Å; S32-S35 PolarHBondContact OG-OG 3.06Å; S32-Q36 WeakPolarHBondContact O-CG 3.41Å; S32-Q36 PolarHBondContact O-N 3.4Å; S32-Q36 VanDerWaalsContact O-N 3.12Å | ||
| 33 | A | 94.1 | Very high | 90.2 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 22% | 0.223 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | Q36 I37 S241 | A33-Q36 PolarHBondContact O-N 3.12Å; A33-I37 WeakPolarHBondContact O-CG1 3.34Å; A33-I37 PolarHBondContact O-N 3.01Å; A33-S241 WeakPolarHBondContact CB-O 3.13Å |
| 34 | E | 95.3 | Very high | 90.5 | Very high | 14 Ų | 14 | 51 Ų | 51 | 7% | 0.065 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 177.9 | -61.5 | 62.7 | -139.4 | 0 | 0 | 111 | Y24 S32 Q36 I37 L38 Y242 S243 M246 | Y24-E34 HydrophobicContact CD1-CG 4.43Å; S32-E34 VanDerWaalsContact C-N 3.26Å; S32-E34 WeakPolarHBondContact CB-OE2 3.25Å; S32-E34 PolarHBondContact O-N 2.92Å; S32-E34 PolarHBondContact OG-OE2 3.33Å; E34-Q36 VanDerWaalsContact C-N 3.32Å; E34-Q36 PolarHBondContact O-N 2.87Å; E34-I37 PolarHBondContact O-N 2.94Å; E34-L38 WeakPolarHBondContact O-CB 3.46Å; E34-L38 PolarHBondContact O-N 2.79Å; E34-Y242 HydrophobicContact CB-CD1 4.41Å; E34-Y242 HydrophobicContact CG-CD1 3.89Å; E34-Y242 HydrophobicContact CG-CE1 4.39Å; E34-S243 WeakPolarHBondContact OE1-CB 3.4Å; E34-S243 PolarHBondContact OE1-N 3.17Å; E34-S243 PolarHBondContact OE1-OG 2.93Å; E34-S243 PolarHBondContact OE2-OG 2.59Å; E34-M246 WeakPolarHBondContact OE1-CG 3.18Å |
| 35 | S | 94.5 | Very high | 90.6 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70 | -30 | 179.3 | 70.5 | 0 | 0 | 0 | 0 | 112.5 | R30 S32 K39 | R30-S35 PolarHBondContact O-OG 2.72Å; R30-S35 VanDerWaalsContact O-OG 3.04Å; S32-S35 PolarHBondContact N-OG 3.15Å; S32-S35 PolarHBondContact O-N 2.88Å; S32-S35 PolarHBondContact O-OG 2.7Å; S32-S35 PolarHBondContact OG-N 3.08Å; S32-S35 VanDerWaalsContact OG-N 3.08Å; S32-S35 PolarHBondContact OG-OG 3.06Å; S35-K39 WeakPolarHBondContact O-CG 3.3Å; S35-K39 PolarHBondContact O-N 3.43Å; S35-K39 VanDerWaalsContact O-N 3.14Å |
| 36 | Q | 95.4 | Very high | 90.7 | Very high | 69 Ų | 69 | 52.1 Ų | 52.1 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.2 | -43.3 | 171.1 | -70.8 | -179.3 | 23.3 | 0 | 0 | 111.9 | S32 A33 E34 L38 K39 H40 Q240 | S32-Q36 WeakPolarHBondContact O-CG 3.41Å; S32-Q36 PolarHBondContact O-N 3.4Å; S32-Q36 VanDerWaalsContact O-N 3.12Å; A33-Q36 PolarHBondContact O-N 3.12Å; E34-Q36 VanDerWaalsContact C-N 3.32Å; E34-Q36 PolarHBondContact O-N 2.87Å; Q36-L38 VanDerWaalsContact C-N 3.34Å; Q36-K39 WeakPolarHBondContact O-CB 3.31Å; Q36-K39 PolarHBondContact O-N 2.87Å; Q36-H40 PolarHBondContact O-N 3.43Å; Q36-H40 PolarHBondContact O-ND1 3.11Å; Q36-Q240 VanDerWaalsContact OE1-NE2 3.07Å |
| 37 | I | 97.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 175.1 | -74.7 | 165.8 | 0 | 0 | 0 | 110.4 | A33 E34 K39 H40 L41 Q240 S241 Y242 L252 | A33-I37 WeakPolarHBondContact O-CG1 3.34Å; A33-I37 PolarHBondContact O-N 3.01Å; E34-I37 PolarHBondContact O-N 2.94Å; I37-K39 VanDerWaalsContact C-N 3.26Å; I37-K39 PolarHBondContact O-N 3.05Å; I37-H40 PolarHBondContact O-N 3.32Å; I37-H40 VanDerWaalsContact O-N 3.12Å; I37-L41 HydrophobicContact CG2-CD1 3.83Å; I37-L41 HydrophobicContact CG2-CG 4.18Å; I37-L41 WeakPolarHBondContact O-CG 3.37Å; I37-L41 PolarHBondContact O-N 2.92Å; I37-Q240 HydrophobicContact CD1-CB 4.37Å; I37-Q240 HydrophobicContact CG1-CB 3.69Å; I37-S241 VanDerWaalsContact CD1-C 3.46Å; I37-Y242 HydrophobicContact CB-CE1 4.1Å; I37-Y242 HydrophobicContact CD1-CD1 3.38Å; I37-Y242 HydrophobicContact CD1-CD2 3.94Å; I37-Y242 HydrophobicContact CD1-CE1 3.58Å; I37-Y242 HydrophobicContact CD1-CE2 4.09Å; I37-Y242 HydrophobicContact CD1-CG 3.58Å; I37-Y242 HydrophobicContact CG1-CE1 4.44Å; I37-Y242 HydrophobicContact CG2-CE1 3.89Å; I37-L252 HydrophobicContact CD1-CD1 3.88Å; I37-L252 HydrophobicContact CG1-CD1 3.93Å; I37-L252 HydrophobicContact CG2-CD1 3.86Å; I37-L252 HydrophobicContact CG2-CD2 3.85Å |
| 38 | L | 97.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58 | -39 | 178.5 | -174.7 | 54.6 | 0 | 0 | 0 | 111.9 | Y25 F27 E34 Q36 L41 L42 Y69 V110 | Y25-L38 HydrophobicContact CD1-CD1 3.98Å; Y25-L38 HydrophobicContact CD1-CD2 3.88Å; Y25-L38 HydrophobicContact CE1-CD1 4.11Å; F27-L38 HydrophobicContact CB-CD2 4.45Å; F27-L38 HydrophobicContact CD2-CB 4.37Å; F27-L38 HydrophobicContact CD2-CD2 3.73Å; F27-L38 HydrophobicContact CD2-CG 4.19Å; F27-L38 HydrophobicContact CE2-CB 4.31Å; F27-L38 HydrophobicContact CE2-CD2 4.29Å; F27-L38 HydrophobicContact CE2-CG 4.26Å; F27-L38 HydrophobicContact CG-CD2 4.39Å; E34-L38 WeakPolarHBondContact O-CB 3.46Å; E34-L38 PolarHBondContact O-N 2.79Å; Q36-L38 VanDerWaalsContact C-N 3.34Å; L38-L41 PolarHBondContact O-N 3.28Å; L38-L42 HydrophobicContact CD1-CD1 4.34Å; L38-L42 HydrophobicContact CD1-CG 4.2Å; L38-L42 HydrophobicContact CG-CD1 4.08Å; L38-L42 HydrophobicContact CG-CG 4.41Å; L38-L42 WeakPolarHBondContact O-CB 3.37Å; L38-L42 WeakPolarHBondContact O-CG 3.49Å; L38-L42 PolarHBondContact O-N 2.88Å; L38-Y69 HydrophobicContact CD1-CD1 4.4Å; L38-Y69 HydrophobicContact CD1-CD2 3.52Å; L38-Y69 HydrophobicContact CD1-CE2 3.98Å; L38-Y69 HydrophobicContact CD1-CG 3.76Å; L38-V110 HydrophobicContact CD2-CG2 3.89Å |
| 39 | K | 97.5 | Very high | 93 | Very high | 57 Ų | 57 | 44.9 Ų | 44.9 | 25% | 0.248 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.1 | -49.6 | 173.6 | -73.8 | 178.6 | -176.7 | -173.8 | 0 | 112.8 | F27 S35 Q36 I37 L41 L42 E43 Y113 | F27-K39 HydrophobicContact CE2-CG 3.66Å; F27-K39 HydrophobicContact CZ-CD 4.3Å; F27-K39 HydrophobicContact CZ-CG 3.6Å; S35-K39 WeakPolarHBondContact O-CG 3.3Å; S35-K39 PolarHBondContact O-N 3.43Å; S35-K39 VanDerWaalsContact O-N 3.14Å; Q36-K39 WeakPolarHBondContact O-CB 3.31Å; Q36-K39 PolarHBondContact O-N 2.87Å; I37-K39 VanDerWaalsContact C-N 3.26Å; I37-K39 PolarHBondContact O-N 3.05Å; K39-L41 VanDerWaalsContact C-N 3.31Å; K39-L41 PolarHBondContact O-N 3.28Å; K39-L42 PolarHBondContact O-N 3.37Å; K39-E43 WeakPolarHBondContact O-CB 3.43Å; K39-E43 VanDerWaalsContact O-CG 3.32Å; K39-E43 WeakPolarHBondContact O-CG 3.4Å; K39-E43 PolarHBondContact O-N 3.08Å; K39-Y113 HydrophobicContact CB-CE1 4.2Å; K39-Y113 HydrophobicContact CD-CE2 4.14Å; K39-Y113 HydrophobicContact CG-CE1 4.02Å; K39-Y113 HydrophobicContact CG-CE2 4.04Å |
| 40 | H | 98 | Very high | 94.8 | Very high | 64 Ų | 64 | 41.4 Ų | 41.4 | 30% | 0.296 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 179.9 | -67.7 | 85.6 | 0 | 0 | 0 | 111.6 | Q36 I37 E43 N44 I238 | Q36-H40 PolarHBondContact O-N 3.43Å; Q36-H40 PolarHBondContact O-ND1 3.11Å; I37-H40 PolarHBondContact O-N 3.32Å; I37-H40 VanDerWaalsContact O-N 3.12Å; H40-E43 PolarHBondContact O-N 3.18Å; H40-N44 WeakPolarHBondContact O-CB 3.26Å; H40-N44 VanDerWaalsContact O-CG 3.31Å; H40-N44 PolarHBondContact O-N 3.04Å; H40-I238 HydrophobicContact CB-CD1 3.98Å; H40-I238 HydrophobicContact CB-CG1 4.2Å; H40-I238 HydrophobicContact CB-CG2 3.67Å |
| 41 | L | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -46.7 | 174.3 | -67 | 172.3 | 0 | 0 | 0 | 111 | I37 L38 K39 N44 L45 Y69 L164 M196 I238 L252 | I37-L41 HydrophobicContact CG2-CD1 3.83Å; I37-L41 HydrophobicContact CG2-CG 4.18Å; I37-L41 WeakPolarHBondContact O-CG 3.37Å; I37-L41 PolarHBondContact O-N 2.92Å; L38-L41 PolarHBondContact O-N 3.28Å; K39-L41 VanDerWaalsContact C-N 3.31Å; K39-L41 PolarHBondContact O-N 3.28Å; L41-N44 PolarHBondContact O-N 3.45Å; L41-L45 WeakPolarHBondContact O-CB 3.48Å; L41-L45 WeakPolarHBondContact O-CD1 3.39Å; L41-L45 WeakPolarHBondContact O-CG 3.44Å; L41-L45 PolarHBondContact O-N 3Å; L41-Y69 HydrophobicContact CB-CE2 4.06Å; L41-Y69 HydrophobicContact CD1-CE2 4.14Å; L41-L164 HydrophobicContact CD1-CD1 4.49Å; L41-M196 HydrophobicContact CB-SD 4.48Å; L41-M196 HydrophobicContact CD2-CB 4.14Å; L41-M196 HydrophobicContact CD2-CG 4.46Å; L41-M196 HydrophobicContact CD2-SD 3.63Å; L41-I238 HydrophobicContact CD2-CD1 3.73Å; L41-I238 HydrophobicContact CG-CD1 4.3Å; L41-L252 HydrophobicContact CD2-CD2 4.42Å |
| 42 | L | 98.8 | Very high | 97 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.4 | -41.3 | 178.3 | -67.6 | 170.8 | 0 | 0 | 0 | 112.4 | L38 K39 L45 F46 Y69 V110 Y113 V114 L117 | L38-L42 HydrophobicContact CD1-CD1 4.34Å; L38-L42 HydrophobicContact CD1-CG 4.2Å; L38-L42 HydrophobicContact CG-CD1 4.08Å; L38-L42 HydrophobicContact CG-CG 4.41Å; L38-L42 WeakPolarHBondContact O-CB 3.37Å; L38-L42 WeakPolarHBondContact O-CG 3.49Å; L38-L42 PolarHBondContact O-N 2.88Å; K39-L42 PolarHBondContact O-N 3.37Å; L42-L45 PolarHBondContact O-N 3.39Å; L42-F46 VanDerWaalsContact O-CB 3.32Å; L42-F46 WeakPolarHBondContact O-CB 3.44Å; L42-F46 PolarHBondContact O-N 3.01Å; L42-Y69 HydrophobicContact CD2-CD2 3.9Å; L42-Y69 HydrophobicContact CD2-CG 4.49Å; L42-V110 HydrophobicContact CD1-CG1 3.9Å; L42-V110 HydrophobicContact CD2-CG1 4.14Å; L42-Y113 HydrophobicContact CB-CD1 4.15Å; L42-Y113 HydrophobicContact CB-CE1 4.26Å; L42-Y113 HydrophobicContact CD1-CD1 3.66Å; L42-Y113 HydrophobicContact CD1-CE1 4.33Å; L42-Y113 HydrophobicContact CD1-CG 4.44Å; L42-V114 HydrophobicContact CB-CG2 4.39Å; L42-V114 HydrophobicContact CD1-CG2 4.26Å; L42-V114 HydrophobicContact CD2-CG2 3.6Å; L42-V114 HydrophobicContact CG-CG2 4.28Å; L42-L117 HydrophobicContact CB-CD1 4.2Å |
| 43 | E | 98.6 | Very high | 97 | Very high | 69 Ų | 69 | 33.5 Ų | 33.5 | 32% | 0.322 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62 | -43.9 | 175.3 | -75.1 | 162.9 | -166.1 | 0 | 0 | 111.7 | K39 H40 F46 K47 Y113 L117 | K39-E43 WeakPolarHBondContact O-CB 3.43Å; K39-E43 VanDerWaalsContact O-CG 3.32Å; K39-E43 WeakPolarHBondContact O-CG 3.4Å; K39-E43 PolarHBondContact O-N 3.08Å; H40-E43 PolarHBondContact O-N 3.18Å; E43-F46 PolarHBondContact O-N 2.85Å; E43-K47 WeakPolarHBondContact O-CB 3.48Å; E43-K47 PolarHBondContact O-N 3.16Å; E43-Y113 HydrophobicContact CG-CE1 4.47Å; E43-Y113 PolarHBondContact OE1-OH 3.45Å; E43-L117 HydrophobicContact CG-CD1 4.07Å; E43-L117 HydrophobicContact CG-CD2 3.88Å |
| 44 | N | 98.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 32.4 Ų | 32.4 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.7 | -44.1 | 176.4 | -76.9 | 1.1 | 0 | 0 | 0 | 111.7 | H40 L41 F46 K47 I48 M196 W234 S254 | H40-N44 WeakPolarHBondContact O-CB 3.26Å; H40-N44 VanDerWaalsContact O-CG 3.31Å; H40-N44 PolarHBondContact O-N 3.04Å; L41-N44 PolarHBondContact O-N 3.45Å; N44-F46 VanDerWaalsContact C-N 3.35Å; N44-F46 PolarHBondContact O-N 3.23Å; N44-K47 PolarHBondContact O-N 2.89Å; N44-I48 WeakPolarHBondContact O-CB 3.47Å; N44-I48 WeakPolarHBondContact O-CD1 3.4Å; N44-I48 WeakPolarHBondContact O-CG1 3.48Å; N44-I48 PolarHBondContact O-N 2.62Å; N44-M196 HydrophobicContact CB-CE 3.84Å; N44-W234 HydrophobicContact CB-CH2 3.98Å; N44-S254 WeakPolarHBondContact ND2-CB 3.45Å; N44-S254 PolarHBondContact ND2-OG 3.16Å |
| 45 | L | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 176.3 | -71.2 | 159.9 | 0 | 0 | 0 | 111.8 | L41 L42 I48 F49 Y69 Q70 L161 M196 | L41-L45 WeakPolarHBondContact O-CB 3.48Å; L41-L45 WeakPolarHBondContact O-CD1 3.39Å; L41-L45 WeakPolarHBondContact O-CG 3.44Å; L41-L45 PolarHBondContact O-N 3Å; L42-L45 PolarHBondContact O-N 3.39Å; L45-I48 PolarHBondContact O-N 3.06Å; L45-F49 HydrophobicContact CB-CD2 4.41Å; L45-F49 HydrophobicContact CD2-CD2 4.23Å; L45-F49 HydrophobicContact CD2-CE2 3.67Å; L45-F49 WeakPolarHBondContact O-CB 3.34Å; L45-F49 VanDerWaalsContact O-CD2 3.29Å; L45-F49 WeakPolarHBondContact O-CD2 3.37Å; L45-F49 PolarHBondContact O-N 3.26Å; L45-Y69 HydrophobicContact CD1-CD2 3.99Å; L45-Y69 HydrophobicContact CD1-CE2 3.93Å; L45-Q70 HydrophobicContact CD1-CB 4.2Å; L45-L161 HydrophobicContact CD2-CD1 4.39Å; L45-M196 HydrophobicContact CB-CE 4.44Å; L45-M196 HydrophobicContact CD1-SD 4.43Å; L45-M196 HydrophobicContact CD2-CE 3.51Å; L45-M196 HydrophobicContact CD2-SD 4.04Å; L45-M196 HydrophobicContact CG-CE 3.5Å; L45-M196 HydrophobicContact CG-SD 3.95Å |
| 46 | F | 98.6 | Very high | 97.5 | Very high | 39 Ų | 39 | 39.3 Ų | 39.3 | 17% | 0.171 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 173.6 | 164.6 | -111.8 | 0 | 0 | 0 | 111 | L42 E43 N44 I48 C50 L51 L117 E118 | L42-F46 VanDerWaalsContact O-CB 3.32Å; L42-F46 WeakPolarHBondContact O-CB 3.44Å; L42-F46 PolarHBondContact O-N 3.01Å; E43-F46 PolarHBondContact O-N 2.85Å; N44-F46 VanDerWaalsContact C-N 3.35Å; N44-F46 PolarHBondContact O-N 3.23Å; F46-I48 PolarHBondContact O-N 3.36Å; F46-C50 HydrophobicContact CD2-CB 3.64Å; F46-C50 HydrophobicContact CE2-CB 3.59Å; F46-C50 WeakPolarHBondContact O-CA 3.46Å; F46-C50 WeakPolarHBondContact O-CB 3.42Å; F46-C50 PolarHBondContact O-N 3.22Å; F46-L51 HydrophobicContact CD1-CD1 4.38Å; F46-L51 HydrophobicContact CE1-CD1 3.74Å; F46-L51 HydrophobicContact CE1-CD2 4.42Å; F46-L51 HydrophobicContact CE1-CG 4.1Å; F46-L51 HydrophobicContact CZ-CD1 4.12Å; F46-L51 HydrophobicContact CZ-CD2 3.95Å; F46-L51 HydrophobicContact CZ-CG 4.05Å; F46-L117 HydrophobicContact CB-CB 4.5Å; F46-L117 HydrophobicContact CB-CD1 4.22Å; F46-L117 HydrophobicContact CD1-CB 4.29Å; F46-L117 HydrophobicContact CD2-CB 4.45Å; F46-L117 HydrophobicContact CG-CB 4.15Å; F46-L117 WeakPolarHBondContact CZ-O 3.37Å; F46-E118 HydrophobicContact CD2-CG 3.71Å; F46-E118 HydrophobicContact CE2-CB 4.42Å; F46-E118 HydrophobicContact CE2-CG 3.83Å |
| 47 | K | 98.6 | Very high | 97.7 | Very high | 64 Ų | 64 | 39.9 Ų | 39.9 | 28% | 0.278 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -58.8 | -50.7 | 177.1 | 178.4 | 178.8 | 171.6 | -175.1 | 0 | 111.7 | E43 N44 F49 L51 D52 W234 E236 | E43-K47 WeakPolarHBondContact O-CB 3.48Å; E43-K47 PolarHBondContact O-N 3.16Å; N44-K47 PolarHBondContact O-N 2.89Å; K47-F49 PolarHBondContact O-N 2.9Å; K47-L51 CarbonylContact O-C 3.56Å; K47-L51 WeakPolarHBondContact O-CA 3.34Å; K47-L51 WeakPolarHBondContact O-CB 3.28Å; K47-L51 PolarHBondContact O-N 2.96Å; K47-D52 VanDerWaalsContact CE-OD2 3.26Å; K47-D52 WeakPolarHBondContact CE-OD2 3.46Å; K47-D52 WeakPolarHBondContact CG-OD2 3.31Å; K47-D52 PolarHBondContact O-N 2.8Å; K47-W234 HydrophobicContact CD-CZ2 4.34Å; K47-E236 IonicContact NZ-OE2 3.06Å |
| 48 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -57.7 | -52.8 | -178.6 | -68.5 | 164.5 | 0 | 0 | 0 | 111.2 | N44 L45 F46 V54 V194 M196 W234 V256 | N44-I48 WeakPolarHBondContact O-CB 3.47Å; N44-I48 WeakPolarHBondContact O-CD1 3.4Å; N44-I48 WeakPolarHBondContact O-CG1 3.48Å; N44-I48 PolarHBondContact O-N 2.62Å; L45-I48 PolarHBondContact O-N 3.06Å; F46-I48 PolarHBondContact O-N 3.36Å; I48-V54 HydrophobicContact CG2-CB 3.98Å; I48-V54 HydrophobicContact CG2-CG1 4.38Å; I48-V54 HydrophobicContact CG2-CG2 3.82Å; I48-V54 WeakPolarHBondContact O-CB 3.49Å; I48-V54 PolarHBondContact O-N 3.16Å; I48-V194 HydrophobicContact CD1-CG1 3.92Å; I48-V194 HydrophobicContact CG2-CG1 4.31Å; I48-V194 HydrophobicContact CG2-CG2 4.06Å; I48-M196 HydrophobicContact CD1-CE 3.57Å; I48-W234 HydrophobicContact CD1-CE3 4.21Å; I48-W234 HydrophobicContact CD1-CH2 3.97Å; I48-W234 HydrophobicContact CD1-CZ3 3.46Å; I48-W234 VanDerWaalsContact CD1-CZ3 3.46Å; I48-W234 HydrophobicContact CG1-CE3 4.15Å; I48-W234 HydrophobicContact CG1-CH2 4.11Å; I48-W234 HydrophobicContact CG1-CZ3 3.73Å; I48-V256 HydrophobicContact CB-CG2 4.44Å; I48-V256 HydrophobicContact CD1-CG2 4.06Å; I48-V256 HydrophobicContact CG1-CG2 3.82Å; I48-V256 HydrophobicContact CG2-CG2 3.8Å |
| 49 | F | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -87.5 | -30.6 | -169.9 | -67 | -58.4 | 0 | 0 | 0 | 113.5 | L45 K47 V54 L59 A74 S77 F78 L161 V194 | L45-F49 HydrophobicContact CB-CD2 4.41Å; L45-F49 HydrophobicContact CD2-CD2 4.23Å; L45-F49 HydrophobicContact CD2-CE2 3.67Å; L45-F49 WeakPolarHBondContact O-CB 3.34Å; L45-F49 VanDerWaalsContact O-CD2 3.29Å; L45-F49 WeakPolarHBondContact O-CD2 3.37Å; L45-F49 PolarHBondContact O-N 3.26Å; K47-F49 PolarHBondContact O-N 2.9Å; F49-V54 HydrophobicContact CD1-CB 4.15Å; F49-V54 HydrophobicContact CD1-CG1 3.95Å; F49-V54 HydrophobicContact CE1-CB 4.44Å; F49-V54 HydrophobicContact CE1-CG1 3.79Å; F49-L59 HydrophobicContact CE1-CD1 3.97Å; F49-L59 HydrophobicContact CZ-CD1 4.01Å; F49-A74 HydrophobicContact CD1-CB 4.29Å; F49-A74 HydrophobicContact CD2-CB 3.8Å; F49-A74 HydrophobicContact CE1-CB 4.27Å; F49-A74 HydrophobicContact CE2-CB 3.76Å; F49-A74 HydrophobicContact CG-CB 4.07Å; F49-A74 HydrophobicContact CZ-CB 4Å; F49-S77 WeakPolarHBondContact O-CB 3.29Å; F49-S77 PolarHBondContact O-OG 2.95Å; F49-F78 HydrophobicContact CD1-CD2 4.34Å; F49-F78 AromaticContact CD1-CE2 3.72Å; F49-F78 HydrophobicContact CD1-CE2 3.72Å; F49-F78 HydrophobicContact CE1-CD2 4.4Å; F49-F78 AromaticContact CE1-CE2 3.69Å; F49-F78 HydrophobicContact CE1-CE2 3.69Å; F49-L161 HydrophobicContact CZ-CD1 4.28Å; F49-L161 HydrophobicContact CZ-CD2 4.44Å; F49-V194 HydrophobicContact CE1-CG2 4.32Å; F49-V194 HydrophobicContact CZ-CG1 4.45Å; F49-V194 HydrophobicContact CZ-CG2 4.22Å |
| 50 | C | 97.5 | Very high | 97.9 | Very high | 46 Ų | 46 | 37.4 Ų | 37.4 | 31% | 0.311 | 20% | 0.201 | S | C | . | . | I | π-helix | trans | -104 | -26.2 | -174.6 | -59.6 | 0 | 0 | 0 | 0 | 113.9 | F46 | F46-C50 HydrophobicContact CD2-CB 3.64Å; F46-C50 HydrophobicContact CE2-CB 3.59Å; F46-C50 WeakPolarHBondContact O-CA 3.46Å; F46-C50 WeakPolarHBondContact O-CB 3.42Å; F46-C50 PolarHBondContact O-N 3.22Å |
| 51 | L | 96.9 | Very high | 97.9 | Very high | 110 Ų | 110 | 34.4 Ų | 34.4 | 58% | 0.576 | 19% | 0.187 | S | C | * | . | I | π-helix | trans | -109.8 | -44.6 | -175.2 | -55 | -177 | 0 | 0 | 0 | 113.1 | F46 K47 G53 | F46-L51 HydrophobicContact CD1-CD1 4.38Å; F46-L51 HydrophobicContact CE1-CD1 3.74Å; F46-L51 HydrophobicContact CE1-CD2 4.42Å; F46-L51 HydrophobicContact CE1-CG 4.1Å; F46-L51 HydrophobicContact CZ-CD1 4.12Å; F46-L51 HydrophobicContact CZ-CD2 3.95Å; F46-L51 HydrophobicContact CZ-CG 4.05Å; K47-L51 CarbonylContact O-C 3.56Å; K47-L51 WeakPolarHBondContact O-CA 3.34Å; K47-L51 WeakPolarHBondContact O-CB 3.28Å; K47-L51 PolarHBondContact O-N 2.96Å; L51-G53 VanDerWaalsContact C-N 3.32Å; L51-G53 PolarHBondContact O-N 2.8Å |
| 52 | D | 93.9 | Very high | 97.9 | Very high | 85 Ų | 85 | 34.3 Ų | 34.3 | 46% | 0.455 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -91 | 6.2 | -170.4 | -67.8 | -12.4 | 0 | 0 | 0 | 113.4 | K47 V54 | K47-D52 VanDerWaalsContact CE-OD2 3.26Å; K47-D52 WeakPolarHBondContact CE-OD2 3.46Å; K47-D52 WeakPolarHBondContact CG-OD2 3.31Å; K47-D52 PolarHBondContact O-N 2.8Å; D52-V54 PolarHBondContact O-N 2.95Å |
| 53 | G | 90.5 | Very high | 97.9 | Very high | 37 Ų | 37 | 34.6 Ų | 34.6 | 38% | 0.381 | 19% | 0.19 | S | C | . | . | trans | 79.1 | 16.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L51 K55 | L51-G53 VanDerWaalsContact C-N 3.32Å; L51-G53 PolarHBondContact O-N 2.8Å; G53-K55 PolarHBondContact O-N 2.98Å; G53-K55 VanDerWaalsContact O-N 3.12Å | ||
| 54 | V | 98.3 | Very high | 97.9 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | trans | -70.8 | 103.3 | 169.4 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | I48 F49 D52 S77 F78 F192 V194 V256 | I48-V54 HydrophobicContact CG2-CB 3.98Å; I48-V54 HydrophobicContact CG2-CG1 4.38Å; I48-V54 HydrophobicContact CG2-CG2 3.82Å; I48-V54 WeakPolarHBondContact O-CB 3.49Å; I48-V54 PolarHBondContact O-N 3.16Å; F49-V54 HydrophobicContact CD1-CB 4.15Å; F49-V54 HydrophobicContact CD1-CG1 3.95Å; F49-V54 HydrophobicContact CE1-CB 4.44Å; F49-V54 HydrophobicContact CE1-CG1 3.79Å; D52-V54 PolarHBondContact O-N 2.95Å; V54-S77 WeakPolarHBondContact O-CB 3.04Å; V54-F78 HydrophobicContact CG1-CE2 4.24Å; V54-F78 HydrophobicContact CG1-CZ 4.07Å; V54-F192 HydrophobicContact CG1-CB 3.95Å; V54-F192 HydrophobicContact CG1-CD1 4.32Å; V54-F192 HydrophobicContact CG1-CD2 3.84Å; V54-F192 HydrophobicContact CG1-CE2 4.31Å; V54-F192 HydrophobicContact CG1-CG 3.8Å; V54-F192 HydrophobicContact CG2-CD1 4Å; V54-F192 HydrophobicContact CG2-CE1 4.01Å; V54-F192 HydrophobicContact CG2-CG 4.33Å; V54-F192 HydrophobicContact CG2-CZ 4.33Å; V54-V194 HydrophobicContact CG1-CG2 4.3Å; V54-V256 HydrophobicContact CG2-CG1 4.01Å | ||
| 55 | K | 98.5 | Very high | 97.9 | Very high | 142 Ų | 142 | 31.3 Ų | 31.3 | 62% | 0.617 | 18% | 0.176 | S | C | * | . | trans | -150.5 | 162.1 | -176.1 | 67.7 | -172.3 | 177.1 | -176 | 0 | 111.8 | G53 S77 | G53-K55 PolarHBondContact O-N 2.98Å; G53-K55 VanDerWaalsContact O-N 3.12Å; K55-S77 WeakPolarHBondContact CA-O 3.47Å; K55-S77 WeakPolarHBondContact CB-O 3.46Å | ||
| 56 | G | 98.3 | Very high | 97.9 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 23% | 0.227 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.8 | -167.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S77 F78 | G56-S77 PolarHBondContact N-O 2.84Å; G56-S77 VanDerWaalsContact N-O 3.08Å; G56-F78 VanDerWaalsContact N-CE1 3.25Å |
| 57 | D | 98.6 | Very high | 97.9 | Very high | 81 Ų | 81 | 29.7 Ų | 29.7 | 43% | 0.433 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -51.5 | 175.7 | -68.6 | -41.8 | 0 | 0 | 0 | 110.4 | K79 E80 D158 | D57-K79 PolarHBondContact O-N 3.05Å; D57-K79 WeakPolarHBondContact OD1-CD 3.28Å; D57-K79 WeakPolarHBondContact OD1-CE 3.38Å; D57-K79 IonicContact OD1-NZ 2.69Å; D57-K79 PolarHBondContact OD1-NZ 2.84Å; D57-E80 PolarHBondContact O-N 3.19Å; D57-D158 PolarHBondContact N-OD2 3.22Å |
| 58 | L | 98.9 | Very high | 97.9 | Very high | 8 Ų | 8 | 26.9 Ų | 26.9 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125 | -174.7 | 176.9 | 62.7 | 0 | 0 | 0 | 112.9 | I60 E80 I82 P155 A157 D158 C159 | L58-I60 HydrophobicContact CD1-CG1 4.42Å; L58-I60 HydrophobicContact CD2-CD1 4.47Å; L58-I60 HydrophobicContact CD2-CG1 4.39Å; L58-I60 HydrophobicContact CG-CG1 4.27Å; L58-E80 WeakPolarHBondContact CA-O 3.5Å; L58-E80 HydrophobicContact CD1-CB 4.01Å; L58-I82 HydrophobicContact CD1-CD1 3.99Å; L58-I82 HydrophobicContact CD1-CG1 3.99Å; L58-P155 HydrophobicContact CD2-CG 3.82Å; L58-A157 HydrophobicContact CD2-CB 4.32Å; L58-A157 HydrophobicContact CG-CB 4.21Å; L58-D158 PolarHBondContact N-OD2 3.43Å; L58-D158 PolarHBondContact O-N 3.42Å; L58-C159 PolarHBondContact O-N 3.39Å |
| 59 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.4 | 164.6 | -179.8 | 150.1 | 0 | 0 | 0 | 110.3 | F49 D61 L71 A74 F78 E80 I81 I82 C159 L161 | F49-L59 HydrophobicContact CE1-CD1 3.97Å; F49-L59 HydrophobicContact CZ-CD1 4.01Å; L59-D61 HydrophobicContact CD2-CB 4.16Å; L59-L71 HydrophobicContact CD2-CD2 4.23Å; L59-A74 HydrophobicContact CD1-CB 4.06Å; L59-F78 HydrophobicContact CB-CB 4.02Å; L59-F78 HydrophobicContact CB-CD1 3.71Å; L59-F78 HydrophobicContact CB-CD2 4.15Å; L59-F78 HydrophobicContact CB-CE1 4.22Å; L59-F78 HydrophobicContact CB-CG 3.67Å; L59-F78 HydrophobicContact CD1-CD2 3.74Å; L59-F78 HydrophobicContact CD1-CE2 3.86Å; L59-F78 HydrophobicContact CD1-CG 4.15Å; L59-F78 HydrophobicContact CD1-CZ 4.35Å; L59-E80 PolarHBondContact N-O 3Å; L59-I81 HydrophobicContact CB-CG1 4.45Å; L59-I81 HydrophobicContact CD2-CG1 4.47Å; L59-I81 HydrophobicContact CD2-CG2 4.05Å; L59-I81 CarbonylContact O-C 3.49Å; L59-I81 WeakPolarHBondContact O-CA 3.49Å; L59-I82 PolarHBondContact O-N 2.95Å; L59-C159 WeakPolarHBondContact CA-O 3.44Å; L59-C159 HydrophobicContact CB-CB 4.29Å; L59-C159 HydrophobicContact CD1-CB 4.08Å; L59-C159 HydrophobicContact CG-CB 4.17Å; L59-L161 HydrophobicContact CD1-CB 4.35Å; L59-L161 HydrophobicContact CD2-CB 4.14Å; L59-L161 HydrophobicContact CG-CB 4.44Å |
| 60 | I | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 120.2 | 169.2 | -52.6 | 175 | 0 | 0 | 0 | 108.2 | L58 I62 I82 T84 L149 L154 A157 C159 L160 L161 | L58-I60 HydrophobicContact CD1-CG1 4.42Å; L58-I60 HydrophobicContact CD2-CD1 4.47Å; L58-I60 HydrophobicContact CD2-CG1 4.39Å; L58-I60 HydrophobicContact CG-CG1 4.27Å; I60-I62 HydrophobicContact CG2-CD1 3.67Å; I60-I62 HydrophobicContact CG2-CG1 4.42Å; I60-I82 WeakPolarHBondContact CA-O 3.36Å; I60-I82 HydrophobicContact CG1-CB 4.24Å; I60-I82 HydrophobicContact CG1-CD1 4.43Å; I60-I82 HydrophobicContact CG2-CB 4.28Å; I60-I82 HydrophobicContact CG2-CG2 4.27Å; I60-T84 HydrophobicContact CG2-CG2 4.05Å; I60-L149 HydrophobicContact CD1-CD1 4.2Å; I60-L149 HydrophobicContact CG2-CD1 4.27Å; I60-L154 HydrophobicContact CD1-CD1 4.44Å; I60-A157 HydrophobicContact CD1-CB 3.84Å; I60-A157 HydrophobicContact CG1-CB 3.83Å; I60-C159 PolarHBondContact N-O 3.02Å; I60-L160 HydrophobicContact CB-CD2 3.71Å; I60-L160 HydrophobicContact CD1-CD2 4.34Å; I60-L160 HydrophobicContact CG1-CD2 4.36Å; I60-L160 HydrophobicContact CG2-CD2 4.47Å; I60-L160 WeakPolarHBondContact O-CA 3.16Å; I60-L161 PolarHBondContact O-N 2.98Å |
| 61 | D | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 126.2 | 173.6 | -173.2 | 36.6 | 0 | 0 | 0 | 110 | L59 S64 Q70 L71 I82 T84 L161 | L59-D61 HydrophobicContact CD2-CB 4.16Å; D61-S64 WeakPolarHBondContact OD2-CA 3.33Å; D61-S64 WeakPolarHBondContact OD2-CB 3.48Å; D61-S64 PolarHBondContact OD2-OG 3.49Å; D61-Q70 PolarHBondContact OD2-NE2 2.98Å; D61-L71 HydrophobicContact CB-CD2 3.91Å; D61-I82 PolarHBondContact N-O 2.9Å; D61-T84 WeakPolarHBondContact O-CB 3.21Å; D61-T84 PolarHBondContact O-N 2.91Å; D61-T84 PolarHBondContact O-OG1 2.96Å; D61-L161 CarbonylContact C-O 3.59Å; D61-L161 WeakPolarHBondContact CA-O 3.34Å; D61-L161 HydrophobicContact CB-CB 4.47Å; D61-L161 WeakPolarHBondContact OD1-CG 3.38Å |
| 62 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 117.6 | -170.9 | -56.5 | -67.6 | 0 | 0 | 0 | 109.6 | I60 T84 V143 L161 S162 L183 L186 | I60-I62 HydrophobicContact CG2-CD1 3.67Å; I60-I62 HydrophobicContact CG2-CG1 4.42Å; I62-T84 WeakPolarHBondContact CA-OG1 3.46Å; I62-V143 HydrophobicContact CG2-CG1 3.35Å; I62-L161 PolarHBondContact N-O 3.15Å; I62-S162 WeakPolarHBondContact O-CA 3.22Å; I62-S162 WeakPolarHBondContact O-CB 3.4Å; I62-S162 PolarHBondContact O-OG 3.25Å; I62-L183 HydrophobicContact CD1-CD2 4.48Å; I62-L183 HydrophobicContact CG1-CD2 4.18Å; I62-L183 HydrophobicContact CG2-CD1 4.48Å; I62-L183 HydrophobicContact CG2-CD2 3.83Å; I62-L186 HydrophobicContact CD1-CD1 4.08Å |
| 63 | G | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 15.5 Ų | 15.5 | 8% | 0.082 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 71.3 | 45.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G65 T84 D85 | G63-G65 PolarHBondContact O-N 2.94Å; G63-G65 VanDerWaalsContact O-N 3.1Å; G63-T84 CarbonylContact C-O 3.42Å; G63-T84 WeakPolarHBondContact CA-O 3.49Å; G63-T84 PolarHBondContact N-O 3.2Å; G63-D85 WeakPolarHBondContact CA-OD2 3.16Å |
| 64 | S | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.007 | 8% | 0.076 | C | C | . | . | trans | -56.5 | -22.1 | 178.7 | -58.7 | 0 | 0 | 0 | 0 | 113 | D61 T67 T84 | D61-S64 WeakPolarHBondContact OD2-CA 3.33Å; D61-S64 WeakPolarHBondContact OD2-CB 3.48Å; D61-S64 PolarHBondContact OD2-OG 3.49Å; S64-T67 PolarHBondContact O-N 3.48Å; S64-T67 PolarHBondContact O-OG1 3.41Å; S64-T84 PolarHBondContact N-O 3.4Å; S64-T84 PolarHBondContact OG-N 2.9Å; S64-T84 VanDerWaalsContact OG-N 3.14Å; S64-T84 PolarHBondContact OG-O 3.32Å | ||
| 65 | G | 98.7 | Very high | 98.8 | Very high | 8 Ų | 8 | 13.7 Ų | 13.7 | 8% | 0.082 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | -147.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G63 T67 D85 L94 | G63-G65 PolarHBondContact O-N 2.94Å; G63-G65 VanDerWaalsContact O-N 3.1Å; G65-T67 VanDerWaalsContact C-N 3.26Å; G65-D85 WeakPolarHBondContact CA-OD2 3.29Å; G65-D85 PolarHBondContact N-OD2 3.02Å; G65-L94 WeakPolarHBondContact O-CD1 3.3Å; G65-L94 WeakPolarHBondContact O-CG 3.5Å |
| 66 | P | 98.7 | Very high | 98.8 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.013 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 20.5 | 173.2 | 37.7 | -34.9 | 0 | 0 | 0 | 112.8 | F15 P17 Y20 L21 N90 E93 | F15-P66 HydrophobicContact CE1-CG 4.48Å; P17-P66 HydrophobicContact CB-CB 3.79Å; P17-P66 HydrophobicContact CB-CG 3.98Å; Y20-P66 HydrophobicContact CD1-CG 3.73Å; Y20-P66 HydrophobicContact CE1-CG 4.39Å; L21-P66 HydrophobicContact CD1-CB 4.15Å; L21-P66 HydrophobicContact CD1-CG 4.34Å; L21-P66 HydrophobicContact CD2-CB 4.37Å; L21-P66 HydrophobicContact CD2-CG 3.92Å; L21-P66 HydrophobicContact CG-CB 4.27Å; L21-P66 HydrophobicContact CG-CG 3.91Å; P66-N90 HydrophobicContact CB-CB 4.47Å; P66-N90 WeakPolarHBondContact CD-OD1 3.46Å; P66-E93 HydrophobicContact CB-CB 3.85Å; P66-E93 HydrophobicContact CB-CG 3.97Å |
| 67 | T | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 10.3 Ų | 10.3 | 3% | 0.025 | 6% | 0.059 | C | C | . | . | trans | -112.4 | 150.3 | -165.5 | 74 | 0 | 0 | 0 | 0 | 114.4 | Y20 L21 Y25 S64 G65 Q70 L94 W107 | Y20-T67 HydrophobicContact CD1-CG2 4.43Å; Y20-T67 HydrophobicContact CE1-CG2 3.91Å; L21-T67 HydrophobicContact CD2-CG2 3.74Å; Y25-T67 HydrophobicContact CD2-CG2 3.99Å; Y25-T67 HydrophobicContact CE1-CG2 4.23Å; Y25-T67 HydrophobicContact CE2-CG2 3.56Å; Y25-T67 HydrophobicContact CG-CG2 4.48Å; S64-T67 PolarHBondContact O-N 3.48Å; S64-T67 PolarHBondContact O-OG1 3.41Å; G65-T67 VanDerWaalsContact C-N 3.26Å; T67-Q70 PolarHBondContact O-NE2 2.58Å; T67-Q70 PolarHBondContact O-OE1 3.11Å; T67-Q70 PolarHBondContact OG1-NE2 2.95Å; T67-Q70 PolarHBondContact OG1-OE1 3.5Å; T67-L94 WeakPolarHBondContact O-CD2 3.48Å; T67-W107 HydrophobicContact CG2-CH2 4.03Å; T67-W107 HydrophobicContact CG2-CZ2 4.28Å | ||
| 68 | I | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 6.7 Ų | 6.7 | 2% | 0.021 | 4% | 0.04 | C | C | . | . | trans | -122.9 | -6.8 | 177.5 | 62.5 | 155.9 | 0 | 0 | 0 | 114.3 | Q70 L71 L94 W97 W107 L131 | I68-Q70 PolarHBondContact O-N 3.27Å; I68-Q70 VanDerWaalsContact O-N 3.14Å; I68-L71 WeakPolarHBondContact O-CB 3.48Å; I68-L71 PolarHBondContact O-N 2.95Å; I68-L94 HydrophobicContact CG2-CD2 3.67Å; I68-W97 HydrophobicContact CD1-CD2 3.75Å; I68-W97 HydrophobicContact CD1-CE3 3.97Å; I68-W97 HydrophobicContact CD1-CH2 3.48Å; I68-W97 VanDerWaalsContact CD1-CH2 3.48Å; I68-W97 HydrophobicContact CD1-CZ2 3.22Å; I68-W97 HydrophobicContact CD1-CZ3 3.84Å; I68-W97 HydrophobicContact CG2-CD2 4.4Å; I68-W97 HydrophobicContact CG2-CE3 3.93Å; I68-W97 HydrophobicContact CG2-CZ3 4.18Å; I68-W107 HydrophobicContact CD1-CB 3.91Å; I68-W107 HydrophobicContact CD1-CD2 4.04Å; I68-W107 HydrophobicContact CD1-CG 3.6Å; I68-W107 HydrophobicContact CG1-CB 4.39Å; I68-W107 HydrophobicContact CG1-CD2 3.52Å; I68-W107 HydrophobicContact CG1-CE3 4.11Å; I68-W107 HydrophobicContact CG1-CG 3.63Å; I68-W107 HydrophobicContact CG1-CZ2 4.23Å; I68-L131 HydrophobicContact CB-CD2 4.07Å; I68-L131 HydrophobicContact CD1-CD2 4.13Å | ||
| 69 | Y | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 0% | 0.004 | 7% | 0.068 | C | C | . | . | G | 310 helix | trans | -56 | -36.1 | -174.2 | 79.8 | -84.7 | 0 | 0 | 0 | 111.8 | Y25 L38 L41 L42 L45 L71 L72 | Y25-Y69 AromaticContact CD1-CD1 3.93Å; Y25-Y69 HydrophobicContact CD1-CD1 3.93Å; Y25-Y69 HydrophobicContact CD1-CE1 4.29Å; Y25-Y69 HydrophobicContact CD1-CG 4.48Å; Y25-Y69 AromaticContact CE1-CD1 3.41Å; Y25-Y69 HydrophobicContact CE1-CD1 3.41Å; Y25-Y69 VanDerWaalsContact CE1-CD1 3.41Å; Y25-Y69 AromaticContact CE1-CE1 3.33Å; Y25-Y69 HydrophobicContact CE1-CE1 3.33Å; Y25-Y69 HydrophobicContact CE1-CG 4.21Å; Y25-Y69 AromaticContact CZ-CE1 3.84Å; L38-Y69 HydrophobicContact CD1-CD1 4.4Å; L38-Y69 HydrophobicContact CD1-CD2 3.52Å; L38-Y69 HydrophobicContact CD1-CE2 3.98Å; L38-Y69 HydrophobicContact CD1-CG 3.76Å; L41-Y69 HydrophobicContact CB-CE2 4.06Å; L41-Y69 HydrophobicContact CD1-CE2 4.14Å; L42-Y69 HydrophobicContact CD2-CD2 3.9Å; L42-Y69 HydrophobicContact CD2-CG 4.49Å; L45-Y69 HydrophobicContact CD1-CD2 3.99Å; L45-Y69 HydrophobicContact CD1-CE2 3.93Å; Y69-L71 PolarHBondContact O-N 2.83Å; Y69-L72 PolarHBondContact O-N 2.88Å |
| 70 | Q | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -67.3 | -14 | -178.5 | 73.6 | -76.7 | 11.2 | 0 | 0 | 113.5 | L45 D61 T67 I68 L161 T163 | L45-Q70 HydrophobicContact CD1-CB 4.2Å; D61-Q70 PolarHBondContact OD2-NE2 2.98Å; T67-Q70 PolarHBondContact O-NE2 2.58Å; T67-Q70 PolarHBondContact O-OE1 3.11Å; T67-Q70 PolarHBondContact OG1-NE2 2.95Å; T67-Q70 PolarHBondContact OG1-OE1 3.5Å; I68-Q70 PolarHBondContact O-N 3.27Å; I68-Q70 VanDerWaalsContact O-N 3.14Å; Q70-L161 HydrophobicContact CB-CD2 4.03Å; Q70-L161 HydrophobicContact CG-CD2 3.81Å; Q70-L161 WeakPolarHBondContact O-CD2 3.33Å; Q70-T163 HydrophobicContact CB-CG2 3.83Å; Q70-T163 HydrophobicContact CG-CG2 4.3Å |
| 71 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -106.7 | -11 | -173.7 | -51.5 | 174.9 | 0 | 0 | 0 | 113.3 | L59 D61 I68 Y69 S73 A74 C75 I81 V83 L131 L161 | L59-L71 HydrophobicContact CD2-CD2 4.23Å; D61-L71 HydrophobicContact CB-CD2 3.91Å; I68-L71 WeakPolarHBondContact O-CB 3.48Å; I68-L71 PolarHBondContact O-N 2.95Å; Y69-L71 PolarHBondContact O-N 2.83Å; L71-S73 PolarHBondContact O-N 3.12Å; L71-A74 PolarHBondContact O-N 2.63Å; L71-C75 PolarHBondContact O-N 2.64Å; L71-I81 HydrophobicContact CB-CD1 4.46Å; L71-I81 HydrophobicContact CD1-CG2 4.25Å; L71-I81 HydrophobicContact CD2-CG2 4.15Å; L71-V83 HydrophobicContact CD1-CG1 3.44Å; L71-V83 VanDerWaalsContact CD1-CG1 3.44Å; L71-L131 HydrophobicContact CB-CD1 3.55Å; L71-L131 HydrophobicContact CB-CD2 4.02Å; L71-L131 HydrophobicContact CB-CG 4.47Å; L71-L131 HydrophobicContact CD1-CD1 4.38Å; L71-L161 HydrophobicContact CD2-CD2 3.81Å |
| 72 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -40.9 | -171.7 | -70 | 168.7 | 0 | 0 | 0 | 113.3 | Y69 C75 V110 V111 V114 K127 L131 | Y69-L72 PolarHBondContact O-N 2.88Å; L72-C75 PolarHBondContact O-SG 3.1Å; L72-V110 HydrophobicContact CD1-CG1 3.75Å; L72-V111 HydrophobicContact CD1-CG2 4.26Å; L72-V111 HydrophobicContact CD2-CG2 3.85Å; L72-V114 HydrophobicContact CB-CB 4.19Å; L72-V114 HydrophobicContact CB-CG1 3.86Å; L72-V114 HydrophobicContact CB-CG2 4Å; L72-V114 HydrophobicContact CD1-CB 4.29Å; L72-V114 HydrophobicContact CD1-CG2 3.72Å; L72-K127 HydrophobicContact CD2-CD 4.4Å; L72-K127 HydrophobicContact CD2-CG 4.1Å; L72-K127 WeakPolarHBondContact O-CD 3.47Å; L72-K127 PolarHBondContact O-NZ 2.8Å; L72-L131 HydrophobicContact CD2-CD2 3.82Å; L72-L131 HydrophobicContact CG-CD2 4.38Å |
| 73 | S | 98.7 | Very high | 98.7 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.014 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -27.4 | 171.2 | -64.8 | 0 | 0 | 0 | 0 | 112.1 | L71 C75 E76 V114 E118 | L71-S73 PolarHBondContact O-N 3.12Å; S73-C75 VanDerWaalsContact C-N 3.31Å; S73-C75 PolarHBondContact O-N 3.41Å; S73-E76 WeakPolarHBondContact O-CB 3.12Å; S73-E76 PolarHBondContact O-N 2.79Å; S73-E76 VanDerWaalsContact O-N 3.12Å; S73-V114 WeakPolarHBondContact OG-CG1 3.35Å; S73-E118 WeakPolarHBondContact CA-OE1 3.49Å; S73-E118 PolarHBondContact OG-OE1 3.13Å |
| 74 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -62.3 | -37.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F49 L59 L71 E76 S77 F78 | F49-A74 HydrophobicContact CD1-CB 4.29Å; F49-A74 HydrophobicContact CD2-CB 3.8Å; F49-A74 HydrophobicContact CE1-CB 4.27Å; F49-A74 HydrophobicContact CE2-CB 3.76Å; F49-A74 HydrophobicContact CG-CB 4.07Å; F49-A74 HydrophobicContact CZ-CB 4Å; L59-A74 HydrophobicContact CD1-CB 4.06Å; L71-A74 PolarHBondContact O-N 2.63Å; A74-E76 PolarHBondContact O-N 2.76Å; A74-E76 VanDerWaalsContact O-N 3.11Å; A74-S77 PolarHBondContact O-N 3.46Å; A74-F78 WeakPolarHBondContact O-CD2 3.47Å; A74-F78 PolarHBondContact O-N 3.46Å |
| 75 | C | 98.6 | Very high | 98.8 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 3% | 0.027 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -67 | -9.9 | 178.1 | 74.1 | 0 | 0 | 0 | 0 | 113.9 | L71 L72 S73 S77 I81 K130 L131 A134 | L71-C75 PolarHBondContact O-N 2.64Å; L72-C75 PolarHBondContact O-SG 3.1Å; S73-C75 VanDerWaalsContact C-N 3.31Å; S73-C75 PolarHBondContact O-N 3.41Å; C75-S77 VanDerWaalsContact C-N 3.32Å; C75-I81 HydrophobicContact CB-CD1 4.01Å; C75-K130 WeakPolarHBondContact O-CE 3.41Å; C75-L131 HydrophobicContact CB-CB 4.35Å; C75-L131 HydrophobicContact CB-CD1 3.97Å; C75-A134 HydrophobicContact CB-CB 4.1Å |
| 76 | E | 98.2 | Very high | 98.8 | Very high | 65 Ų | 65 | 20.2 Ų | 20.2 | 30% | 0.304 | 10% | 0.095 | S | C | . | . | G | 310 helix | trans | -75.1 | -25.1 | 169.4 | -62.4 | -54 | 118.4 | 0 | 0 | 112.8 | S73 A74 K127 K130 | S73-E76 WeakPolarHBondContact O-CB 3.12Å; S73-E76 PolarHBondContact O-N 2.79Å; S73-E76 VanDerWaalsContact O-N 3.12Å; A74-E76 PolarHBondContact O-N 2.76Å; A74-E76 VanDerWaalsContact O-N 3.11Å; E76-K127 IonicContact OE1-NZ 3.15Å; E76-K127 PolarHBondContact OE1-NZ 2.57Å; E76-K130 WeakPolarHBondContact OE1-CD 3.15Å; E76-K130 VanDerWaalsContact OE1-CE 3.28Å; E76-K130 WeakPolarHBondContact OE1-CE 3.46Å; E76-K130 IonicContact OE1-NZ 2.69Å; E76-K130 PolarHBondContact OE1-NZ 2.91Å; E76-K130 IonicContact OE2-NZ 3.32Å; E76-K130 PolarHBondContact OE2-NZ 3.01Å |
| 77 | S | 98.6 | Very high | 98.7 | Very high | 27 Ų | 27 | 20.2 Ų | 20.2 | 19% | 0.189 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | -10 | -168.7 | -73.8 | 0 | 0 | 0 | 0 | 114.2 | F49 V54 K55 G56 A74 C75 | F49-S77 WeakPolarHBondContact O-CB 3.29Å; F49-S77 PolarHBondContact O-OG 2.95Å; V54-S77 WeakPolarHBondContact O-CB 3.04Å; K55-S77 WeakPolarHBondContact CA-O 3.47Å; K55-S77 WeakPolarHBondContact CB-O 3.46Å; G56-S77 PolarHBondContact N-O 2.84Å; G56-S77 VanDerWaalsContact N-O 3.08Å; A74-S77 PolarHBondContact O-N 3.46Å; C75-S77 VanDerWaalsContact C-N 3.32Å |
| 78 | F | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 2% | 0.022 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 134.1 | 176.6 | -66.5 | -88.4 | 0 | 0 | 0 | 111 | F49 V54 G56 L59 A74 I81 D158 C159 | F49-F78 HydrophobicContact CD1-CD2 4.34Å; F49-F78 AromaticContact CD1-CE2 3.72Å; F49-F78 HydrophobicContact CD1-CE2 3.72Å; F49-F78 HydrophobicContact CE1-CD2 4.4Å; F49-F78 AromaticContact CE1-CE2 3.69Å; F49-F78 HydrophobicContact CE1-CE2 3.69Å; V54-F78 HydrophobicContact CG1-CE2 4.24Å; V54-F78 HydrophobicContact CG1-CZ 4.07Å; G56-F78 VanDerWaalsContact N-CE1 3.25Å; L59-F78 HydrophobicContact CB-CB 4.02Å; L59-F78 HydrophobicContact CB-CD1 3.71Å; L59-F78 HydrophobicContact CB-CD2 4.15Å; L59-F78 HydrophobicContact CB-CE1 4.22Å; L59-F78 HydrophobicContact CB-CG 3.67Å; L59-F78 HydrophobicContact CD1-CD2 3.74Å; L59-F78 HydrophobicContact CD1-CE2 3.86Å; L59-F78 HydrophobicContact CD1-CG 4.15Å; L59-F78 HydrophobicContact CD1-CZ 4.35Å; A74-F78 WeakPolarHBondContact O-CD2 3.47Å; A74-F78 PolarHBondContact O-N 3.46Å; F78-I81 HydrophobicContact CB-CG1 4.49Å; F78-D158 HydrophobicContact CE1-CB 4.1Å; F78-C159 HydrophobicContact CD1-CB 4.41Å; F78-C159 HydrophobicContact CE1-CB 3.42Å; F78-C159 VanDerWaalsContact CE1-CB 3.42Å; F78-C159 HydrophobicContact CE2-CB 4.14Å; F78-C159 HydrophobicContact CZ-CB 3.27Å |
| 79 | K | 98.1 | Very high | 98.7 | Very high | 145 Ų | 145 | 25.1 Ų | 25.1 | 63% | 0.63 | 12% | 0.12 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -35 | -179 | -62.1 | 175.3 | -171.6 | 154.1 | 0 | 111.9 | D57 | D57-K79 PolarHBondContact O-N 3.05Å; D57-K79 WeakPolarHBondContact OD1-CD 3.28Å; D57-K79 WeakPolarHBondContact OD1-CE 3.38Å; D57-K79 IonicContact OD1-NZ 2.69Å; D57-K79 PolarHBondContact OD1-NZ 2.84Å |
| 80 | E | 98.9 | Very high | 98.7 | Very high | 92 Ų | 92 | 25.2 Ų | 25.2 | 43% | 0.43 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.3 | -177.8 | -59.8 | -171.8 | 169.8 | 0 | 0 | 109.8 | D57 L58 L59 A134 K136 | D57-E80 PolarHBondContact O-N 3.19Å; L58-E80 WeakPolarHBondContact CA-O 3.5Å; L58-E80 HydrophobicContact CD1-CB 4.01Å; L59-E80 PolarHBondContact N-O 3Å; E80-A134 WeakPolarHBondContact CA-O 3.18Å; E80-K136 HydrophobicContact CB-CG 3.96Å; E80-K136 HydrophobicContact CG-CG 3.98Å |
| 81 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.9 | 176.1 | -62.5 | 174.7 | 0 | 0 | 0 | 107.9 | L59 L71 C75 F78 V83 L131 A134 V135 K136 | L59-I81 HydrophobicContact CB-CG1 4.45Å; L59-I81 HydrophobicContact CD2-CG1 4.47Å; L59-I81 HydrophobicContact CD2-CG2 4.05Å; L59-I81 CarbonylContact O-C 3.49Å; L59-I81 WeakPolarHBondContact O-CA 3.49Å; L71-I81 HydrophobicContact CB-CD1 4.46Å; L71-I81 HydrophobicContact CD1-CG2 4.25Å; L71-I81 HydrophobicContact CD2-CG2 4.15Å; C75-I81 HydrophobicContact CB-CD1 4.01Å; F78-I81 HydrophobicContact CB-CG1 4.49Å; I81-V83 HydrophobicContact CG2-CG1 3.92Å; I81-L131 HydrophobicContact CD1-CD1 3.9Å; I81-A134 HydrophobicContact CD1-CB 4.04Å; I81-A134 HydrophobicContact CG1-CB 4.28Å; I81-A134 PolarHBondContact N-O 3.3Å; I81-V135 HydrophobicContact CB-CG2 4.23Å; I81-V135 HydrophobicContact CG2-CG2 4.16Å; I81-V135 CarbonylContact O-C 3.56Å; I81-V135 WeakPolarHBondContact O-CA 3.41Å; I81-K136 PolarHBondContact O-N 3.12Å |
| 82 | I | 98.9 | Very high | 98.6 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.8 | 166.3 | -64 | 177.5 | 0 | 0 | 0 | 106.9 | L58 L59 I60 D61 T84 Q137 L139 L154 | L58-I82 HydrophobicContact CD1-CD1 3.99Å; L58-I82 HydrophobicContact CD1-CG1 3.99Å; L59-I82 PolarHBondContact O-N 2.95Å; I60-I82 WeakPolarHBondContact CA-O 3.36Å; I60-I82 HydrophobicContact CG1-CB 4.24Å; I60-I82 HydrophobicContact CG1-CD1 4.43Å; I60-I82 HydrophobicContact CG2-CB 4.28Å; I60-I82 HydrophobicContact CG2-CG2 4.27Å; D61-I82 PolarHBondContact N-O 2.9Å; I82-T84 HydrophobicContact CG2-CG2 3.67Å; I82-Q137 HydrophobicContact CG1-CB 4.24Å; I82-Q137 HydrophobicContact CG2-CB 4.25Å; I82-L139 HydrophobicContact CG2-CD1 3.85Å; I82-L139 HydrophobicContact CG2-CG 4.21Å; I82-L154 HydrophobicContact CD1-CD1 3.7Å; I82-L154 HydrophobicContact CD1-CD2 3.68Å; I82-L154 HydrophobicContact CD1-CG 4.29Å |
| 83 | V | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 137.2 | 176.5 | -60.6 | 0 | 0 | 0 | 0 | 109.4 | L71 I81 L94 V135 Q137 V138 L139 | L71-V83 HydrophobicContact CD1-CG1 3.44Å; L71-V83 VanDerWaalsContact CD1-CG1 3.44Å; I81-V83 HydrophobicContact CG2-CG1 3.92Å; V83-L94 HydrophobicContact CB-CD1 4.32Å; V83-L94 HydrophobicContact CG2-CD1 4.05Å; V83-V135 HydrophobicContact CG1-CG1 4.3Å; V83-V135 HydrophobicContact CG1-CG2 4.19Å; V83-V135 HydrophobicContact CG2-CG1 4Å; V83-Q137 PolarHBondContact N-O 3.5Å; V83-V138 HydrophobicContact CG2-CB 4.15Å; V83-V138 HydrophobicContact CG2-CG1 4.18Å; V83-V138 HydrophobicContact CG2-CG2 3.68Å; V83-V138 WeakPolarHBondContact O-CA 3.32Å; V83-L139 PolarHBondContact O-N 3Å |
| 84 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 141.5 | -172.2 | 76.6 | 0 | 0 | 0 | 0 | 112.6 | I60 D61 I62 G63 S64 I82 L139 C141 L149 | I60-T84 HydrophobicContact CG2-CG2 4.05Å; D61-T84 WeakPolarHBondContact O-CB 3.21Å; D61-T84 PolarHBondContact O-N 2.91Å; D61-T84 PolarHBondContact O-OG1 2.96Å; I62-T84 WeakPolarHBondContact CA-OG1 3.46Å; G63-T84 CarbonylContact C-O 3.42Å; G63-T84 WeakPolarHBondContact CA-O 3.49Å; G63-T84 PolarHBondContact N-O 3.2Å; S64-T84 PolarHBondContact N-O 3.4Å; S64-T84 PolarHBondContact OG-N 2.9Å; S64-T84 VanDerWaalsContact OG-N 3.14Å; S64-T84 PolarHBondContact OG-O 3.32Å; I82-T84 HydrophobicContact CG2-CG2 3.67Å; T84-L139 WeakPolarHBondContact CA-O 3.37Å; T84-L139 WeakPolarHBondContact CB-O 3.34Å; T84-L139 HydrophobicContact CG2-CB 4.08Å; T84-C141 PolarHBondContact OG1-SG 3.29Å; T84-L149 HydrophobicContact CG2-CD2 3.74Å |
| 85 | D | 98.9 | Very high | 98.6 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 8% | 0.075 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 159.6 | 177.5 | -160.8 | -105.1 | 0 | 0 | 0 | 110.5 | G63 G65 S87 N90 L91 L139 K140 C141 | G63-D85 WeakPolarHBondContact CA-OD2 3.16Å; G65-D85 WeakPolarHBondContact CA-OD2 3.29Å; G65-D85 PolarHBondContact N-OD2 3.02Å; D85-S87 WeakPolarHBondContact OD1-CB 3.39Å; D85-S87 PolarHBondContact OD1-N 2.86Å; D85-S87 PolarHBondContact OD1-OG 3.15Å; D85-N90 HydrophobicContact CB-CB 4.31Å; D85-N90 WeakPolarHBondContact OD1-CB 3.37Å; D85-N90 PolarHBondContact OD1-ND2 3.09Å; D85-L91 HydrophobicContact CB-CD2 3.56Å; D85-L91 HydrophobicContact CB-CG 4.16Å; D85-L139 PolarHBondContact N-O 2.82Å; D85-K140 WeakPolarHBondContact O-CA 3.27Å; D85-C141 PolarHBondContact O-N 3.27Å |
| 86 | Y | 98.6 | Very high | 98.6 | Very high | 53 Ų | 53 | 37.9 Ų | 37.9 | 21% | 0.208 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -79.9 | -32.2 | 174.6 | -178.7 | -96.6 | 0 | 0 | 0 | 112.5 | K8 L12 K140 C141 D142 | K8-Y86 HydrophobicContact CB-CD1 4.26Å; K8-Y86 HydrophobicContact CB-CE1 3.52Å; K8-Y86 HydrophobicContact CB-CE2 4.44Å; K8-Y86 HydrophobicContact CD-CD2 4.48Å; K8-Y86 HydrophobicContact CD-CE1 4.43Å; K8-Y86 HydrophobicContact CD-CE2 3.99Å; K8-Y86 HydrophobicContact CG-CE1 4.45Å; K8-Y86 WeakPolarHBondContact O-CE1 3.13Å; L12-Y86 HydrophobicContact CD1-CE1 4.01Å; L12-Y86 HydrophobicContact CD2-CD1 3.97Å; L12-Y86 HydrophobicContact CD2-CE1 3.66Å; L12-Y86 HydrophobicContact CG-CD1 4.41Å; L12-Y86 HydrophobicContact CG-CE1 3.7Å; Y86-K140 WeakPolarHBondContact O-CE 3.4Å; Y86-K140 PolarHBondContact O-NZ 3.46Å; Y86-C141 VanDerWaalsContact CA-O 3.24Å; Y86-C141 WeakPolarHBondContact CA-O 3.24Å; Y86-C141 WeakPolarHBondContact CB-O 3.4Å; Y86-C141 WeakPolarHBondContact CD2-O 3.34Å; Y86-D142 HydrophobicContact CD2-CB 3.98Å; Y86-D142 HydrophobicContact CE2-CB 4.26Å |
| 87 | S | 98.3 | Very high | 98.7 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | trans | -90.9 | 120.4 | -171.4 | -45.5 | 0 | 0 | 0 | 0 | 110.9 | D85 Q89 N90 L91 | D85-S87 WeakPolarHBondContact OD1-CB 3.39Å; D85-S87 PolarHBondContact OD1-N 2.86Å; D85-S87 PolarHBondContact OD1-OG 3.15Å; S87-Q89 VanDerWaalsContact C-N 3.25Å; S87-Q89 PolarHBondContact O-N 3.04Å; S87-N90 WeakPolarHBondContact O-CB 3.3Å; S87-N90 PolarHBondContact O-N 2.85Å; S87-L91 PolarHBondContact O-N 2.81Å | ||
| 88 | D | 98.3 | Very high | 98.7 | Very high | 69 Ų | 69 | 35.4 Ų | 35.4 | 37% | 0.369 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63 | -34.6 | -174.7 | -61.4 | -44.4 | 0 | 0 | 0 | 112 | N90 L91 Q92 K140 | D88-N90 VanDerWaalsContact C-N 3.3Å; D88-N90 PolarHBondContact O-N 2.78Å; D88-L91 PolarHBondContact O-N 3.06Å; D88-Q92 WeakPolarHBondContact O-CG 3.46Å; D88-Q92 PolarHBondContact O-N 2.79Å; D88-K140 IonicContact OD1-NZ 2.79Å; D88-K140 PolarHBondContact OD1-NZ 2.92Å; D88-K140 IonicContact OD2-NZ 2.94Å; D88-K140 PolarHBondContact OD2-NZ 2.76Å |
| 89 | Q | 98.3 | Very high | 98.7 | Very high | 41 Ų | 41 | 41.3 Ų | 41.3 | 19% | 0.192 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.8 | -28.6 | 176.6 | 62.8 | -91.1 | 42.6 | 0 | 0 | 113.6 | Y11 L12 F15 P17 S87 E93 | Y11-Q89 PolarHBondContact O-NE2 3.38Å; L12-Q89 PolarHBondContact O-NE2 2.97Å; L12-Q89 VanDerWaalsContact O-NE2 3.1Å; F15-Q89 WeakPolarHBondContact O-CG 3.37Å; F15-Q89 PolarHBondContact O-NE2 3.34Å; P17-Q89 HydrophobicContact CG-CB 3.87Å; P17-Q89 HydrophobicContact CG-CG 3.68Å; P17-Q89 WeakPolarHBondContact CG-O 3.5Å; S87-Q89 VanDerWaalsContact C-N 3.25Å; S87-Q89 PolarHBondContact O-N 3.04Å; Q89-E93 PolarHBondContact O-N 2.81Å; Q89-E93 VanDerWaalsContact O-N 3.08Å |
| 90 | N | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.4 | -44.7 | 174.7 | -77.7 | -16.7 | 0 | 0 | 0 | 110.6 | F15 P17 P66 D85 S87 D88 Q92 E93 L94 | F15-N90 WeakPolarHBondContact CD1-OD1 3.21Å; F15-N90 WeakPolarHBondContact CE1-OD1 3.49Å; P17-N90 WeakPolarHBondContact CG-OD1 3.43Å; P66-N90 HydrophobicContact CB-CB 4.47Å; P66-N90 WeakPolarHBondContact CD-OD1 3.46Å; D85-N90 HydrophobicContact CB-CB 4.31Å; D85-N90 WeakPolarHBondContact OD1-CB 3.37Å; D85-N90 PolarHBondContact OD1-ND2 3.09Å; S87-N90 WeakPolarHBondContact O-CB 3.3Å; S87-N90 PolarHBondContact O-N 2.85Å; D88-N90 VanDerWaalsContact C-N 3.3Å; D88-N90 PolarHBondContact O-N 2.78Å; N90-Q92 VanDerWaalsContact C-N 3.28Å; N90-Q92 PolarHBondContact O-N 2.91Å; N90-E93 PolarHBondContact O-N 2.82Å; N90-L94 PolarHBondContact O-N 2.73Å |
| 91 | L | 98.8 | Very high | 98.7 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 10% | 0.099 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.6 | -40.1 | 175.4 | -58.7 | -178.5 | 0 | 0 | 0 | 111.4 | D85 S87 D88 L94 E95 V138 K140 | D85-L91 HydrophobicContact CB-CD2 3.56Å; D85-L91 HydrophobicContact CB-CG 4.16Å; S87-L91 PolarHBondContact O-N 2.81Å; D88-L91 PolarHBondContact O-N 3.06Å; L91-L94 PolarHBondContact O-N 2.83Å; L91-E95 WeakPolarHBondContact O-CB 3.48Å; L91-E95 VanDerWaalsContact O-CG 3.27Å; L91-E95 WeakPolarHBondContact O-CG 3.4Å; L91-E95 PolarHBondContact O-N 2.95Å; L91-V138 HydrophobicContact CB-CG1 3.87Å; L91-V138 HydrophobicContact CD2-CG1 3.7Å; L91-V138 HydrophobicContact CG-CG1 4.26Å; L91-K140 HydrophobicContact CD1-CB 4.42Å |
| 92 | Q | 98.7 | Very high | 98.6 | Very high | 126 Ų | 126 | 46.3 Ų | 46.3 | 59% | 0.589 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -62.3 | -43.1 | 174.3 | -71.5 | 170.4 | 10.8 | 0 | 0 | 112.1 | D88 N90 E95 K96 | D88-Q92 WeakPolarHBondContact O-CG 3.46Å; D88-Q92 PolarHBondContact O-N 2.79Å; N90-Q92 VanDerWaalsContact C-N 3.28Å; N90-Q92 PolarHBondContact O-N 2.91Å; Q92-E95 WeakPolarHBondContact O-CB 3.45Å; Q92-E95 PolarHBondContact O-N 2.98Å; Q92-K96 WeakPolarHBondContact O-CG 3.42Å; Q92-K96 PolarHBondContact O-N 2.85Å |
| 93 | E | 98.8 | Very high | 98.4 | Very high | 15 Ų | 15 | 52.6 Ų | 52.6 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.7 | -36.6 | 178 | -165 | 67.4 | -167.3 | 0 | 0 | 112.2 | P17 R18 L21 P66 Q89 N90 K96 W97 | P17-E93 HydrophobicContact CB-CB 3.84Å; P17-E93 HydrophobicContact CB-CG 3.95Å; P17-E93 HydrophobicContact CG-CB 4.39Å; R18-E93 IonicContact NH1-OE1 3.03Å; R18-E93 PolarHBondContact NH1-OE1 2.9Å; L21-E93 HydrophobicContact CD1-CG 3.91Å; P66-E93 HydrophobicContact CB-CB 3.85Å; P66-E93 HydrophobicContact CB-CG 3.97Å; Q89-E93 PolarHBondContact O-N 2.81Å; Q89-E93 VanDerWaalsContact O-N 3.08Å; N90-E93 PolarHBondContact O-N 2.82Å; E93-K96 PolarHBondContact O-N 3.34Å; E93-K96 WeakPolarHBondContact OE2-CD 3.19Å; E93-K96 WeakPolarHBondContact OE2-CE 3.24Å; E93-K96 IonicContact OE2-NZ 2.64Å; E93-K96 PolarHBondContact OE2-NZ 3.18Å; E93-W97 PolarHBondContact O-N 3.45Å |
| 94 | L | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 170.3 | -77.9 | 174.6 | 0 | 0 | 0 | 111.9 | G65 T67 I68 V83 N90 L91 K96 W97 L98 | G65-L94 WeakPolarHBondContact O-CD1 3.3Å; G65-L94 WeakPolarHBondContact O-CG 3.5Å; T67-L94 WeakPolarHBondContact O-CD2 3.48Å; I68-L94 HydrophobicContact CG2-CD2 3.67Å; V83-L94 HydrophobicContact CB-CD1 4.32Å; V83-L94 HydrophobicContact CG2-CD1 4.05Å; N90-L94 PolarHBondContact O-N 2.73Å; L91-L94 PolarHBondContact O-N 2.83Å; L94-K96 VanDerWaalsContact C-N 3.3Å; L94-K96 PolarHBondContact O-N 3.25Å; L94-W97 PolarHBondContact O-N 2.83Å; L94-W97 VanDerWaalsContact O-N 3.12Å; L94-L98 WeakPolarHBondContact O-CG 3.33Å; L94-L98 PolarHBondContact O-N 2.71Å |
| 95 | E | 98.8 | Very high | 98.3 | Very high | 57 Ų | 57 | 54.5 Ų | 54.5 | 27% | 0.266 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59 | -39.2 | 179.3 | -79.3 | -80 | 179.7 | 0 | 0 | 112.2 | L91 Q92 W97 L98 K99 V138 | L91-E95 WeakPolarHBondContact O-CB 3.48Å; L91-E95 VanDerWaalsContact O-CG 3.27Å; L91-E95 WeakPolarHBondContact O-CG 3.4Å; L91-E95 PolarHBondContact O-N 2.95Å; Q92-E95 WeakPolarHBondContact O-CB 3.45Å; Q92-E95 PolarHBondContact O-N 2.98Å; E95-W97 VanDerWaalsContact C-N 3.32Å; E95-W97 PolarHBondContact O-N 2.93Å; E95-L98 PolarHBondContact O-N 3.18Å; E95-K99 VanDerWaalsContact O-CB 3.32Å; E95-K99 WeakPolarHBondContact O-CB 3.32Å; E95-K99 WeakPolarHBondContact O-CG 3.48Å; E95-K99 PolarHBondContact O-N 2.93Å; E95-K99 WeakPolarHBondContact OE2-CE 3.3Å; E95-K99 IonicContact OE2-NZ 2.68Å; E95-K99 PolarHBondContact OE2-NZ 3.33Å; E95-V138 HydrophobicContact CG-CB 4.42Å; E95-V138 HydrophobicContact CG-CG1 4.23Å; E95-V138 HydrophobicContact CG-CG2 4.22Å; E95-V138 WeakPolarHBondContact OE1-CB 3.44Å; E95-V138 VanDerWaalsContact OE1-CG2 3.29Å; E95-V138 WeakPolarHBondContact OE1-CG2 3.42Å |
| 96 | K | 98.8 | Very high | 98.3 | Very high | 51 Ų | 51 | 58.7 Ų | 58.7 | 22% | 0.222 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.6 | -47.6 | 173.6 | -67.6 | 177.5 | -172 | 169.8 | 0 | 111.5 | Q92 E93 L94 K99 K100 E101 A104 | Q92-K96 WeakPolarHBondContact O-CG 3.42Å; Q92-K96 PolarHBondContact O-N 2.85Å; E93-K96 PolarHBondContact O-N 3.34Å; E93-K96 WeakPolarHBondContact OE2-CD 3.19Å; E93-K96 WeakPolarHBondContact OE2-CE 3.24Å; E93-K96 IonicContact OE2-NZ 2.64Å; E93-K96 PolarHBondContact OE2-NZ 3.18Å; L94-K96 VanDerWaalsContact C-N 3.3Å; L94-K96 PolarHBondContact O-N 3.25Å; K96-K99 PolarHBondContact O-N 3.07Å; K96-K100 PolarHBondContact O-N 2.89Å; K96-K100 VanDerWaalsContact O-N 3.13Å; K96-E101 HydrophobicContact CB-CB 4.17Å; K96-E101 WeakPolarHBondContact CG-OE2 3.49Å; K96-E101 PolarHBondContact O-N 3.41Å; K96-A104 HydrophobicContact CB-CB 4.26Å |
| 97 | W | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 3% | 0.034 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.8 | -40.1 | 179.9 | -177.4 | 85.5 | 0 | 0 | 0 | 112.8 | I68 E93 L94 E95 K99 K100 A104 W107 E128 L131 R132 | I68-W97 HydrophobicContact CD1-CD2 3.75Å; I68-W97 HydrophobicContact CD1-CE3 3.97Å; I68-W97 HydrophobicContact CD1-CH2 3.48Å; I68-W97 VanDerWaalsContact CD1-CH2 3.48Å; I68-W97 HydrophobicContact CD1-CZ2 3.22Å; I68-W97 HydrophobicContact CD1-CZ3 3.84Å; I68-W97 HydrophobicContact CG2-CD2 4.4Å; I68-W97 HydrophobicContact CG2-CE3 3.93Å; I68-W97 HydrophobicContact CG2-CZ3 4.18Å; E93-W97 PolarHBondContact O-N 3.45Å; L94-W97 PolarHBondContact O-N 2.83Å; L94-W97 VanDerWaalsContact O-N 3.12Å; E95-W97 VanDerWaalsContact C-N 3.32Å; E95-W97 PolarHBondContact O-N 2.93Å; W97-K99 VanDerWaalsContact C-N 3.32Å; W97-K99 PolarHBondContact O-N 3.35Å; W97-K100 PolarHBondContact O-N 2.96Å; W97-A104 HydrophobicContact CB-CB 4.14Å; W97-W107 AromaticContact CD1-CD1 3.49Å; W97-W107 VanDerWaalsContact CD1-CD1 3.49Å; W97-W107 AromaticContact NE1-CD1 3.61Å; W97-E128 HydrophobicContact CH2-CB 4.29Å; W97-E128 HydrophobicContact CZ2-CB 3.87Å; W97-E128 HydrophobicContact CZ2-CG 3.95Å; W97-L131 HydrophobicContact CH2-CB 4.32Å; W97-L131 HydrophobicContact CH2-CD2 3.96Å; W97-L131 HydrophobicContact CH2-CG 4.16Å; W97-L131 HydrophobicContact CZ3-CD2 4.24Å; W97-L131 HydrophobicContact CZ3-CG 4.28Å; W97-R132 VanDerWaalsContact CE2-NH2 3.3Å; W97-R132 HydrophobicContact CE3-CG 4.16Å; W97-R132 HydrophobicContact CH2-CG 3.67Å; W97-R132 HydrophobicContact CZ2-CG 4.46Å; W97-R132 HydrophobicContact CZ3-CG 3.5Å; W97-R132 VanDerWaalsContact CZ3-CG 3.5Å; W97-R132 PolarHBondContact O-NE 3.42Å |
| 98 | L | 98.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 58.6 Ų | 58.6 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 176.2 | -70.3 | 168.8 | 0 | 0 | 0 | 111.7 | L94 E95 K100 R132 V135 V138 | L94-L98 WeakPolarHBondContact O-CG 3.33Å; L94-L98 PolarHBondContact O-N 2.71Å; E95-L98 PolarHBondContact O-N 3.18Å; L98-K100 VanDerWaalsContact C-N 3.31Å; L98-K100 PolarHBondContact O-N 3.37Å; L98-R132 HydrophobicContact CD2-CG 4.28Å; L98-R132 WeakPolarHBondContact O-CD 3.35Å; L98-V135 HydrophobicContact CD1-CG1 3.95Å; L98-V135 HydrophobicContact CD2-CB 3.91Å; L98-V135 HydrophobicContact CD2-CG1 4.06Å; L98-V135 HydrophobicContact CD2-CG2 4.14Å; L98-V138 HydrophobicContact CD1-CG2 3.52Å |
| 99 | K | 98.7 | Very high | 98.1 | Very high | 128 Ų | 128 | 57.6 Ų | 57.6 | 56% | 0.557 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -0 | 179.4 | -71.4 | 169.4 | 173.8 | 139.2 | 0 | 114.5 | E95 K96 W97 E101 | E95-K99 VanDerWaalsContact O-CB 3.32Å; E95-K99 WeakPolarHBondContact O-CB 3.32Å; E95-K99 WeakPolarHBondContact O-CG 3.48Å; E95-K99 PolarHBondContact O-N 2.93Å; E95-K99 WeakPolarHBondContact OE2-CE 3.3Å; E95-K99 IonicContact OE2-NZ 2.68Å; E95-K99 PolarHBondContact OE2-NZ 3.33Å; K96-K99 PolarHBondContact O-N 3.07Å; W97-K99 VanDerWaalsContact C-N 3.32Å; W97-K99 PolarHBondContact O-N 3.35Å; K99-E101 HydrophobicContact CB-CG 4.02Å; K99-E101 PolarHBondContact O-N 3.44Å |
| 100 | K | 98.6 | Very high | 98.1 | Very high | 124 Ų | 124 | 55.7 Ų | 55.7 | 54% | 0.539 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 38.6 | -176.7 | -54 | 177 | -178.4 | 176.5 | 0 | 112.2 | K96 W97 L98 E129 | K96-K100 PolarHBondContact O-N 2.89Å; K96-K100 VanDerWaalsContact O-N 3.13Å; W97-K100 PolarHBondContact O-N 2.96Å; L98-K100 VanDerWaalsContact C-N 3.31Å; L98-K100 PolarHBondContact O-N 3.37Å; K100-E129 VanDerWaalsContact CE-OE2 3.27Å; K100-E129 WeakPolarHBondContact CE-OE2 3.44Å; K100-E129 IonicContact NZ-OE2 3.46Å; K100-E129 PolarHBondContact NZ-OE2 3.3Å |
| 101 | E | 98.6 | Very high | 98.1 | Very high | 78 Ų | 78 | 55.6 Ų | 55.6 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | trans | -66.7 | 144.6 | 176 | -66.6 | -176.3 | -158.6 | 0 | 0 | 110.5 | K96 K99 E103 A104 | K96-E101 HydrophobicContact CB-CB 4.17Å; K96-E101 WeakPolarHBondContact CG-OE2 3.49Å; K96-E101 PolarHBondContact O-N 3.41Å; K99-E101 HydrophobicContact CB-CG 4.02Å; K99-E101 PolarHBondContact O-N 3.44Å; E101-E103 PolarHBondContact O-N 3.46Å; E101-E103 VanDerWaalsContact O-N 3.07Å; E101-A104 WeakPolarHBondContact O-CB 3.38Å; E101-A104 PolarHBondContact O-N 2.89Å | ||
| 102 | P | 96.6 | Very high | 98 | Very high | 140 Ų | 140 | 58 Ų | 58 | 91% | 0.909 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -25.2 | -176.1 | -26.4 | 34.9 | 0 | 0 | 0 | 115.1 | ||
| 103 | E | 95.5 | Very high | 98 | Very high | 137 Ų | 137 | 54.2 Ų | 54.2 | 64% | 0.64 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -5.2 | -178.8 | -58.4 | -173.6 | 158.1 | 0 | 0 | 113.4 | R18 E101 | R18-E103 PolarHBondContact NH1-O 3.36Å; E101-E103 PolarHBondContact O-N 3.46Å; E101-E103 VanDerWaalsContact O-N 3.07Å |
| 104 | A | 98.2 | Very high | 98 | Very high | 23 Ų | 23 | 53.6 Ų | 53.6 | 19% | 0.19 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -55 | 143.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K96 W97 E101 D106 | K96-A104 HydrophobicContact CB-CB 4.26Å; W97-A104 HydrophobicContact CB-CB 4.14Å; E101-A104 WeakPolarHBondContact O-CB 3.38Å; E101-A104 PolarHBondContact O-N 2.89Å; A104-D106 PolarHBondContact O-N 3.01Å |
| 105 | F | 98.1 | Very high | 97.9 | Very high | 20 Ų | 20 | 53.6 Ų | 53.6 | 9% | 0.088 | 28% | 0.279 | C | S | . | . | trans | -61 | 137.1 | 175.4 | -173.9 | -96.7 | 0 | 0 | 0 | 111.3 | L21 E22 W107 | L21-F105 HydrophobicContact CB-CD2 3.63Å; L21-F105 HydrophobicContact CB-CE1 4.49Å; L21-F105 HydrophobicContact CB-CE2 3.61Å; L21-F105 HydrophobicContact CB-CG 4.09Å; L21-F105 HydrophobicContact CB-CZ 4.05Å; L21-F105 HydrophobicContact CD1-CB 3.6Å; L21-F105 HydrophobicContact CD1-CD1 4.3Å; L21-F105 HydrophobicContact CD1-CD2 3.92Å; L21-F105 HydrophobicContact CD1-CG 3.69Å; L21-F105 HydrophobicContact CG-CD2 4.38Å; L21-F105 HydrophobicContact CG-CG 4.4Å; E22-F105 HydrophobicContact CG-CE2 4.35Å; F105-W107 AromaticContact CD1-CD1 3.78Å; F105-W107 AromaticContact CD1-CD2 3.82Å; F105-W107 HydrophobicContact CD1-CD2 3.82Å; F105-W107 AromaticContact CD1-CE2 3.55Å; F105-W107 HydrophobicContact CD1-CE3 4.5Å; F105-W107 AromaticContact CD1-CG 3.98Å; F105-W107 HydrophobicContact CD1-CG 3.98Å; F105-W107 HydrophobicContact CD1-CZ2 4.03Å; F105-W107 AromaticContact CD1-NE1 3.54Å; F105-W107 HydrophobicContact CE1-CD2 4.11Å; F105-W107 HydrophobicContact CE1-CE3 4.34Å; F105-W107 HydrophobicContact CE1-CZ2 4.32Å; F105-W107 PolarHBondContact O-N 2.87Å | ||
| 106 | D | 97.6 | Very high | 97.9 | Very high | 101 Ų | 101 | 54.8 Ų | 54.8 | 54% | 0.54 | 29% | 0.287 | S | S | . | . | trans | -79.9 | 100.2 | 179.3 | -179 | 17.1 | 0 | 0 | 0 | 110.7 | A104 S108 | A104-D106 PolarHBondContact O-N 3.01Å; D106-S108 VanDerWaalsContact C-N 3.33Å; D106-S108 WeakPolarHBondContact OD1-CB 3.31Å; D106-S108 PolarHBondContact OD1-N 2.7Å; D106-S108 PolarHBondContact OD1-OG 3.06Å | ||
| 107 | W | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 1% | 0.011 | 29% | 0.287 | C | S | . | . | trans | -86.4 | -0.1 | 175.4 | -71.8 | 97.8 | 0 | 0 | 0 | 113.5 | L21 Y25 T67 I68 W97 F105 P109 V110 V111 | L21-W107 HydrophobicContact CD2-CH2 3.86Å; L21-W107 HydrophobicContact CD2-CZ2 3.46Å; L21-W107 VanDerWaalsContact CD2-CZ2 3.46Å; Y25-W107 AromaticContact CD1-CH2 3.91Å; Y25-W107 HydrophobicContact CD1-CH2 3.91Å; Y25-W107 HydrophobicContact CD1-CZ3 4.04Å; Y25-W107 HydrophobicContact CD2-CH2 4.46Å; Y25-W107 AromaticContact CG-CH2 3.77Å; Y25-W107 HydrophobicContact CG-CH2 3.77Å; Y25-W107 HydrophobicContact CG-CZ3 4.14Å; T67-W107 HydrophobicContact CG2-CH2 4.03Å; T67-W107 HydrophobicContact CG2-CZ2 4.28Å; I68-W107 HydrophobicContact CD1-CB 3.91Å; I68-W107 HydrophobicContact CD1-CD2 4.04Å; I68-W107 HydrophobicContact CD1-CG 3.6Å; I68-W107 HydrophobicContact CG1-CB 4.39Å; I68-W107 HydrophobicContact CG1-CD2 3.52Å; I68-W107 HydrophobicContact CG1-CE3 4.11Å; I68-W107 HydrophobicContact CG1-CG 3.63Å; I68-W107 HydrophobicContact CG1-CZ2 4.23Å; W97-W107 AromaticContact CD1-CD1 3.49Å; W97-W107 VanDerWaalsContact CD1-CD1 3.49Å; W97-W107 AromaticContact NE1-CD1 3.61Å; F105-W107 AromaticContact CD1-CD1 3.78Å; F105-W107 AromaticContact CD1-CD2 3.82Å; F105-W107 HydrophobicContact CD1-CD2 3.82Å; F105-W107 AromaticContact CD1-CE2 3.55Å; F105-W107 HydrophobicContact CD1-CE3 4.5Å; F105-W107 AromaticContact CD1-CG 3.98Å; F105-W107 HydrophobicContact CD1-CG 3.98Å; F105-W107 HydrophobicContact CD1-CZ2 4.03Å; F105-W107 AromaticContact CD1-NE1 3.54Å; F105-W107 HydrophobicContact CE1-CD2 4.11Å; F105-W107 HydrophobicContact CE1-CE3 4.34Å; F105-W107 HydrophobicContact CE1-CZ2 4.32Å; F105-W107 PolarHBondContact O-N 2.87Å; W107-P109 VanDerWaalsContact C-CD 3.45Å; W107-V110 HydrophobicContact CE3-CB 4.03Å; W107-V110 HydrophobicContact CE3-CG1 4.18Å; W107-V110 HydrophobicContact CE3-CG2 4.01Å; W107-V110 HydrophobicContact CZ3-CG2 4.28Å; W107-V110 WeakPolarHBondContact O-CB 3.47Å; W107-V110 PolarHBondContact O-N 2.7Å; W107-V111 HydrophobicContact CB-CG2 4.13Å; W107-V111 WeakPolarHBondContact O-CG2 3.32Å; W107-V111 PolarHBondContact O-N 3.35Å | ||
| 108 | S | 97.3 | Very high | 97.7 | Very high | 50 Ų | 50 | 54.9 Ų | 54.9 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -52.6 | -42.4 | -172.3 | -53.6 | 0 | 0 | 0 | 0 | 114.2 | D106 V110 V111 T112 | D106-S108 VanDerWaalsContact C-N 3.33Å; D106-S108 WeakPolarHBondContact OD1-CB 3.31Å; D106-S108 PolarHBondContact OD1-N 2.7Å; D106-S108 PolarHBondContact OD1-OG 3.06Å; S108-V110 VanDerWaalsContact C-N 3.34Å; S108-V110 PolarHBondContact O-N 3.2Å; S108-V111 PolarHBondContact O-N 3.38Å; S108-T112 WeakPolarHBondContact O-CB 3.09Å; S108-T112 PolarHBondContact O-N 3.13Å; S108-T112 PolarHBondContact O-OG1 3.02Å |
| 109 | P | 96.7 | Very high | 97.6 | Very high | 48 Ų | 48 | 55.9 Ų | 55.9 | 31% | 0.312 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 178.7 | -22.1 | 34.9 | 0 | 0 | 0 | 112.9 | F27 W107 Y113 | F27-P109 HydrophobicContact CB-CB 4.17Å; F27-P109 HydrophobicContact CD1-CB 4.01Å; F27-P109 WeakPolarHBondContact O-CB 3.46Å; F27-P109 WeakPolarHBondContact O-CG 3.46Å; W107-P109 VanDerWaalsContact C-CD 3.45Å; P109-Y113 PolarHBondContact O-N 2.87Å; P109-Y113 VanDerWaalsContact O-N 3.15Å |
| 110 | V | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.9 | -45 | 178 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | F27 L38 L42 L72 W107 S108 T112 Y113 V114 | F27-V110 HydrophobicContact CB-CG2 3.51Å; F27-V110 HydrophobicContact CD1-CG2 4.2Å; F27-V110 HydrophobicContact CD2-CG2 4.44Å; F27-V110 HydrophobicContact CG-CG2 3.83Å; L38-V110 HydrophobicContact CD2-CG2 3.89Å; L42-V110 HydrophobicContact CD1-CG1 3.9Å; L42-V110 HydrophobicContact CD2-CG1 4.14Å; L72-V110 HydrophobicContact CD1-CG1 3.75Å; W107-V110 HydrophobicContact CE3-CB 4.03Å; W107-V110 HydrophobicContact CE3-CG1 4.18Å; W107-V110 HydrophobicContact CE3-CG2 4.01Å; W107-V110 HydrophobicContact CZ3-CG2 4.28Å; W107-V110 WeakPolarHBondContact O-CB 3.47Å; W107-V110 PolarHBondContact O-N 2.7Å; S108-V110 VanDerWaalsContact C-N 3.34Å; S108-V110 PolarHBondContact O-N 3.2Å; V110-T112 VanDerWaalsContact C-N 3.29Å; V110-T112 PolarHBondContact O-N 2.99Å; V110-Y113 WeakPolarHBondContact O-CB 3.39Å; V110-Y113 PolarHBondContact O-N 3.22Å; V110-V114 PolarHBondContact O-N 2.95Å |
| 111 | V | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 175.4 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | L72 W107 S108 Y113 V114 C115 K127 E128 | L72-V111 HydrophobicContact CD1-CG2 4.26Å; L72-V111 HydrophobicContact CD2-CG2 3.85Å; W107-V111 HydrophobicContact CB-CG2 4.13Å; W107-V111 WeakPolarHBondContact O-CG2 3.32Å; W107-V111 PolarHBondContact O-N 3.35Å; S108-V111 PolarHBondContact O-N 3.38Å; V111-Y113 VanDerWaalsContact C-N 3.33Å; V111-Y113 PolarHBondContact O-N 3.35Å; V111-V114 PolarHBondContact O-N 2.96Å; V111-C115 PolarHBondContact O-N 2.74Å; V111-C115 PolarHBondContact O-SG 2.79Å; V111-C115 VanDerWaalsContact O-SG 3.39Å; V111-K127 HydrophobicContact CG1-CB 4.07Å; V111-K127 HydrophobicContact CG1-CG 3.93Å; V111-E128 HydrophobicContact CB-CG 4.43Å; V111-E128 HydrophobicContact CG1-CG 3.96Å; V111-E128 HydrophobicContact CG2-CG 3.78Å |
| 112 | T | 97.2 | Very high | 96.1 | Very high | 71 Ų | 71 | 55.9 Ų | 55.9 | 44% | 0.436 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 178.7 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | S108 V110 V114 C115 D116 | S108-T112 WeakPolarHBondContact O-CB 3.09Å; S108-T112 PolarHBondContact O-N 3.13Å; S108-T112 PolarHBondContact O-OG1 3.02Å; V110-T112 VanDerWaalsContact C-N 3.29Å; V110-T112 PolarHBondContact O-N 2.99Å; T112-V114 VanDerWaalsContact C-N 3.34Å; T112-V114 PolarHBondContact O-N 2.67Å; T112-C115 PolarHBondContact O-N 2.67Å; T112-D116 PolarHBondContact O-N 3.31Å |
| 113 | Y | 97.4 | Very high | 95.9 | Very high | 46 Ų | 46 | 55 Ų | 55 | 18% | 0.18 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59 | -43.7 | 176.5 | -167.9 | -99.1 | 0 | 0 | 0 | 112.6 | F27 K39 L42 E43 P109 V110 V111 D116 L117 | F27-Y113 AromaticContact CE1-CD2 3.9Å; F27-Y113 HydrophobicContact CE1-CD2 3.9Å; F27-Y113 AromaticContact CE1-CG 3.85Å; F27-Y113 HydrophobicContact CE1-CG 3.85Å; F27-Y113 HydrophobicContact CZ-CD1 4.24Å; F27-Y113 AromaticContact CZ-CD2 3.85Å; F27-Y113 HydrophobicContact CZ-CD2 3.85Å; F27-Y113 HydrophobicContact CZ-CE2 4.33Å; F27-Y113 AromaticContact CZ-CG 3.8Å; F27-Y113 HydrophobicContact CZ-CG 3.8Å; K39-Y113 HydrophobicContact CB-CE1 4.2Å; K39-Y113 HydrophobicContact CD-CE2 4.14Å; K39-Y113 HydrophobicContact CG-CE1 4.02Å; K39-Y113 HydrophobicContact CG-CE2 4.04Å; L42-Y113 HydrophobicContact CB-CD1 4.15Å; L42-Y113 HydrophobicContact CB-CE1 4.26Å; L42-Y113 HydrophobicContact CD1-CD1 3.66Å; L42-Y113 HydrophobicContact CD1-CE1 4.33Å; L42-Y113 HydrophobicContact CD1-CG 4.44Å; E43-Y113 HydrophobicContact CG-CE1 4.47Å; E43-Y113 PolarHBondContact OE1-OH 3.45Å; P109-Y113 PolarHBondContact O-N 2.87Å; P109-Y113 VanDerWaalsContact O-N 3.15Å; V110-Y113 WeakPolarHBondContact O-CB 3.39Å; V110-Y113 PolarHBondContact O-N 3.22Å; V111-Y113 VanDerWaalsContact C-N 3.33Å; V111-Y113 PolarHBondContact O-N 3.35Å; Y113-D116 WeakPolarHBondContact O-CB 3.36Å; Y113-D116 PolarHBondContact O-N 3.34Å; Y113-L117 HydrophobicContact CD1-CD1 3.85Å; Y113-L117 HydrophobicContact CD1-CG 4.17Å; Y113-L117 HydrophobicContact CE1-CD1 3.68Å; Y113-L117 HydrophobicContact CE1-CD2 4.25Å; Y113-L117 HydrophobicContact CE1-CG 4Å; Y113-L117 WeakPolarHBondContact O-CG 3.44Å; Y113-L117 PolarHBondContact O-N 3.08Å |
| 114 | V | 98.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 177.6 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | L42 L72 S73 V110 V111 T112 D116 L117 E118 | L42-V114 HydrophobicContact CB-CG2 4.39Å; L42-V114 HydrophobicContact CD1-CG2 4.26Å; L42-V114 HydrophobicContact CD2-CG2 3.6Å; L42-V114 HydrophobicContact CG-CG2 4.28Å; L72-V114 HydrophobicContact CB-CB 4.19Å; L72-V114 HydrophobicContact CB-CG1 3.86Å; L72-V114 HydrophobicContact CB-CG2 4Å; L72-V114 HydrophobicContact CD1-CB 4.29Å; L72-V114 HydrophobicContact CD1-CG2 3.72Å; S73-V114 WeakPolarHBondContact OG-CG1 3.35Å; V110-V114 PolarHBondContact O-N 2.95Å; V111-V114 PolarHBondContact O-N 2.96Å; T112-V114 VanDerWaalsContact C-N 3.34Å; T112-V114 PolarHBondContact O-N 2.67Å; V114-D116 PolarHBondContact O-N 3.4Å; V114-L117 WeakPolarHBondContact O-CB 3.2Å; V114-L117 PolarHBondContact O-N 2.95Å; V114-E118 HydrophobicContact CG1-CG 4.33Å; V114-E118 WeakPolarHBondContact CG1-OE1 3.32Å; V114-E118 WeakPolarHBondContact O-CB 3.14Å; V114-E118 WeakPolarHBondContact O-CG 3.44Å; V114-E118 PolarHBondContact O-N 3.27Å |
| 115 | C | 98.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.7 | -37.7 | 174.2 | -69.9 | 0 | 0 | 0 | 0 | 111.8 | V111 T112 E118 G119 N120 | V111-C115 PolarHBondContact O-N 2.74Å; V111-C115 PolarHBondContact O-SG 2.79Å; V111-C115 VanDerWaalsContact O-SG 3.39Å; T112-C115 PolarHBondContact O-N 2.67Å; C115-E118 PolarHBondContact O-N 2.93Å; C115-G119 PolarHBondContact O-N 3.02Å; C115-N120 WeakPolarHBondContact O-CA 3.34Å; C115-N120 PolarHBondContact O-N 3.22Å |
| 116 | D | 97.3 | Very high | 95.9 | Very high | 82 Ų | 82 | 57.3 Ų | 57.3 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.6 | -46 | 175.2 | -71.4 | -26 | 0 | 0 | 0 | 111.7 | T112 Y113 V114 E118 G119 N120 | T112-D116 PolarHBondContact O-N 3.31Å; Y113-D116 WeakPolarHBondContact O-CB 3.36Å; Y113-D116 PolarHBondContact O-N 3.34Å; V114-D116 PolarHBondContact O-N 3.4Å; D116-E118 VanDerWaalsContact C-N 3.26Å; D116-E118 PolarHBondContact O-N 3.41Å; D116-G119 PolarHBondContact O-N 3.17Å; D116-N120 PolarHBondContact OD1-ND2 2.72Å; D116-N120 PolarHBondContact OD1-OD1 2.89Å |
| 117 | L | 97.6 | Very high | 95.9 | Very high | 45 Ų | 45 | 52.5 Ų | 52.5 | 24% | 0.236 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.2 | -40.2 | 174.5 | -70.4 | 176.1 | 0 | 0 | 0 | 111.9 | L42 E43 F46 Y113 V114 G119 | L42-L117 HydrophobicContact CB-CD1 4.2Å; E43-L117 HydrophobicContact CG-CD1 4.07Å; E43-L117 HydrophobicContact CG-CD2 3.88Å; F46-L117 HydrophobicContact CB-CB 4.5Å; F46-L117 HydrophobicContact CB-CD1 4.22Å; F46-L117 HydrophobicContact CD1-CB 4.29Å; F46-L117 HydrophobicContact CD2-CB 4.45Å; F46-L117 HydrophobicContact CG-CB 4.15Å; F46-L117 WeakPolarHBondContact CZ-O 3.37Å; Y113-L117 HydrophobicContact CD1-CD1 3.85Å; Y113-L117 HydrophobicContact CD1-CG 4.17Å; Y113-L117 HydrophobicContact CE1-CD1 3.68Å; Y113-L117 HydrophobicContact CE1-CD2 4.25Å; Y113-L117 HydrophobicContact CE1-CG 4Å; Y113-L117 WeakPolarHBondContact O-CG 3.44Å; Y113-L117 PolarHBondContact O-N 3.08Å; V114-L117 WeakPolarHBondContact O-CB 3.2Å; V114-L117 PolarHBondContact O-N 2.95Å; L117-G119 PolarHBondContact O-N 2.81Å |
| 118 | E | 97.3 | Very high | 96 | Very high | 18 Ų | 18 | 53.7 Ų | 53.7 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 6.3 | 179.1 | -67.8 | 174.4 | -178.3 | 0 | 0 | 113.6 | F46 S73 V114 C115 D116 K127 | F46-E118 HydrophobicContact CD2-CG 3.71Å; F46-E118 HydrophobicContact CE2-CB 4.42Å; F46-E118 HydrophobicContact CE2-CG 3.83Å; S73-E118 WeakPolarHBondContact CA-OE1 3.49Å; S73-E118 PolarHBondContact OG-OE1 3.13Å; V114-E118 HydrophobicContact CG1-CG 4.33Å; V114-E118 WeakPolarHBondContact CG1-OE1 3.32Å; V114-E118 WeakPolarHBondContact O-CB 3.14Å; V114-E118 WeakPolarHBondContact O-CG 3.44Å; V114-E118 PolarHBondContact O-N 3.27Å; C115-E118 PolarHBondContact O-N 2.93Å; D116-E118 VanDerWaalsContact C-N 3.26Å; D116-E118 PolarHBondContact O-N 3.41Å; E118-K127 VanDerWaalsContact CD-NZ 3.27Å; E118-K127 IonicContact OE1-NZ 2.77Å; E118-K127 PolarHBondContact OE1-NZ 3.4Å; E118-K127 WeakPolarHBondContact OE2-CE 3.14Å; E118-K127 IonicContact OE2-NZ 2.7Å; E118-K127 PolarHBondContact OE2-NZ 3.14Å |
| 119 | G | 96.1 | Very high | 96 | Very high | 53 Ų | 53 | 54.2 Ų | 54.2 | 55% | 0.546 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 27.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | C115 D116 L117 R121 | C115-G119 PolarHBondContact O-N 3.02Å; D116-G119 PolarHBondContact O-N 3.17Å; L117-G119 PolarHBondContact O-N 2.81Å; G119-R121 PolarHBondContact O-N 3.43Å; G119-R121 VanDerWaalsContact O-N 3.13Å |
| 120 | N | 91 | Very high | 96.1 | Very high | 73 Ų | 73 | 55.6 Ų | 55.6 | 39% | 0.39 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 58.3 | 26.6 | 173.2 | -91.3 | -65.9 | 0 | 0 | 0 | 115.1 | C115 D116 V122 | C115-N120 WeakPolarHBondContact O-CA 3.34Å; C115-N120 PolarHBondContact O-N 3.22Å; D116-N120 PolarHBondContact OD1-ND2 2.72Å; D116-N120 PolarHBondContact OD1-OD1 2.89Å; N120-V122 VanDerWaalsContact C-N 3.29Å; N120-V122 PolarHBondContact O-N 2.96Å |
| 121 | R | 85 | Confident | 96.2 | Very high | 220 Ų | 220 | 55.6 Ų | 55.6 | 83% | 0.83 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -67.8 | -30.3 | -179.8 | -62.5 | 178 | -175 | 179.3 | 3 | 113 | G119 | G119-R121 PolarHBondContact O-N 3.43Å; G119-R121 VanDerWaalsContact O-N 3.13Å |
| 122 | V | 88.9 | Confident | 96.2 | Very high | 36 Ų | 36 | 57.2 Ų | 57.2 | 22% | 0.218 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -127.5 | 147.6 | 175.9 | -74.4 | 0 | 0 | 0 | 0 | 109.4 | N120 E126 K127 | N120-V122 VanDerWaalsContact C-N 3.29Å; N120-V122 PolarHBondContact O-N 2.96Å; V122-E126 HydrophobicContact CB-CB 4.39Å; V122-K127 HydrophobicContact CG2-CB 4.4Å |
| 123 | K | 92.4 | Very high | 96.2 | Very high | 121 Ų | 121 | 59.3 Ų | 59.3 | 53% | 0.526 | 30% | 0.298 | S | S | . | . | trans | -88.8 | 159.8 | 175.9 | -63.5 | -59.1 | 179.8 | -170 | 0 | 111.1 | E126 K127 | K123-E126 PolarHBondContact N-OE2 2.75Å; K123-E126 WeakPolarHBondContact O-CB 3.47Å; K123-E126 PolarHBondContact O-N 3.29Å; K123-K127 PolarHBondContact O-N 2.97Å | ||
| 124 | G | 95.5 | Very high | 96.3 | Very high | 14 Ų | 14 | 57.5 Ų | 57.5 | 14% | 0.144 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -47 | -51.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E126 K127 E128 | G124-E126 VanDerWaalsContact C-N 3.29Å; G124-E126 PolarHBondContact O-N 3.29Å; G124-K127 WeakPolarHBondContact O-CB 3.45Å; G124-K127 PolarHBondContact O-N 3.1Å; G124-K127 VanDerWaalsContact O-N 3.15Å; G124-E128 WeakPolarHBondContact O-CG 3.33Å; G124-E128 PolarHBondContact O-N 3.03Å |
| 125 | P | 96.9 | Very high | 96.3 | Very high | 103 Ų | 103 | 58.3 Ų | 58.3 | 67% | 0.669 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -58.4 | -36.5 | 178.7 | -27.3 | 36.1 | 0 | 0 | 0 | 114.4 | E129 | P125-E129 WeakPolarHBondContact O-CB 3.43Å; P125-E129 PolarHBondContact O-N 2.89Å |
| 126 | E | 98.1 | Very high | 96.4 | Very high | 113 Ų | 113 | 63.5 Ų | 63.5 | 53% | 0.528 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.6 | -42 | 177.8 | -63.8 | 172.8 | 173.9 | 0 | 0 | 111.2 | V122 K123 G124 E129 K130 | V122-E126 HydrophobicContact CB-CB 4.39Å; K123-E126 PolarHBondContact N-OE2 2.75Å; K123-E126 WeakPolarHBondContact O-CB 3.47Å; K123-E126 PolarHBondContact O-N 3.29Å; G124-E126 VanDerWaalsContact C-N 3.29Å; G124-E126 PolarHBondContact O-N 3.29Å; E126-E129 PolarHBondContact O-N 2.86Å; E126-K130 VanDerWaalsContact O-CB 3.3Å; E126-K130 WeakPolarHBondContact O-CB 3.49Å; E126-K130 PolarHBondContact O-N 2.88Å |
| 127 | K | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 175.1 | 170.8 | 61.2 | 68.5 | 164.5 | 0 | 111.3 | L72 E76 V111 E118 V122 K123 G124 K130 L131 | L72-K127 HydrophobicContact CD2-CD 4.4Å; L72-K127 HydrophobicContact CD2-CG 4.1Å; L72-K127 WeakPolarHBondContact O-CD 3.47Å; L72-K127 PolarHBondContact O-NZ 2.8Å; E76-K127 IonicContact OE1-NZ 3.15Å; E76-K127 PolarHBondContact OE1-NZ 2.57Å; V111-K127 HydrophobicContact CG1-CB 4.07Å; V111-K127 HydrophobicContact CG1-CG 3.93Å; E118-K127 VanDerWaalsContact CD-NZ 3.27Å; E118-K127 IonicContact OE1-NZ 2.77Å; E118-K127 PolarHBondContact OE1-NZ 3.4Å; E118-K127 WeakPolarHBondContact OE2-CE 3.14Å; E118-K127 IonicContact OE2-NZ 2.7Å; E118-K127 PolarHBondContact OE2-NZ 3.14Å; V122-K127 HydrophobicContact CG2-CB 4.4Å; K123-K127 PolarHBondContact O-N 2.97Å; G124-K127 WeakPolarHBondContact O-CB 3.45Å; G124-K127 PolarHBondContact O-N 3.1Å; G124-K127 VanDerWaalsContact O-N 3.15Å; K127-K130 PolarHBondContact O-N 3.32Å; K127-L131 PolarHBondContact O-N 3.42Å |
| 128 | E | 98.8 | Very high | 96.5 | Very high | 27 Ų | 27 | 62.4 Ų | 62.4 | 13% | 0.126 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 178.8 | -64.3 | -172.6 | -174.2 | 0 | 0 | 111.9 | W97 V111 G124 K130 L131 R132 | W97-E128 HydrophobicContact CH2-CB 4.29Å; W97-E128 HydrophobicContact CZ2-CB 3.87Å; W97-E128 HydrophobicContact CZ2-CG 3.95Å; V111-E128 HydrophobicContact CB-CG 4.43Å; V111-E128 HydrophobicContact CG1-CG 3.96Å; V111-E128 HydrophobicContact CG2-CG 3.78Å; G124-E128 WeakPolarHBondContact O-CG 3.33Å; G124-E128 PolarHBondContact O-N 3.03Å; E128-K130 VanDerWaalsContact C-N 3.31Å; E128-K130 PolarHBondContact O-N 2.92Å; E128-L131 PolarHBondContact O-N 3.02Å; E128-R132 WeakPolarHBondContact O-CG 3.28Å; E128-R132 PolarHBondContact O-N 3.12Å; E128-R132 IonicContact OE2-CZ 2.72Å; E128-R132 IonicContact OE2-NH1 2.78Å; E128-R132 PolarHBondContact OE2-NH1 2.84Å; E128-R132 IonicContact OE2-NH2 3.67Å; E128-R132 PolarHBondContact OE2-NH2 3.17Å |
| 129 | E | 98.7 | Very high | 96.5 | Very high | 62 Ų | 62 | 63 Ų | 63 | 29% | 0.29 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 178.5 | -175.5 | 57.6 | -153 | 0 | 0 | 111.4 | K100 P125 E126 L131 R132 Q133 | K100-E129 VanDerWaalsContact CE-OE2 3.27Å; K100-E129 WeakPolarHBondContact CE-OE2 3.44Å; K100-E129 IonicContact NZ-OE2 3.46Å; K100-E129 PolarHBondContact NZ-OE2 3.3Å; P125-E129 WeakPolarHBondContact O-CB 3.43Å; P125-E129 PolarHBondContact O-N 2.89Å; E126-E129 PolarHBondContact O-N 2.86Å; E129-L131 PolarHBondContact O-N 2.95Å; E129-R132 PolarHBondContact O-N 3.28Å; E129-Q133 WeakPolarHBondContact O-CB 3.3Å; E129-Q133 VanDerWaalsContact O-CG 3.3Å; E129-Q133 WeakPolarHBondContact O-CG 3.44Å; E129-Q133 PolarHBondContact O-N 2.96Å; E129-Q133 PolarHBondContact OE1-NE2 3.33Å |
| 130 | K | 98.7 | Very high | 96.6 | Very high | 77 Ų | 77 | 64.9 Ų | 64.9 | 34% | 0.335 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.9 | -46 | 174.5 | -178.2 | 172.9 | 178 | 178.4 | 0 | 111.9 | C75 E76 E126 K127 E128 Q133 A134 | C75-K130 WeakPolarHBondContact O-CE 3.41Å; E76-K130 WeakPolarHBondContact OE1-CD 3.15Å; E76-K130 VanDerWaalsContact OE1-CE 3.28Å; E76-K130 WeakPolarHBondContact OE1-CE 3.46Å; E76-K130 IonicContact OE1-NZ 2.69Å; E76-K130 PolarHBondContact OE1-NZ 2.91Å; E76-K130 IonicContact OE2-NZ 3.32Å; E76-K130 PolarHBondContact OE2-NZ 3.01Å; E126-K130 VanDerWaalsContact O-CB 3.3Å; E126-K130 WeakPolarHBondContact O-CB 3.49Å; E126-K130 PolarHBondContact O-N 2.88Å; K127-K130 PolarHBondContact O-N 3.32Å; E128-K130 VanDerWaalsContact C-N 3.31Å; E128-K130 PolarHBondContact O-N 2.92Å; K130-Q133 PolarHBondContact O-N 2.8Å; K130-A134 WeakPolarHBondContact O-CB 3.48Å; K130-A134 PolarHBondContact O-N 3.29Å |
| 131 | L | 98.9 | Very high | 97 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 176.5 | 175.6 | 57 | 0 | 0 | 0 | 111.6 | I68 L71 L72 C75 I81 W97 K127 E128 E129 Q133 A134 V135 | I68-L131 HydrophobicContact CB-CD2 4.07Å; I68-L131 HydrophobicContact CD1-CD2 4.13Å; L71-L131 HydrophobicContact CB-CD1 3.55Å; L71-L131 HydrophobicContact CB-CD2 4.02Å; L71-L131 HydrophobicContact CB-CG 4.47Å; L71-L131 HydrophobicContact CD1-CD1 4.38Å; L72-L131 HydrophobicContact CD2-CD2 3.82Å; L72-L131 HydrophobicContact CG-CD2 4.38Å; C75-L131 HydrophobicContact CB-CB 4.35Å; C75-L131 HydrophobicContact CB-CD1 3.97Å; I81-L131 HydrophobicContact CD1-CD1 3.9Å; W97-L131 HydrophobicContact CH2-CB 4.32Å; W97-L131 HydrophobicContact CH2-CD2 3.96Å; W97-L131 HydrophobicContact CH2-CG 4.16Å; W97-L131 HydrophobicContact CZ3-CD2 4.24Å; W97-L131 HydrophobicContact CZ3-CG 4.28Å; K127-L131 PolarHBondContact O-N 3.42Å; E128-L131 PolarHBondContact O-N 3.02Å; E129-L131 PolarHBondContact O-N 2.95Å; L131-Q133 PolarHBondContact O-N 3.14Å; L131-A134 PolarHBondContact O-N 2.91Å; L131-A134 VanDerWaalsContact O-N 3.07Å; L131-V135 HydrophobicContact CD1-CG2 4.07Å; L131-V135 WeakPolarHBondContact O-CG2 3.35Å; L131-V135 PolarHBondContact O-N 2.89Å |
| 132 | R | 98.8 | Very high | 97.6 | Very high | 35 Ų | 35 | 52.2 Ų | 52.2 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.1 | -40.8 | 176 | -71.6 | -177.7 | -174.2 | 100 | 5.5 | 111.8 | W97 L98 E128 E129 | W97-R132 VanDerWaalsContact CE2-NH2 3.3Å; W97-R132 HydrophobicContact CE3-CG 4.16Å; W97-R132 HydrophobicContact CH2-CG 3.67Å; W97-R132 HydrophobicContact CZ2-CG 4.46Å; W97-R132 HydrophobicContact CZ3-CG 3.5Å; W97-R132 VanDerWaalsContact CZ3-CG 3.5Å; W97-R132 PolarHBondContact O-NE 3.42Å; L98-R132 HydrophobicContact CD2-CG 4.28Å; L98-R132 WeakPolarHBondContact O-CD 3.35Å; E128-R132 WeakPolarHBondContact O-CG 3.28Å; E128-R132 PolarHBondContact O-N 3.12Å; E128-R132 IonicContact OE2-CZ 2.72Å; E128-R132 IonicContact OE2-NH1 2.78Å; E128-R132 PolarHBondContact OE2-NH1 2.84Å; E128-R132 IonicContact OE2-NH2 3.67Å; E128-R132 PolarHBondContact OE2-NH2 3.17Å; E129-R132 PolarHBondContact O-N 3.28Å |
| 133 | Q | 98.8 | Very high | 98.1 | Very high | 115 Ų | 115 | 50.9 Ų | 50.9 | 54% | 0.537 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -71.6 | -33.3 | 177 | -71.2 | 175.9 | 10.4 | 0 | 0 | 113.1 | E129 K130 L131 K136 | E129-Q133 WeakPolarHBondContact O-CB 3.3Å; E129-Q133 VanDerWaalsContact O-CG 3.3Å; E129-Q133 WeakPolarHBondContact O-CG 3.44Å; E129-Q133 PolarHBondContact O-N 2.96Å; E129-Q133 PolarHBondContact OE1-NE2 3.33Å; K130-Q133 PolarHBondContact O-N 2.8Å; L131-Q133 PolarHBondContact O-N 3.14Å; Q133-K136 WeakPolarHBondContact O-CE 3.27Å; Q133-K136 PolarHBondContact O-NZ 3.26Å |
| 134 | A | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.3 | -35.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | C75 E80 I81 K130 L131 K136 | C75-A134 HydrophobicContact CB-CB 4.1Å; E80-A134 WeakPolarHBondContact CA-O 3.18Å; I81-A134 HydrophobicContact CD1-CB 4.04Å; I81-A134 HydrophobicContact CG1-CB 4.28Å; I81-A134 PolarHBondContact N-O 3.3Å; K130-A134 WeakPolarHBondContact O-CB 3.48Å; K130-A134 PolarHBondContact O-N 3.29Å; L131-A134 PolarHBondContact O-N 2.91Å; L131-A134 VanDerWaalsContact O-N 3.07Å; A134-K136 WeakPolarHBondContact O-CG 3.41Å; A134-K136 PolarHBondContact O-N 3.46Å |
| 135 | V | 98.8 | Very high | 98.5 | Very high | 19 Ų | 19 | 51.3 Ų | 51.3 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 115.7 | 176.6 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | I81 V83 L98 L131 V138 | I81-V135 HydrophobicContact CB-CG2 4.23Å; I81-V135 HydrophobicContact CG2-CG2 4.16Å; I81-V135 CarbonylContact O-C 3.56Å; I81-V135 WeakPolarHBondContact O-CA 3.41Å; V83-V135 HydrophobicContact CG1-CG1 4.3Å; V83-V135 HydrophobicContact CG1-CG2 4.19Å; V83-V135 HydrophobicContact CG2-CG1 4Å; L98-V135 HydrophobicContact CD1-CG1 3.95Å; L98-V135 HydrophobicContact CD2-CB 3.91Å; L98-V135 HydrophobicContact CD2-CG1 4.06Å; L98-V135 HydrophobicContact CD2-CG2 4.14Å; L131-V135 HydrophobicContact CD1-CG2 4.07Å; L131-V135 WeakPolarHBondContact O-CG2 3.35Å; L131-V135 PolarHBondContact O-N 2.89Å; V135-V138 HydrophobicContact CG1-CG2 4.5Å |
| 136 | K | 98.7 | Very high | 98.4 | Very high | 112 Ų | 112 | 50.6 Ų | 50.6 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -31.8 | -176.7 | -57.7 | -49.5 | -176.1 | -175.5 | 0 | 113.5 | E80 I81 Q133 A134 | E80-K136 HydrophobicContact CB-CG 3.96Å; E80-K136 HydrophobicContact CG-CG 3.98Å; I81-K136 PolarHBondContact O-N 3.12Å; Q133-K136 WeakPolarHBondContact O-CE 3.27Å; Q133-K136 PolarHBondContact O-NZ 3.26Å; A134-K136 WeakPolarHBondContact O-CG 3.41Å; A134-K136 PolarHBondContact O-N 3.46Å |
| 137 | Q | 98.5 | Very high | 98.3 | Very high | 74 Ų | 74 | 51 Ų | 51 | 35% | 0.346 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 143.4 | -176.9 | -60 | -177.9 | 53.4 | 0 | 0 | 110.5 | I82 V83 L139 | I82-Q137 HydrophobicContact CG1-CB 4.24Å; I82-Q137 HydrophobicContact CG2-CB 4.25Å; V83-Q137 PolarHBondContact N-O 3.5Å; Q137-L139 HydrophobicContact CB-CD1 4.33Å; Q137-L139 HydrophobicContact CB-CD2 4.23Å; Q137-L139 HydrophobicContact CB-CG 3.99Å |
| 138 | V | 98.8 | Very high | 98.3 | Very high | 30 Ų | 30 | 51.1 Ų | 51.1 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 110.2 | 169.9 | -177.7 | 0 | 0 | 0 | 0 | 106.6 | V83 L91 E95 L98 V135 | V83-V138 HydrophobicContact CG2-CB 4.15Å; V83-V138 HydrophobicContact CG2-CG1 4.18Å; V83-V138 HydrophobicContact CG2-CG2 3.68Å; V83-V138 WeakPolarHBondContact O-CA 3.32Å; L91-V138 HydrophobicContact CB-CG1 3.87Å; L91-V138 HydrophobicContact CD2-CG1 3.7Å; L91-V138 HydrophobicContact CG-CG1 4.26Å; E95-V138 HydrophobicContact CG-CB 4.42Å; E95-V138 HydrophobicContact CG-CG1 4.23Å; E95-V138 HydrophobicContact CG-CG2 4.22Å; E95-V138 WeakPolarHBondContact OE1-CB 3.44Å; E95-V138 VanDerWaalsContact OE1-CG2 3.29Å; E95-V138 WeakPolarHBondContact OE1-CG2 3.42Å; L98-V138 HydrophobicContact CD1-CG2 3.52Å; V135-V138 HydrophobicContact CG1-CG2 4.5Å |
| 139 | L | 98.6 | Very high | 98.2 | Very high | 31 Ų | 31 | 50.4 Ų | 50.4 | 16% | 0.162 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 153.1 | -170.7 | -58.2 | 177.7 | 0 | 0 | 0 | 112.7 | I82 V83 T84 D85 Q137 V152 L154 | I82-L139 HydrophobicContact CG2-CD1 3.85Å; I82-L139 HydrophobicContact CG2-CG 4.21Å; V83-L139 PolarHBondContact O-N 3Å; T84-L139 WeakPolarHBondContact CA-O 3.37Å; T84-L139 WeakPolarHBondContact CB-O 3.34Å; T84-L139 HydrophobicContact CG2-CB 4.08Å; D85-L139 PolarHBondContact N-O 2.82Å; Q137-L139 HydrophobicContact CB-CD1 4.33Å; Q137-L139 HydrophobicContact CB-CD2 4.23Å; Q137-L139 HydrophobicContact CB-CG 3.99Å; L139-V152 HydrophobicContact CD1-CG1 4.18Å; L139-L154 HydrophobicContact CD1-CD1 4.06Å |
| 140 | K | 98.4 | Very high | 98 | Very high | 92 Ų | 92 | 49.5 Ų | 49.5 | 40% | 0.4 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 136.4 | 168.2 | -167 | 162.2 | -169.9 | 133.5 | 0 | 110.1 | D85 Y86 D88 L91 | D85-K140 WeakPolarHBondContact O-CA 3.27Å; Y86-K140 WeakPolarHBondContact O-CE 3.4Å; Y86-K140 PolarHBondContact O-NZ 3.46Å; D88-K140 IonicContact OD1-NZ 2.79Å; D88-K140 PolarHBondContact OD1-NZ 2.92Å; D88-K140 IonicContact OD2-NZ 2.94Å; D88-K140 PolarHBondContact OD2-NZ 2.76Å; L91-K140 HydrophobicContact CD1-CB 4.42Å |
| 141 | C | 98.6 | Very high | 97.5 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | trans | -131 | 156.4 | 172.1 | 78.1 | 0 | 0 | 0 | 0 | 112.8 | T84 D85 Y86 P148 L149 | T84-C141 PolarHBondContact OG1-SG 3.29Å; D85-C141 PolarHBondContact O-N 3.27Å; Y86-C141 VanDerWaalsContact CA-O 3.24Å; Y86-C141 WeakPolarHBondContact CA-O 3.24Å; Y86-C141 WeakPolarHBondContact CB-O 3.4Å; Y86-C141 WeakPolarHBondContact CD2-O 3.34Å; C141-P148 CarbonylContact C-O 3.6Å; C141-P148 WeakPolarHBondContact CA-O 3.45Å; C141-L149 HydrophobicContact CB-CD2 3.56Å | ||
| 142 | D | 98.5 | Very high | 97.1 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | trans | -139.9 | 104.8 | 167 | 179.9 | -2.3 | 0 | 0 | 0 | 110.3 | K8 Y86 T144 Q145 P148 | K8-D142 IonicContact NZ-OD1 3.32Å; K8-D142 PolarHBondContact NZ-OD1 3.32Å; K8-D142 IonicContact NZ-OD2 2.97Å; K8-D142 PolarHBondContact NZ-OD2 3.21Å; Y86-D142 HydrophobicContact CD2-CB 3.98Å; Y86-D142 HydrophobicContact CE2-CB 4.26Å; D142-T144 PolarHBondContact O-N 2.94Å; D142-T144 VanDerWaalsContact O-N 3.09Å; D142-T144 PolarHBondContact OD1-N 3.43Å; D142-T144 PolarHBondContact OD1-OG1 3.14Å; D142-Q145 HydrophobicContact CB-CG 3.71Å; D142-Q145 WeakPolarHBondContact O-CB 3.09Å; D142-Q145 PolarHBondContact O-N 2.93Å; D142-Q145 WeakPolarHBondContact OD2-CG 3.37Å; D142-Q145 PolarHBondContact OD2-NE2 2.9Å; D142-P148 PolarHBondContact N-O 2.66Å; D142-P148 WeakPolarHBondContact O-CA 3.32Å | ||
| 143 | V | 98.4 | Very high | 96.7 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -19.6 | -176.2 | -56.4 | 0 | 0 | 0 | 0 | 114 | I62 Q145 L166 A169 A179 N182 L183 | I62-V143 HydrophobicContact CG2-CG1 3.35Å; V143-Q145 VanDerWaalsContact C-N 3.31Å; V143-L166 HydrophobicContact CG1-CD2 4.47Å; V143-L166 HydrophobicContact CG2-CD2 4.48Å; V143-A169 HydrophobicContact CG2-CB 3.66Å; V143-A179 HydrophobicContact CB-CB 4.34Å; V143-A179 HydrophobicContact CG2-CB 4.33Å; V143-N182 PolarHBondContact O-ND2 2.9Å; V143-L183 HydrophobicContact CB-CD2 4.41Å; V143-L183 HydrophobicContact CG1-CD2 4.08Å |
| 144 | T | 97.6 | Very high | 96.5 | Very high | 48 Ų | 48 | 54.1 Ų | 54.1 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -9.8 | 177.7 | 90.5 | 0 | 0 | 0 | 0 | 112.7 | K8 D142 T175 N182 | K8-T144 VanDerWaalsContact CE-CG2 3.46Å; K8-T144 VanDerWaalsContact NZ-CG2 3.27Å; K8-T144 PolarHBondContact NZ-OG1 3.34Å; D142-T144 PolarHBondContact O-N 2.94Å; D142-T144 VanDerWaalsContact O-N 3.09Å; D142-T144 PolarHBondContact OD1-N 3.43Å; D142-T144 PolarHBondContact OD1-OG1 3.14Å; T144-T175 HydrophobicContact CG2-CG2 4.41Å; T144-N182 PolarHBondContact O-ND2 3.46Å |
| 145 | Q | 98.1 | Very high | 96.4 | Very high | 96 Ų | 96 | 58 Ų | 58 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -83.7 | 145.9 | 175.2 | -56.2 | -57.1 | -35.2 | 0 | 0 | 110.3 | D142 V143 Q147 N182 | D142-Q145 HydrophobicContact CB-CG 3.71Å; D142-Q145 WeakPolarHBondContact O-CB 3.09Å; D142-Q145 PolarHBondContact O-N 2.93Å; D142-Q145 WeakPolarHBondContact OD2-CG 3.37Å; D142-Q145 PolarHBondContact OD2-NE2 2.9Å; V143-Q145 VanDerWaalsContact C-N 3.31Å; Q145-Q147 PolarHBondContact O-N 3.37Å; Q145-N182 WeakPolarHBondContact O-CB 3.45Å; Q145-N182 PolarHBondContact O-ND2 3.22Å |
| 146 | S | 96.2 | Very high | 96.3 | Very high | 89 Ų | 89 | 60.8 Ų | 60.8 | 62% | 0.622 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -61.4 | -25 | 175.1 | 55.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 147 | Q | 96.3 | Very high | 96.3 | Very high | 120 Ų | 120 | 55.5 Ų | 55.5 | 56% | 0.561 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -118.3 | 90.2 | 170.1 | -68.4 | 177.8 | -1.8 | 0 | 0 | 107.9 | Q145 L149 G150 | Q145-Q147 PolarHBondContact O-N 3.37Å; Q147-L149 PolarHBondContact O-N 3.43Å; Q147-L149 VanDerWaalsContact O-N 3.12Å; Q147-G150 PolarHBondContact O-N 3.05Å; Q147-G150 PolarHBondContact OE1-O 3.26Å |
| 148 | P | 97.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -28.6 | -172.5 | -27.4 | 35.1 | 0 | 0 | 0 | 114.4 | C141 D142 N182 L183 L186 | C141-P148 CarbonylContact C-O 3.6Å; C141-P148 WeakPolarHBondContact CA-O 3.45Å; D142-P148 PolarHBondContact N-O 2.66Å; D142-P148 WeakPolarHBondContact O-CA 3.32Å; P148-N182 HydrophobicContact CG-CB 3.91Å; P148-L183 HydrophobicContact CG-CD2 4.24Å; P148-L186 HydrophobicContact CB-CD1 4.22Å; P148-L186 HydrophobicContact CG-CD1 4.25Å |
| 149 | L | 97.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 14.1 | 178.8 | -53.8 | -179.5 | 0 | 0 | 0 | 112.8 | I60 T84 C141 Q147 V152 L154 L186 | I60-L149 HydrophobicContact CD1-CD1 4.2Å; I60-L149 HydrophobicContact CG2-CD1 4.27Å; T84-L149 HydrophobicContact CG2-CD2 3.74Å; C141-L149 HydrophobicContact CB-CD2 3.56Å; Q147-L149 PolarHBondContact O-N 3.43Å; Q147-L149 VanDerWaalsContact O-N 3.12Å; L149-V152 VanDerWaalsContact O-CG2 3.29Å; L149-V152 WeakPolarHBondContact O-CG2 3.42Å; L149-L154 HydrophobicContact CD1-CD1 3.51Å; L149-L186 HydrophobicContact CD1-CD1 3.97Å; L149-L186 HydrophobicContact CD1-CD2 4.11Å; L149-L186 HydrophobicContact CG-CD1 3.98Å; L149-L186 HydrophobicContact CG-CD2 4.31Å |
| 150 | G | 93.8 | Very high | 96.4 | Very high | 43 Ų | 43 | 50.4 Ų | 50.4 | 44% | 0.443 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | -142 | -174 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q147 V152 | Q147-G150 PolarHBondContact O-N 3.05Å; Q147-G150 PolarHBondContact OE1-O 3.26Å; G150-V152 VanDerWaalsContact C-N 3.29Å; G150-V152 PolarHBondContact O-N 2.94Å |
| 151 | A | 88.7 | Confident | 96.4 | Very high | 96 Ų | 96 | 46 Ų | 46 | 79% | 0.793 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 16.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P153 | A151-P153 WeakPolarHBondContact O-CD 3.49Š|
| 152 | V | 90.3 | Very high | 96.4 | Very high | 60 Ų | 60 | 45.8 Ų | 45.8 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | trans | -67.3 | 121.1 | -179.9 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | L139 L149 G150 L154 | L139-V152 HydrophobicContact CD1-CG1 4.18Å; L149-V152 VanDerWaalsContact O-CG2 3.29Å; L149-V152 WeakPolarHBondContact O-CG2 3.42Å; G150-V152 VanDerWaalsContact C-N 3.29Å; G150-V152 PolarHBondContact O-N 2.94Å; V152-L154 HydrophobicContact CG1-CD1 4.32Å; V152-L154 HydrophobicContact CG1-CD2 4.17Å; V152-L154 HydrophobicContact CG1-CG 3.93Å; V152-L154 PolarHBondContact O-N 3.25Å | ||
| 153 | P | 90.8 | Very high | 96.4 | Very high | 126 Ų | 126 | 45 Ų | 45 | 82% | 0.818 | 28% | 0.28 | S | S | * | . | trans | -76.5 | 99.4 | -178.2 | 30.6 | -33 | 0 | 0 | 0 | 109.9 | A151 | A151-P153 WeakPolarHBondContact O-CD 3.49Š| ||
| 154 | L | 94.4 | Very high | 96.4 | Very high | 43 Ų | 43 | 46.1 Ų | 46.1 | 23% | 0.225 | 29% | 0.285 | C | S | . | . | trans | -117.8 | 145.4 | 175.4 | -63.8 | 175.3 | 0 | 0 | 0 | 110.8 | I60 I82 L139 L149 V152 | I60-L154 HydrophobicContact CD1-CD1 4.44Å; I82-L154 HydrophobicContact CD1-CD1 3.7Å; I82-L154 HydrophobicContact CD1-CD2 3.68Å; I82-L154 HydrophobicContact CD1-CG 4.29Å; L139-L154 HydrophobicContact CD1-CD1 4.06Å; L149-L154 HydrophobicContact CD1-CD1 3.51Å; V152-L154 HydrophobicContact CG1-CD1 4.32Å; V152-L154 HydrophobicContact CG1-CD2 4.17Å; V152-L154 HydrophobicContact CG1-CG 3.93Å; V152-L154 PolarHBondContact O-N 3.25Å | ||
| 155 | P | 96.1 | Very high | 96.5 | Very high | 88 Ų | 88 | 44.8 Ų | 44.8 | 57% | 0.571 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 154.2 | 165.4 | 30 | -33.3 | 0 | 0 | 0 | 109.4 | L58 A157 | L58-P155 HydrophobicContact CD2-CG 3.82Å; P155-A157 PolarHBondContact O-N 2.92Å |
| 156 | L | 97.8 | Very high | 96.5 | Very high | 79 Ų | 79 | 40.2 Ų | 40.2 | 41% | 0.414 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 138 | 170.1 | -65.6 | 177.7 | 0 | 0 | 0 | 109.3 | S185 L186 K188 | L156-S185 WeakPolarHBondContact CD2-O 3.21Å; L156-L186 CarbonylContact C-O 3.56Å; L156-L186 WeakPolarHBondContact CA-O 3.36Å; L156-K188 HydrophobicContact CB-CB 4.4Å; L156-K188 HydrophobicContact CB-CG 3.51Å; L156-K188 WeakPolarHBondContact O-CE 3.48Å |
| 157 | A | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 153.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | L58 I60 P155 C159 L160 L186 L187 K188 | L58-A157 HydrophobicContact CD2-CB 4.32Å; L58-A157 HydrophobicContact CG-CB 4.21Å; I60-A157 HydrophobicContact CD1-CB 3.84Å; I60-A157 HydrophobicContact CG1-CB 3.83Å; P155-A157 PolarHBondContact O-N 2.92Å; A157-C159 WeakPolarHBondContact CB-O 3.43Å; A157-L160 HydrophobicContact CB-CD2 4.07Å; A157-L186 PolarHBondContact N-O 3.36Å; A157-L187 WeakPolarHBondContact O-CD1 3.5Å; A157-K188 WeakPolarHBondContact O-CB 3.36Å; A157-K188 VanDerWaalsContact O-CG 3.32Å; A157-K188 WeakPolarHBondContact O-CG 3.43Å; A157-K188 PolarHBondContact O-N 2.87Å |
| 158 | D | 98.8 | Very high | 96.8 | Very high | 29 Ų | 29 | 30.7 Ų | 30.7 | 16% | 0.155 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -29.2 | 168 | -63.1 | -65.7 | 0 | 0 | 0 | 111.2 | D57 L58 F78 K188 G191 F192 | D57-D158 PolarHBondContact N-OD2 3.22Å; L58-D158 PolarHBondContact N-OD2 3.43Å; L58-D158 PolarHBondContact O-N 3.42Å; F78-D158 HydrophobicContact CE1-CB 4.1Å; D158-K188 WeakPolarHBondContact OD1-CD 3.38Å; D158-K188 WeakPolarHBondContact OD1-CE 3.17Å; D158-K188 IonicContact OD1-NZ 3.98Å; D158-K188 PolarHBondContact OD1-NZ 3.48Å; D158-K188 IonicContact OD2-NZ 3.84Å; D158-K188 PolarHBondContact OD2-NZ 3.23Å; D158-K188 VanDerWaalsContact OD2-NZ 3.15Å; D158-G191 CarbonylContact O-C 3.59Å; D158-G191 VanDerWaalsContact O-CA 3.31Å; D158-G191 WeakPolarHBondContact O-CA 3.29Å; D158-F192 PolarHBondContact O-N 3.35Å |
| 159 | C | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 139.4 | 177.1 | -173.2 | 0 | 0 | 0 | 0 | 111.9 | L58 L59 I60 F78 A157 F192 | L58-C159 PolarHBondContact O-N 3.39Å; L59-C159 WeakPolarHBondContact CA-O 3.44Å; L59-C159 HydrophobicContact CB-CB 4.29Å; L59-C159 HydrophobicContact CD1-CB 4.08Å; L59-C159 HydrophobicContact CG-CB 4.17Å; I60-C159 PolarHBondContact N-O 3.02Å; F78-C159 HydrophobicContact CD1-CB 4.41Å; F78-C159 HydrophobicContact CE1-CB 3.42Å; F78-C159 VanDerWaalsContact CE1-CB 3.42Å; F78-C159 HydrophobicContact CE2-CB 4.14Å; F78-C159 HydrophobicContact CZ-CB 3.27Å; A157-C159 WeakPolarHBondContact CB-O 3.43Å; C159-F192 CarbonylContact C-O 3.54Å; C159-F192 VanDerWaalsContact CA-O 3.3Å; C159-F192 WeakPolarHBondContact CA-O 3.45Å; C159-F192 HydrophobicContact CB-CB 4.35Å |
| 160 | L | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 131.1 | 161.7 | -64.4 | -178.3 | 0 | 0 | 0 | 108.7 | I60 A157 L183 L186 L187 F192 L193 V194 | I60-L160 HydrophobicContact CB-CD2 3.71Å; I60-L160 HydrophobicContact CD1-CD2 4.34Å; I60-L160 HydrophobicContact CG1-CD2 4.36Å; I60-L160 HydrophobicContact CG2-CD2 4.47Å; I60-L160 WeakPolarHBondContact O-CA 3.16Å; A157-L160 HydrophobicContact CB-CD2 4.07Å; L160-L183 HydrophobicContact CD1-CB 3.91Å; L160-L183 WeakPolarHBondContact CD1-O 3.2Å; L160-L186 HydrophobicContact CD1-CB 4.19Å; L160-L186 HydrophobicContact CD2-CB 4.05Å; L160-L187 HydrophobicContact CD1-CB 3.86Å; L160-L187 HydrophobicContact CG-CB 4.08Å; L160-L187 HydrophobicContact CG-CD1 3.97Å; L160-L187 HydrophobicContact CG-CG 4.45Å; L160-F192 PolarHBondContact N-O 3.28Å; L160-L193 HydrophobicContact CB-CD1 4.02Å; L160-L193 WeakPolarHBondContact O-CA 3.28Å; L160-V194 PolarHBondContact O-N 3.15Å |
| 161 | L | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 140.8 | 172 | 178.9 | 63 | 0 | 0 | 0 | 108.4 | L45 F49 L59 I60 D61 I62 Q70 L71 T163 V194 | L45-L161 HydrophobicContact CD2-CD1 4.39Å; F49-L161 HydrophobicContact CZ-CD1 4.28Å; F49-L161 HydrophobicContact CZ-CD2 4.44Å; L59-L161 HydrophobicContact CD1-CB 4.35Å; L59-L161 HydrophobicContact CD2-CB 4.14Å; L59-L161 HydrophobicContact CG-CB 4.44Å; I60-L161 PolarHBondContact O-N 2.98Å; D61-L161 CarbonylContact C-O 3.59Å; D61-L161 WeakPolarHBondContact CA-O 3.34Å; D61-L161 HydrophobicContact CB-CB 4.47Å; D61-L161 WeakPolarHBondContact OD1-CG 3.38Å; I62-L161 PolarHBondContact N-O 3.15Å; Q70-L161 HydrophobicContact CB-CD2 4.03Å; Q70-L161 HydrophobicContact CG-CD2 3.81Å; Q70-L161 WeakPolarHBondContact O-CD2 3.33Å; L71-L161 HydrophobicContact CD2-CD2 3.81Å; L161-T163 HydrophobicContact CD1-CG2 3.91Å; L161-T163 HydrophobicContact CG-CG2 4.27Å; L161-V194 CarbonylContact C-O 3.53Å; L161-V194 WeakPolarHBondContact CA-O 3.45Å; L161-V194 HydrophobicContact CD1-CB 3.76Å; L161-V194 HydrophobicContact CD1-CG1 3.61Å |
| 162 | S | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 120 | 168 | -168.1 | 0 | 0 | 0 | 0 | 109.6 | I62 C165 V194 I195 M196 | I62-S162 WeakPolarHBondContact O-CA 3.22Å; I62-S162 WeakPolarHBondContact O-CB 3.4Å; I62-S162 PolarHBondContact O-OG 3.25Å; S162-C165 WeakPolarHBondContact OG-CB 3.41Å; S162-V194 PolarHBondContact N-O 2.91Å; S162-I195 VanDerWaalsContact O-CA 3.3Å; S162-I195 WeakPolarHBondContact O-CA 3.39Å; S162-M196 PolarHBondContact O-N 3.31Å |
| 163 | T | 98.8 | Very high | 97.9 | Very high | 7 Ų | 7 | 30 Ų | 30 | 4% | 0.043 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 121.9 | -177.2 | 56.8 | 0 | 0 | 0 | 0 | 110.7 | Q70 L161 C165 M196 | Q70-T163 HydrophobicContact CB-CG2 3.83Å; Q70-T163 HydrophobicContact CG-CG2 4.3Å; L161-T163 HydrophobicContact CD1-CG2 3.91Å; L161-T163 HydrophobicContact CG-CG2 4.27Å; T163-C165 VanDerWaalsContact C-N 3.27Å; T163-C165 PolarHBondContact O-N 2.72Å; T163-M196 CarbonylContact C-O 3.43Å; T163-M196 VanDerWaalsContact CA-O 3.32Å; T163-M196 WeakPolarHBondContact CA-O 3.48Å; T163-M196 HydrophobicContact CG2-CB 4.12Å; T163-M196 HydrophobicContact CG2-CG 4.23Å; T163-M196 HydrophobicContact CG2-SD 4.45Å |
| 164 | L | 98.6 | Very high | 98.3 | Very high | 29 Ų | 29 | 27.2 Ų | 27.2 | 15% | 0.152 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 56.5 | 36.1 | 175.3 | -57.1 | 167.8 | 0 | 0 | 0 | 113.8 | L41 M196 L252 | L41-L164 HydrophobicContact CD1-CD1 4.49Å; L164-M196 PolarHBondContact N-O 3.36Å; L164-L252 HydrophobicContact CD2-CD2 3.92Å |
| 165 | C | 98.7 | Very high | 98.5 | Very high | 20 Ų | 20 | 25.8 Ų | 25.8 | 14% | 0.135 | 16% | 0.156 | C | C | . | . | trans | -116.1 | -49.5 | -174.6 | 174.3 | 0 | 0 | 0 | 0 | 113.1 | S162 T163 D167 A168 A169 | S162-C165 WeakPolarHBondContact OG-CB 3.41Å; T163-C165 VanDerWaalsContact C-N 3.27Å; T163-C165 PolarHBondContact O-N 2.72Å; C165-D167 PolarHBondContact O-N 2.84Å; C165-A168 WeakPolarHBondContact O-CB 3.4Å; C165-A168 PolarHBondContact O-N 2.97Å; C165-A168 VanDerWaalsContact O-N 3.13Å; C165-A169 WeakPolarHBondContact O-CB 3.27Å; C165-A169 PolarHBondContact O-N 2.97Å | ||
| 166 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67 | -40.7 | -164.1 | -67.9 | -179.3 | 0 | 0 | 0 | 112 | V143 A168 A169 C170 Y176 A179 L180 L183 I195 D197 | V143-L166 HydrophobicContact CG1-CD2 4.47Å; V143-L166 HydrophobicContact CG2-CD2 4.48Å; L166-A168 VanDerWaalsContact C-N 3.26Å; L166-A168 PolarHBondContact O-N 2.85Å; L166-A169 PolarHBondContact O-N 2.88Å; L166-C170 VanDerWaalsContact O-CB 3.27Å; L166-C170 WeakPolarHBondContact O-CB 3.4Å; L166-C170 PolarHBondContact O-N 2.84Å; L166-C170 VanDerWaalsContact O-N 3.08Å; L166-C170 PolarHBondContact O-SG 2.96Å; L166-Y176 HydrophobicContact CB-CD2 3.97Å; L166-Y176 HydrophobicContact CB-CE2 3.48Å; L166-Y176 VanDerWaalsContact CB-CE2 3.48Å; L166-Y176 HydrophobicContact CD1-CE2 4.15Å; L166-Y176 HydrophobicContact CG-CE2 4.48Å; L166-A179 HydrophobicContact CD2-CB 4.26Å; L166-L180 HydrophobicContact CD1-CD2 3.87Å; L166-L183 HydrophobicContact CD2-CD1 4.18Å; L166-I195 HydrophobicContact CD1-CD1 3.89Å; L166-I195 HydrophobicContact CD1-CG2 4.28Å; L166-D197 PolarHBondContact N-OD2 3.23Å |
| 167 | D | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.2 | -30.8 | 178.1 | -69.1 | -15.7 | 0 | 0 | 0 | 111.6 | C165 Y176 D197 A198 S213 L214 | C165-D167 PolarHBondContact O-N 2.84Å; D167-Y176 WeakPolarHBondContact OD1-CE2 3.49Å; D167-D197 PolarHBondContact N-OD2 2.72Å; D167-A198 VanDerWaalsContact OD2-O 3.05Å; D167-S213 CarbonylContact O-C 3.58Å; D167-S213 WeakPolarHBondContact O-CA 3.48Å; D167-L214 HydrophobicContact CB-CB 4.26Å; D167-L214 WeakPolarHBondContact O-CB 3.39Å; D167-L214 PolarHBondContact O-N 3.06Å |
| 168 | A | 98.6 | Very high | 98.7 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 7% | 0.074 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -77.7 | -28.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F5 Y11 C165 L166 Y204 | F5-A168 WeakPolarHBondContact CE1-O 3.31Å; F5-A168 WeakPolarHBondContact CZ-O 3.32Å; Y11-A168 WeakPolarHBondContact OH-CB 3.26Å; C165-A168 WeakPolarHBondContact O-CB 3.4Å; C165-A168 PolarHBondContact O-N 2.97Å; C165-A168 VanDerWaalsContact O-N 3.13Å; L166-A168 VanDerWaalsContact C-N 3.26Å; L166-A168 PolarHBondContact O-N 2.85Å; A168-Y204 HydrophobicContact CB-CE1 3.99Å |
| 169 | A | 98.4 | Very high | 98.7 | Very high | 27 Ų | 27 | 25.2 Ų | 25.2 | 22% | 0.223 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -89.7 | -16.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | V143 C165 L166 | V143-A169 HydrophobicContact CG2-CB 3.66Å; C165-A169 WeakPolarHBondContact O-CB 3.27Å; C165-A169 PolarHBondContact O-N 2.97Å; L166-A169 PolarHBondContact O-N 2.88Å |
| 170 | C | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -113.2 | 117 | -171.5 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | F5 L166 D172 T175 Y176 L214 | F5-C170 WeakPolarHBondContact CE2-O 3.47Å; F5-C170 VanDerWaalsContact CZ-C 3.5Å; F5-C170 VanDerWaalsContact CZ-O 3.27Å; F5-C170 WeakPolarHBondContact CZ-O 3.3Å; L166-C170 VanDerWaalsContact O-CB 3.27Å; L166-C170 WeakPolarHBondContact O-CB 3.4Å; L166-C170 PolarHBondContact O-N 2.84Å; L166-C170 VanDerWaalsContact O-N 3.08Å; L166-C170 PolarHBondContact O-SG 2.96Å; C170-D172 VanDerWaalsContact C-N 3.25Å; C170-D172 PolarHBondContact O-N 3.43Å; C170-T175 HydrophobicContact CB-CG2 4.2Å; C170-Y176 HydrophobicContact CB-CD2 4.39Å; C170-Y176 VanDerWaalsContact SG-CA 3.57Å; C170-L214 HydrophobicContact CB-CD2 4.27Å; C170-L214 WeakPolarHBondContact O-CB 3.47Å | ||
| 171 | P | 98.1 | Very high | 98.6 | Very high | 62 Ų | 62 | 31.6 Ų | 31.6 | 40% | 0.403 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -72.4 | -17.6 | -179.6 | 29.8 | -36.6 | 0 | 0 | 0 | 114.1 | F5 | F5-P171 HydrophobicContact CB-CB 3.95Å; F5-P171 HydrophobicContact CD1-CB 3.7Å; F5-P171 HydrophobicContact CD2-CB 4.2Å; F5-P171 HydrophobicContact CE1-CB 4.22Å; F5-P171 HydrophobicContact CG-CB 3.68Å |
| 172 | D | 98.6 | Very high | 98.6 | Very high | 65 Ų | 65 | 32.8 Ų | 32.8 | 35% | 0.348 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -156.1 | 163.3 | -175.5 | 57.7 | 43.5 | 0 | 0 | 0 | 112 | C170 P174 T175 Y176 | C170-D172 VanDerWaalsContact C-N 3.25Å; C170-D172 PolarHBondContact O-N 3.43Å; D172-P174 WeakPolarHBondContact OD1-CD 3.48Å; D172-T175 PolarHBondContact O-N 3.36Å; D172-T175 VanDerWaalsContact O-N 3.1Å; D172-T175 WeakPolarHBondContact OD1-CB 3.32Å; D172-T175 PolarHBondContact OD1-N 2.88Å; D172-T175 PolarHBondContact OD1-OG1 3.19Å; D172-Y176 PolarHBondContact O-N 3.02Å |
| 173 | L | 98.6 | Very high | 98.5 | Very high | 47 Ų | 47 | 32.8 Ų | 32.8 | 25% | 0.246 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.9 | -39 | 179.5 | -179.4 | 62.6 | 0 | 0 | 0 | 113.6 | T175 Y176 R177 L216 A224 | L173-T175 VanDerWaalsContact C-N 3.3Å; L173-T175 PolarHBondContact O-N 3.09Å; L173-Y176 HydrophobicContact CD1-CD1 4.44Å; L173-Y176 PolarHBondContact O-N 2.69Å; L173-R177 HydrophobicContact CD1-CG 4.38Å; L173-R177 WeakPolarHBondContact O-CB 3.49Å; L173-R177 WeakPolarHBondContact O-CG 3.37Å; L173-R177 PolarHBondContact O-N 2.68Å; L173-L216 HydrophobicContact CD1-CD1 4.43Å; L173-L216 HydrophobicContact CD1-CD2 4.16Å; L173-A224 HydrophobicContact CD1-CB 4.44Å |
| 174 | P | 98.6 | Very high | 98.4 | Very high | 67 Ų | 67 | 32.9 Ų | 32.9 | 44% | 0.435 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -57.7 | -38.8 | 171.2 | -27.5 | 36.5 | 0 | 0 | 0 | 113.9 | D172 R178 | D172-P174 WeakPolarHBondContact OD1-CD 3.48Å; P174-R178 WeakPolarHBondContact O-CG 3.34Å; P174-R178 PolarHBondContact O-N 2.92Å |
| 175 | T | 98.4 | Very high | 98.3 | Very high | 12 Ų | 12 | 34.3 Ų | 34.3 | 7% | 0.074 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.9 | -42.7 | 175.9 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | T144 C170 D172 L173 R177 R178 A179 | T144-T175 HydrophobicContact CG2-CG2 4.41Å; C170-T175 HydrophobicContact CB-CG2 4.2Å; D172-T175 PolarHBondContact O-N 3.36Å; D172-T175 VanDerWaalsContact O-N 3.1Å; D172-T175 WeakPolarHBondContact OD1-CB 3.32Å; D172-T175 PolarHBondContact OD1-N 2.88Å; D172-T175 PolarHBondContact OD1-OG1 3.19Å; L173-T175 VanDerWaalsContact C-N 3.3Å; L173-T175 PolarHBondContact O-N 3.09Å; T175-R177 PolarHBondContact O-N 3.1Å; T175-R178 CarbonylContact O-C 3.31Å; T175-R178 WeakPolarHBondContact O-CA 3.46Å; T175-R178 WeakPolarHBondContact O-CB 3.43Å; T175-R178 PolarHBondContact O-N 3.37Å; T175-R178 VanDerWaalsContact O-N 3.08Å; T175-R178 PolarHBondContact OG1-NH2 2.89Å; T175-A179 PolarHBondContact O-N 3.27Å |
| 176 | Y | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.1 | -48 | 173.7 | -173.1 | -88.5 | 0 | 0 | 0 | 112 | L166 D167 C170 D172 L173 R178 A179 L180 L214 L216 A224 | L166-Y176 HydrophobicContact CB-CD2 3.97Å; L166-Y176 HydrophobicContact CB-CE2 3.48Å; L166-Y176 VanDerWaalsContact CB-CE2 3.48Å; L166-Y176 HydrophobicContact CD1-CE2 4.15Å; L166-Y176 HydrophobicContact CG-CE2 4.48Å; D167-Y176 WeakPolarHBondContact OD1-CE2 3.49Å; C170-Y176 HydrophobicContact CB-CD2 4.39Å; C170-Y176 VanDerWaalsContact SG-CA 3.57Å; D172-Y176 PolarHBondContact O-N 3.02Å; L173-Y176 HydrophobicContact CD1-CD1 4.44Å; L173-Y176 PolarHBondContact O-N 2.69Å; Y176-R178 VanDerWaalsContact C-N 3.32Å; Y176-R178 PolarHBondContact O-N 2.96Å; Y176-A179 WeakPolarHBondContact O-CB 3.19Å; Y176-A179 PolarHBondContact O-N 2.9Å; Y176-L180 HydrophobicContact CD1-CD1 3.92Å; Y176-L180 HydrophobicContact CD1-CG 4.34Å; Y176-L180 HydrophobicContact CE1-CD1 3.59Å; Y176-L180 HydrophobicContact CE1-CG 4.1Å; Y176-L180 PolarHBondContact O-N 3.44Å; Y176-L214 HydrophobicContact CD2-CD2 4.28Å; Y176-L214 HydrophobicContact CG-CD2 4.38Å; Y176-L216 HydrophobicContact CD1-CD1 4.01Å; Y176-L216 HydrophobicContact CD2-CD1 3.8Å; Y176-L216 HydrophobicContact CE1-CD1 4.02Å; Y176-L216 HydrophobicContact CE2-CD1 3.81Å; Y176-L216 HydrophobicContact CG-CD1 3.9Å; Y176-A224 HydrophobicContact CD1-CB 4.01Å; Y176-A224 HydrophobicContact CE1-CB 3.99Å |
| 177 | R | 98.8 | Very high | 98.3 | Very high | 71 Ų | 71 | 34.6 Ų | 34.6 | 27% | 0.268 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.8 | -37.7 | 174.5 | -74.4 | 169.5 | 161.4 | 144.1 | -7.3 | 112.8 | L173 T175 R181 A224 E227 | L173-R177 HydrophobicContact CD1-CG 4.38Å; L173-R177 WeakPolarHBondContact O-CB 3.49Å; L173-R177 WeakPolarHBondContact O-CG 3.37Å; L173-R177 PolarHBondContact O-N 2.68Å; T175-R177 PolarHBondContact O-N 3.1Å; R177-R181 PolarHBondContact O-N 3.01Å; R177-R181 PolarHBondContact O-NH1 3.12Å; R177-A224 HydrophobicContact CG-CB 4Å; R177-E227 IonicContact CZ-OE1 3.06Å; R177-E227 IonicContact CZ-OE2 2.74Å; R177-E227 VanDerWaalsContact CZ-OE2 3.23Å; R177-E227 IonicContact NE-OE1 2.7Å; R177-E227 IonicContact NE-OE2 2.7Å; R177-E227 PolarHBondContact NE-OE2 3.02Å; R177-E227 IonicContact NH2-OE1 2.73Å; R177-E227 PolarHBondContact NH2-OE1 3.27Å; R177-E227 IonicContact NH2-OE2 2.91Å; R177-E227 PolarHBondContact NH2-OE2 3.12Å |
| 178 | R | 98.6 | Very high | 98.2 | Very high | 114 Ų | 114 | 37.9 Ų | 37.9 | 43% | 0.43 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.4 | -44.7 | 174 | -80.1 | -171.9 | -59.1 | -92.2 | 2.4 | 111.2 | P174 T175 Y176 L180 R181 N182 | P174-R178 WeakPolarHBondContact O-CG 3.34Å; P174-R178 PolarHBondContact O-N 2.92Å; T175-R178 CarbonylContact O-C 3.31Å; T175-R178 WeakPolarHBondContact O-CA 3.46Å; T175-R178 WeakPolarHBondContact O-CB 3.43Å; T175-R178 PolarHBondContact O-N 3.37Å; T175-R178 VanDerWaalsContact O-N 3.08Å; T175-R178 PolarHBondContact OG1-NH2 2.89Å; Y176-R178 VanDerWaalsContact C-N 3.32Å; Y176-R178 PolarHBondContact O-N 2.96Å; R178-L180 PolarHBondContact O-N 2.77Å; R178-R181 WeakPolarHBondContact O-CB 3.36Å; R178-R181 PolarHBondContact O-N 3.49Å; R178-R181 VanDerWaalsContact O-N 3.11Å; R178-N182 PolarHBondContact O-N 3.3Å; R178-N182 PolarHBondContact O-ND2 3.41Å; R178-N182 PolarHBondContact O-OD1 3.06Å |
| 179 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.8 | -47.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V143 L166 T175 Y176 R181 N182 L183 | V143-A179 HydrophobicContact CB-CB 4.34Å; V143-A179 HydrophobicContact CG2-CB 4.33Å; L166-A179 HydrophobicContact CD2-CB 4.26Å; T175-A179 PolarHBondContact O-N 3.27Å; Y176-A179 WeakPolarHBondContact O-CB 3.19Å; Y176-A179 PolarHBondContact O-N 2.9Å; A179-R181 VanDerWaalsContact C-N 3.29Å; A179-R181 PolarHBondContact O-N 2.93Å; A179-N182 WeakPolarHBondContact O-CB 3.48Å; A179-N182 PolarHBondContact O-N 3.08Å; A179-L183 WeakPolarHBondContact O-CG 3.21Å; A179-L183 PolarHBondContact O-N 3Å |
| 180 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.4 | -41.9 | 174.5 | -71.1 | 175.9 | 0 | 0 | 0 | 113 | L166 Y176 R178 G184 L193 I195 A224 V225 A228 | L166-L180 HydrophobicContact CD1-CD2 3.87Å; Y176-L180 HydrophobicContact CD1-CD1 3.92Å; Y176-L180 HydrophobicContact CD1-CG 4.34Å; Y176-L180 HydrophobicContact CE1-CD1 3.59Å; Y176-L180 HydrophobicContact CE1-CG 4.1Å; Y176-L180 PolarHBondContact O-N 3.44Å; R178-L180 PolarHBondContact O-N 2.77Å; L180-G184 PolarHBondContact O-N 3.46Å; L180-L193 HydrophobicContact CD2-CD2 4.23Å; L180-I195 HydrophobicContact CD2-CD1 3.64Å; L180-A224 HydrophobicContact CD1-CB 3.88Å; L180-V225 HydrophobicContact CD1-CG2 4.1Å; L180-A228 HydrophobicContact CB-CB 3.86Å; L180-A228 HydrophobicContact CD1-CB 4.39Å |
| 181 | R | 97.8 | Very high | 98.2 | Very high | 134 Ų | 134 | 40.9 Ų | 40.9 | 51% | 0.506 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.2 | -40.8 | 174.9 | -71.8 | -168.9 | -63.3 | -91 | 7.7 | 112.6 | R177 R178 A179 G184 S185 | R177-R181 PolarHBondContact O-N 3.01Å; R177-R181 PolarHBondContact O-NH1 3.12Å; R178-R181 WeakPolarHBondContact O-CB 3.36Å; R178-R181 PolarHBondContact O-N 3.49Å; R178-R181 VanDerWaalsContact O-N 3.11Å; A179-R181 VanDerWaalsContact C-N 3.29Å; A179-R181 PolarHBondContact O-N 2.93Å; R181-G184 PolarHBondContact O-N 3.31Å; R181-S185 PolarHBondContact O-N 2.74Å |
| 182 | N | 98.1 | Very high | 98.2 | Very high | 25 Ų | 25 | 39 Ų | 39 | 13% | 0.134 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -45.4 | 177.3 | -63.4 | -17.7 | 0 | 0 | 0 | 110.5 | V143 T144 Q145 P148 R178 A179 G184 S185 | V143-N182 PolarHBondContact O-ND2 2.9Å; T144-N182 PolarHBondContact O-ND2 3.46Å; Q145-N182 WeakPolarHBondContact O-CB 3.45Å; Q145-N182 PolarHBondContact O-ND2 3.22Å; P148-N182 HydrophobicContact CG-CB 3.91Å; R178-N182 PolarHBondContact O-N 3.3Å; R178-N182 PolarHBondContact O-ND2 3.41Å; R178-N182 PolarHBondContact O-OD1 3.06Å; A179-N182 WeakPolarHBondContact O-CB 3.48Å; A179-N182 PolarHBondContact O-N 3.08Å; N182-G184 VanDerWaalsContact C-N 3.28Å; N182-G184 PolarHBondContact O-N 3.44Å; N182-S185 VanDerWaalsContact O-CB 3.28Å; N182-S185 WeakPolarHBondContact O-CB 3.3Å; N182-S185 PolarHBondContact O-N 2.88Å; N182-S185 PolarHBondContact O-OG 2.83Å |
| 183 | L | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.1 | -43.5 | 173.8 | -62.6 | -162.3 | 0 | 0 | 0 | 110.9 | I62 V143 P148 L160 L166 A179 S185 L186 | I62-L183 HydrophobicContact CD1-CD2 4.48Å; I62-L183 HydrophobicContact CG1-CD2 4.18Å; I62-L183 HydrophobicContact CG2-CD1 4.48Å; I62-L183 HydrophobicContact CG2-CD2 3.83Å; V143-L183 HydrophobicContact CB-CD2 4.41Å; V143-L183 HydrophobicContact CG1-CD2 4.08Å; P148-L183 HydrophobicContact CG-CD2 4.24Å; L160-L183 HydrophobicContact CD1-CB 3.91Å; L160-L183 WeakPolarHBondContact CD1-O 3.2Å; L166-L183 HydrophobicContact CD2-CD1 4.18Å; A179-L183 WeakPolarHBondContact O-CG 3.21Å; A179-L183 PolarHBondContact O-N 3Å; L183-S185 PolarHBondContact O-N 3.24Å; L183-L186 WeakPolarHBondContact O-CB 3.5Å; L183-L186 PolarHBondContact O-N 3.21Å |
| 184 | G | 96.9 | Very high | 98.2 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 9% | 0.093 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -52.7 | -24.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | L180 R181 N182 L186 L187 Y230 K259 | L180-G184 PolarHBondContact O-N 3.46Å; R181-G184 PolarHBondContact O-N 3.31Å; N182-G184 VanDerWaalsContact C-N 3.28Å; N182-G184 PolarHBondContact O-N 3.44Å; G184-L186 PolarHBondContact O-N 2.97Å; G184-L187 PolarHBondContact O-N 2.68Å; G184-Y230 WeakPolarHBondContact CA-OH 3.42Å; G184-K259 PolarHBondContact O-NZ 3.15Å |
| 185 | S | 95.9 | Very high | 98.2 | Very high | 59 Ų | 59 | 30.4 Ų | 30.4 | 41% | 0.413 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -22 | 175.4 | 74.8 | 0 | 0 | 0 | 0 | 114.1 | L156 R181 N182 L183 | L156-S185 WeakPolarHBondContact CD2-O 3.21Å; R181-S185 PolarHBondContact O-N 2.74Å; N182-S185 VanDerWaalsContact O-CB 3.28Å; N182-S185 WeakPolarHBondContact O-CB 3.3Å; N182-S185 PolarHBondContact O-N 2.88Å; N182-S185 PolarHBondContact O-OG 2.83Å; L183-S185 PolarHBondContact O-N 3.24Å |
| 186 | L | 98.1 | Very high | 98.3 | Very high | 26 Ų | 26 | 29.9 Ų | 29.9 | 14% | 0.136 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -8.9 | -178.4 | -57.5 | 174.6 | 0 | 0 | 0 | 113.1 | I62 P148 L149 L156 A157 L160 L183 G184 | I62-L186 HydrophobicContact CD1-CD1 4.08Å; P148-L186 HydrophobicContact CB-CD1 4.22Å; P148-L186 HydrophobicContact CG-CD1 4.25Å; L149-L186 HydrophobicContact CD1-CD1 3.97Å; L149-L186 HydrophobicContact CD1-CD2 4.11Å; L149-L186 HydrophobicContact CG-CD1 3.98Å; L149-L186 HydrophobicContact CG-CD2 4.31Å; L156-L186 CarbonylContact C-O 3.56Å; L156-L186 WeakPolarHBondContact CA-O 3.36Å; A157-L186 PolarHBondContact N-O 3.36Å; L160-L186 HydrophobicContact CD1-CB 4.19Å; L160-L186 HydrophobicContact CD2-CB 4.05Å; L183-L186 WeakPolarHBondContact O-CB 3.5Å; L183-L186 PolarHBondContact O-N 3.21Å; G184-L186 PolarHBondContact O-N 2.97Å |
| 187 | L | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 137.3 | -170.1 | -171.5 | 67.2 | 0 | 0 | 0 | 112.2 | A157 L160 G184 F192 L193 Y230 K259 | A157-L187 WeakPolarHBondContact O-CD1 3.5Å; L160-L187 HydrophobicContact CD1-CB 3.86Å; L160-L187 HydrophobicContact CG-CB 4.08Å; L160-L187 HydrophobicContact CG-CD1 3.97Å; L160-L187 HydrophobicContact CG-CG 4.45Å; G184-L187 PolarHBondContact O-N 2.68Å; L187-F192 VanDerWaalsContact CD1-O 3.25Å; L187-F192 WeakPolarHBondContact CD1-O 3.17Å; L187-F192 WeakPolarHBondContact CD2-O 3.27Å; L187-L193 HydrophobicContact CD2-CB 4.44Å; L187-Y230 HydrophobicContact CD2-CE1 3.75Å; L187-K259 HydrophobicContact CB-CD 4.11Å; L187-K259 HydrophobicContact CD2-CB 3.82Å; L187-K259 HydrophobicContact CD2-CD 4.01Å; L187-K259 HydrophobicContact CG-CD 4.17Å; L187-K259 PolarHBondContact O-NZ 3.17Å |
| 188 | K | 98.3 | Very high | 98.3 | Very high | 68 Ų | 68 | 27 Ų | 27 | 30% | 0.296 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 149.1 | 173.5 | -69.5 | 176.6 | -161.6 | 173.6 | 0 | 111.3 | L156 A157 D158 G190 G191 | L156-K188 HydrophobicContact CB-CB 4.4Å; L156-K188 HydrophobicContact CB-CG 3.51Å; L156-K188 WeakPolarHBondContact O-CE 3.48Å; A157-K188 WeakPolarHBondContact O-CB 3.36Å; A157-K188 VanDerWaalsContact O-CG 3.32Å; A157-K188 WeakPolarHBondContact O-CG 3.43Å; A157-K188 PolarHBondContact O-N 2.87Å; D158-K188 WeakPolarHBondContact OD1-CD 3.38Å; D158-K188 WeakPolarHBondContact OD1-CE 3.17Å; D158-K188 IonicContact OD1-NZ 3.98Å; D158-K188 PolarHBondContact OD1-NZ 3.48Å; D158-K188 IonicContact OD2-NZ 3.84Å; D158-K188 PolarHBondContact OD2-NZ 3.23Å; D158-K188 VanDerWaalsContact OD2-NZ 3.15Å; K188-G190 PolarHBondContact O-N 2.97Å; K188-G191 WeakPolarHBondContact O-CA 3.45Å; K188-G191 PolarHBondContact O-N 2.85Å |
| 189 | P | 97.9 | Very high | 98.3 | Very high | 83 Ų | 83 | 22.1 Ų | 22.1 | 54% | 0.539 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.2 | 131.2 | 160.6 | -24 | 35 | 0 | 0 | 0 | 110.2 | G191 | P189-G191 PolarHBondContact O-N 3.49Å |
| 190 | G | 97.9 | Very high | 98.3 | Very high | 12 Ų | 12 | 26.9 Ų | 26.9 | 12% | 0.124 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 72 | 9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K188 R258 K259 | K188-G190 PolarHBondContact O-N 2.97Å; G190-R258 WeakPolarHBondContact O-CD 3.49Å; G190-R258 PolarHBondContact O-NE 3.45Å; G190-R258 PolarHBondContact O-NH1 3.01Å; G190-R258 PolarHBondContact O-NH2 3.26Å; G190-R258 VanDerWaalsContact O-NH2 3.08Å; G190-K259 VanDerWaalsContact CA-O 3.23Å; G190-K259 WeakPolarHBondContact CA-O 3.43Å; G190-K259 PolarHBondContact N-O 3.46Å |
| 191 | G | 98.5 | Very high | 98.3 | Very high | 4 Ų | 4 | 27 Ų | 27 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 168.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D158 K188 P189 K259 | D158-G191 CarbonylContact O-C 3.59Å; D158-G191 VanDerWaalsContact O-CA 3.31Å; D158-G191 WeakPolarHBondContact O-CA 3.29Å; K188-G191 WeakPolarHBondContact O-CA 3.45Å; K188-G191 PolarHBondContact O-N 2.85Å; P189-G191 PolarHBondContact O-N 3.49Å; G191-K259 PolarHBondContact O-N 2.9Å |
| 192 | F | 98.8 | Very high | 98.3 | Very high | 22 Ų | 22 | 22.9 Ų | 22.9 | 10% | 0.096 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 142.6 | 179 | -60.9 | -81.2 | 0 | 0 | 0 | 112.4 | V54 D158 C159 L160 L187 V256 G257 R258 | V54-F192 HydrophobicContact CG1-CB 3.95Å; V54-F192 HydrophobicContact CG1-CD1 4.32Å; V54-F192 HydrophobicContact CG1-CD2 3.84Å; V54-F192 HydrophobicContact CG1-CE2 4.31Å; V54-F192 HydrophobicContact CG1-CG 3.8Å; V54-F192 HydrophobicContact CG2-CD1 4Å; V54-F192 HydrophobicContact CG2-CE1 4.01Å; V54-F192 HydrophobicContact CG2-CG 4.33Å; V54-F192 HydrophobicContact CG2-CZ 4.33Å; D158-F192 PolarHBondContact O-N 3.35Å; C159-F192 CarbonylContact C-O 3.54Å; C159-F192 VanDerWaalsContact CA-O 3.3Å; C159-F192 WeakPolarHBondContact CA-O 3.45Å; C159-F192 HydrophobicContact CB-CB 4.35Å; L160-F192 PolarHBondContact N-O 3.28Å; L187-F192 VanDerWaalsContact CD1-O 3.25Å; L187-F192 WeakPolarHBondContact CD1-O 3.17Å; L187-F192 WeakPolarHBondContact CD2-O 3.27Å; F192-V256 HydrophobicContact CD1-CG1 4.02Å; F192-G257 CarbonylContact C-O 3.57Å; F192-G257 WeakPolarHBondContact CA-O 3.32Å; F192-R258 VanDerWaalsContact CE1-NH1 3.27Å |
| 193 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 114 | 167.3 | 174.1 | 62.5 | 0 | 0 | 0 | 107.6 | L160 L180 L187 I195 Y230 V256 G257 | L160-L193 HydrophobicContact CB-CD1 4.02Å; L160-L193 WeakPolarHBondContact O-CA 3.28Å; L180-L193 HydrophobicContact CD2-CD2 4.23Å; L187-L193 HydrophobicContact CD2-CB 4.44Å; L193-I195 HydrophobicContact CD1-CD1 4.17Å; L193-I195 HydrophobicContact CD1-CG1 3.92Å; L193-I195 HydrophobicContact CD2-CD1 3.96Å; L193-I195 HydrophobicContact CD2-CG1 4.39Å; L193-I195 HydrophobicContact CG-CD1 4.01Å; L193-I195 HydrophobicContact CG-CG1 3.87Å; L193-Y230 HydrophobicContact CB-CD1 3.85Å; L193-Y230 HydrophobicContact CB-CE1 3.54Å; L193-Y230 HydrophobicContact CD2-CD1 3.97Å; L193-Y230 HydrophobicContact CD2-CD2 4.18Å; L193-Y230 HydrophobicContact CD2-CE1 3.63Å; L193-Y230 HydrophobicContact CD2-CE2 3.89Å; L193-Y230 HydrophobicContact CD2-CG 4.23Å; L193-Y230 HydrophobicContact CG-CE1 4.23Å; L193-V256 WeakPolarHBondContact O-CA 3.34Å; L193-G257 PolarHBondContact N-O 3.32Å; L193-G257 PolarHBondContact O-N 2.99Å |
| 194 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 121.4 | 176.1 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | I48 F49 V54 L160 L161 S162 L255 V256 | I48-V194 HydrophobicContact CD1-CG1 3.92Å; I48-V194 HydrophobicContact CG2-CG1 4.31Å; I48-V194 HydrophobicContact CG2-CG2 4.06Å; F49-V194 HydrophobicContact CE1-CG2 4.32Å; F49-V194 HydrophobicContact CZ-CG1 4.45Å; F49-V194 HydrophobicContact CZ-CG2 4.22Å; V54-V194 HydrophobicContact CG1-CG2 4.3Å; L160-V194 PolarHBondContact O-N 3.15Å; L161-V194 CarbonylContact C-O 3.53Å; L161-V194 WeakPolarHBondContact CA-O 3.45Å; L161-V194 HydrophobicContact CD1-CB 3.76Å; L161-V194 HydrophobicContact CD1-CG1 3.61Å; S162-V194 PolarHBondContact N-O 2.91Å; V194-L255 VanDerWaalsContact CA-O 3.3Å; V194-L255 WeakPolarHBondContact CA-O 3.23Å; V194-V256 HydrophobicContact CG2-CG2 4.33Å |
| 195 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 138.2 | 177.5 | -46.5 | -179.1 | 0 | 0 | 0 | 109.3 | S162 L166 L180 L193 F253 S254 L255 | S162-I195 VanDerWaalsContact O-CA 3.3Å; S162-I195 WeakPolarHBondContact O-CA 3.39Å; L166-I195 HydrophobicContact CD1-CD1 3.89Å; L166-I195 HydrophobicContact CD1-CG2 4.28Å; L180-I195 HydrophobicContact CD2-CD1 3.64Å; L193-I195 HydrophobicContact CD1-CD1 4.17Å; L193-I195 HydrophobicContact CD1-CG1 3.92Å; L193-I195 HydrophobicContact CD2-CD1 3.96Å; L193-I195 HydrophobicContact CD2-CG1 4.39Å; L193-I195 HydrophobicContact CG-CD1 4.01Å; L193-I195 HydrophobicContact CG-CG1 3.87Å; I195-F253 HydrophobicContact CB-CE2 4.09Å; I195-F253 HydrophobicContact CG2-CE2 3.88Å; I195-F253 HydrophobicContact CG2-CZ 3.94Å; I195-S254 CarbonylContact O-C 3.54Å; I195-S254 WeakPolarHBondContact O-CA 3.32Å; I195-L255 HydrophobicContact CB-CD2 3.98Å; I195-L255 HydrophobicContact CD1-CD2 3.85Å; I195-L255 HydrophobicContact CG1-CD2 3.97Å; I195-L255 PolarHBondContact N-O 2.78Å; I195-L255 PolarHBondContact O-N 3.34Å |
| 196 | M | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 127.8 | 163 | -54 | -173.4 | 172 | 0 | 0 | 108.2 | L41 N44 L45 I48 S162 T163 L164 F253 | L41-M196 HydrophobicContact CB-SD 4.48Å; L41-M196 HydrophobicContact CD2-CB 4.14Å; L41-M196 HydrophobicContact CD2-CG 4.46Å; L41-M196 HydrophobicContact CD2-SD 3.63Å; N44-M196 HydrophobicContact CB-CE 3.84Å; L45-M196 HydrophobicContact CB-CE 4.44Å; L45-M196 HydrophobicContact CD1-SD 4.43Å; L45-M196 HydrophobicContact CD2-CE 3.51Å; L45-M196 HydrophobicContact CD2-SD 4.04Å; L45-M196 HydrophobicContact CG-CE 3.5Å; L45-M196 HydrophobicContact CG-SD 3.95Å; I48-M196 HydrophobicContact CD1-CE 3.57Å; S162-M196 PolarHBondContact O-N 3.31Å; T163-M196 CarbonylContact C-O 3.43Å; T163-M196 VanDerWaalsContact CA-O 3.32Å; T163-M196 WeakPolarHBondContact CA-O 3.48Å; T163-M196 HydrophobicContact CG2-CB 4.12Å; T163-M196 HydrophobicContact CG2-CG 4.23Å; T163-M196 HydrophobicContact CG2-SD 4.45Å; L164-M196 PolarHBondContact N-O 3.36Å; M196-F253 WeakPolarHBondContact CA-O 3.43Å; M196-F253 WeakPolarHBondContact CB-O 3.39Å |
| 197 | D | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 23.9 Ų | 23.9 | 3% | 0.027 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 168.5 | 175.6 | -138.6 | -32.1 | 0 | 0 | 0 | 111.3 | L166 D167 L252 F253 | L166-D197 PolarHBondContact N-OD2 3.23Å; D167-D197 PolarHBondContact N-OD2 2.72Å; D197-L252 CarbonylContact O-C 3.5Å; D197-L252 VanDerWaalsContact O-CA 3.31Å; D197-L252 WeakPolarHBondContact O-CA 3.46Å; D197-L252 WeakPolarHBondContact O-CB 3.48Å; D197-F253 HydrophobicContact CB-CD1 4.35Å; D197-F253 HydrophobicContact CB-CE1 3.45Å; D197-F253 VanDerWaalsContact CB-CE1 3.45Å; D197-F253 HydrophobicContact CB-CZ 3.6Å; D197-F253 PolarHBondContact N-O 3.18Å; D197-F253 VanDerWaalsContact O-CD1 3.3Å; D197-F253 WeakPolarHBondContact O-CD1 3.45Å; D197-F253 PolarHBondContact O-N 2.76Å |
| 198 | A | 98.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 6% | 0.058 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 140.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D167 N249 | D167-A198 VanDerWaalsContact OD2-O 3.05Å; A198-N249 HydrophobicContact CB-CB 3.99Å |
| 199 | L | 98.8 | Very high | 97.5 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 5% | 0.052 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -91.1 | 135.2 | 174.1 | -70.5 | 172.3 | 0 | 0 | 0 | 110.4 | S201 V237 N249 E250 G251 L252 F253 | L199-S201 PolarHBondContact O-N 3.03Å; L199-V237 HydrophobicContact CD1-CG1 3.89Å; L199-V237 HydrophobicContact CD1-CG2 4.3Å; L199-N249 CarbonylContact O-C 3.47Å; L199-N249 WeakPolarHBondContact O-CA 3.27Å; L199-E250 WeakPolarHBondContact CB-O 3.46Å; L199-E250 PolarHBondContact O-N 3.1Å; L199-G251 PolarHBondContact N-O 2.95Å; L199-L252 WeakPolarHBondContact CD1-O 3.39Å; L199-F253 HydrophobicContact CD1-CB 4.4Å; L199-F253 HydrophobicContact CD2-CB 4.4Å; L199-F253 HydrophobicContact CD2-CD1 3.65Å; L199-F253 HydrophobicContact CD2-CE1 4.41Å; L199-F253 HydrophobicContact CD2-CG 4.42Å; L199-F253 HydrophobicContact CG-CB 4.39Å; L199-F253 HydrophobicContact CG-CD1 4.04Å |
| 200 | K | 98.6 | Very high | 97.4 | Very high | 100 Ų | 100 | 34.1 Ų | 34.1 | 44% | 0.435 | 17% | 0.172 | S | C | . | . | S | Bend | trans | 52.2 | 22.2 | 176.4 | -51.9 | -175.9 | -164.7 | 166.6 | 0 | 114.7 | L216 E250 | K200-L216 PolarHBondContact N-O 2.79Å; K200-E250 HydrophobicContact CB-CB 4.3Å; K200-E250 HydrophobicContact CD-CB 4.16Å; K200-E250 HydrophobicContact CD-CG 4.41Å; K200-E250 WeakPolarHBondContact CD-OE2 3.38Å; K200-E250 IonicContact NZ-OE2 3.23Å; K200-E250 PolarHBondContact NZ-OE2 2.86Å |
| 201 | S | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | trans | -75.4 | 131.3 | 175.5 | -171.7 | 0 | 0 | 0 | 0 | 110 | L199 Y203 S213 L214 P215 | L199-S201 PolarHBondContact O-N 3.03Å; S201-Y203 PolarHBondContact OG-O 3Å; S201-Y203 VanDerWaalsContact OG-O 3.09Å; S201-S213 CarbonylContact O-C 3.4Å; S201-S213 PolarHBondContact O-OG 2.99Å; S201-L214 CarbonylContact O-C 3.6Å; S201-L214 VanDerWaalsContact O-C 3.31Å; S201-P215 WeakPolarHBondContact O-CA 3.32Å; S201-P215 WeakPolarHBondContact O-CB 3.24Å; S201-P215 VanDerWaalsContact O-N 3.12Å | ||
| 202 | S | 98.4 | Very high | 97.5 | Very high | 48 Ų | 48 | 34.3 Ų | 34.3 | 34% | 0.336 | 17% | 0.17 | S | C | . | . | trans | -104 | -15.9 | 173.2 | 65.6 | 0 | 0 | 0 | 0 | 112.6 | S213 N248 | S202-S213 CarbonylContact C-O 3.59Å; S202-S213 VanDerWaalsContact CA-O 3.3Å; S202-S213 WeakPolarHBondContact CA-O 3.15Å; S202-S213 PolarHBondContact O-N 3.25Å; S202-N248 PolarHBondContact N-OD1 3.49Å; S202-N248 VanDerWaalsContact OG-CG 3.3Å; S202-N248 PolarHBondContact OG-ND2 3.05Å; S202-N248 PolarHBondContact OG-OD1 3.34Å | ||
| 203 | Y | 98.5 | Very high | 97.5 | Very high | 47 Ų | 47 | 33.8 Ų | 33.8 | 18% | 0.184 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 163.9 | 178.1 | 72.7 | -92.4 | 0 | 0 | 0 | 112.1 | S201 M205 K210 F211 A247 N248 | S201-Y203 PolarHBondContact OG-O 3Å; S201-Y203 VanDerWaalsContact OG-O 3.09Å; Y203-M205 HydrophobicContact CD2-CG 4.17Å; Y203-M205 HydrophobicContact CD2-SD 4.02Å; Y203-M205 HydrophobicContact CE2-CG 4.03Å; Y203-M205 HydrophobicContact CE2-SD 4.17Å; Y203-K210 HydrophobicContact CD2-CD 4.38Å; Y203-K210 HydrophobicContact CD2-CG 4.18Å; Y203-K210 HydrophobicContact CG-CD 4.3Å; Y203-K210 HydrophobicContact CG-CG 4.29Å; Y203-F211 CarbonylContact C-O 3.58Å; Y203-F211 WeakPolarHBondContact CA-O 3.1Å; Y203-F211 VanDerWaalsContact CB-O 3.25Å; Y203-F211 WeakPolarHBondContact CB-O 3.44Å; Y203-A247 WeakPolarHBondContact O-CB 3.49Å; Y203-N248 HydrophobicContact CD1-CB 4.38Å; Y203-N248 WeakPolarHBondContact CD1-OD1 3.22Å; Y203-N248 HydrophobicContact CE1-CB 3.7Å; Y203-N248 PolarHBondContact N-OD1 2.86Å |
| 204 | Y | 98.5 | Very high | 97.5 | Very high | 31 Ų | 31 | 34.7 Ų | 34.7 | 12% | 0.122 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 160 | 164.5 | 69.5 | -77.9 | 0 | 0 | 0 | 110.2 | Y11 Y20 A168 I206 F211 M246 | Y11-Y204 WeakPolarHBondContact CE1-OH 3.44Å; Y11-Y204 PolarHBondContact OH-OH 3.33Å; Y20-Y204 HydrophobicContact CE2-CE2 4.37Å; A168-Y204 HydrophobicContact CB-CE1 3.99Å; Y204-I206 HydrophobicContact CD2-CG1 4.2Å; Y204-I206 HydrophobicContact CE2-CD1 3.87Å; Y204-I206 HydrophobicContact CE2-CG1 3.91Å; Y204-F211 HydrophobicContact CD1-CB 3.81Å; Y204-F211 HydrophobicContact CD2-CB 4.39Å; Y204-F211 HydrophobicContact CE1-CB 3.26Å; Y204-F211 HydrophobicContact CE1-CG 4.23Å; Y204-F211 HydrophobicContact CE2-CB 3.94Å; Y204-F211 HydrophobicContact CE2-CD2 4.22Å; Y204-F211 HydrophobicContact CE2-CG 4.2Å; Y204-F211 HydrophobicContact CG-CB 4.34Å; Y204-F211 AromaticContact CZ-CG 3.8Å; Y204-F211 PolarHBondContact N-O 3.28Å; Y204-F211 PolarHBondContact O-N 3.08Å; Y204-M246 CarbonylContact C-O 3.46Å; Y204-M246 VanDerWaalsContact CA-O 3.25Å; Y204-M246 WeakPolarHBondContact CA-O 3.32Å |
| 205 | M | 98 | Very high | 97.4 | Very high | 34 Ų | 34 | 38.1 Ų | 38.1 | 17% | 0.167 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 139.8 | -173.6 | -58.5 | -63.1 | -62.5 | 0 | 0 | 111.3 | Y24 Y203 E208 Q209 K210 T245 M246 | Y24-M205 VanDerWaalsContact CE2-O 3.24Å; Y24-M205 WeakPolarHBondContact CE2-O 3.45Å; Y24-M205 PolarHBondContact OH-N 3.42Å; Y24-M205 PolarHBondContact OH-O 2.77Å; Y203-M205 HydrophobicContact CD2-CG 4.17Å; Y203-M205 HydrophobicContact CD2-SD 4.02Å; Y203-M205 HydrophobicContact CE2-CG 4.03Å; Y203-M205 HydrophobicContact CE2-SD 4.17Å; M205-E208 WeakPolarHBondContact CE-O 3.3Å; M205-Q209 CarbonylContact C-O 3.54Å; M205-Q209 WeakPolarHBondContact CA-O 3.34Å; M205-K210 HydrophobicContact CE-CB 4.1Å; M205-K210 HydrophobicContact SD-CB 3.57Å; M205-K210 VanDerWaalsContact SD-CB 3.57Å; M205-K210 HydrophobicContact SD-CD 4.32Å; M205-K210 HydrophobicContact SD-CG 3.69Å; M205-T245 WeakPolarHBondContact CG-O 3.17Å; M205-M246 WeakPolarHBondContact CG-O 3.49Å; M205-M246 PolarHBondContact N-O 2.68Å |
| 206 | I | 95.1 | Very high | 97.4 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 117.6 | 168.2 | -49.1 | -179.7 | 0 | 0 | 0 | 106.8 | F15 D19 Y20 Y204 E208 Q209 F211 | F15-I206 HydrophobicContact CD1-CD1 4.4Å; F15-I206 HydrophobicContact CD2-CD1 3.39Å; F15-I206 HydrophobicContact CE1-CD1 4.21Å; F15-I206 HydrophobicContact CE2-CD1 3.2Å; F15-I206 HydrophobicContact CG-CD1 4.02Å; F15-I206 HydrophobicContact CZ-CD1 3.64Å; D19-I206 HydrophobicContact CB-CG2 3.68Å; Y20-I206 HydrophobicContact CD2-CD1 3.8Å; Y20-I206 HydrophobicContact CD2-CG1 3.98Å; Y20-I206 HydrophobicContact CG-CD1 4.31Å; Y204-I206 HydrophobicContact CD2-CG1 4.2Å; Y204-I206 HydrophobicContact CE2-CD1 3.87Å; Y204-I206 HydrophobicContact CE2-CG1 3.91Å; I206-E208 PolarHBondContact O-N 3.29Å; I206-Q209 PolarHBondContact N-O 3.41Å; I206-Q209 WeakPolarHBondContact O-CA 3.4Å; I206-Q209 VanDerWaalsContact O-CB 3.3Å; I206-Q209 WeakPolarHBondContact O-CB 3.25Å; I206-Q209 PolarHBondContact O-N 3.17Å; I206-F211 HydrophobicContact CB-CD2 4.38Å; I206-F211 HydrophobicContact CB-CE2 3.97Å; I206-F211 HydrophobicContact CD1-CD2 3.82Å; I206-F211 HydrophobicContact CD1-CE2 3.51Å; I206-F211 HydrophobicContact CD1-CZ 4.17Å; I206-F211 HydrophobicContact CG1-CD2 3.84Å; I206-F211 HydrophobicContact CG1-CE2 3.77Å |
| 207 | G | 88.7 | Confident | 97.4 | Very high | 23 Ų | 23 | 39.5 Ų | 39.5 | 24% | 0.237 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | -126.5 | -167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | K23 | K23-G207 VanDerWaalsContact CE-N 3.33Å; K23-G207 VanDerWaalsContact NZ-C 3.3Å; K23-G207 VanDerWaalsContact NZ-N 3.12Å; K23-G207 PolarHBondContact NZ-O 2.98Å |
| 208 | E | 91.3 | Very high | 97.4 | Very high | 194 Ų | 194 | 43.9 Ų | 43.9 | 91% | 0.907 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -4.7 | 172 | -59.3 | -176.9 | 161.4 | 0 | 0 | 112.6 | M205 I206 | M205-E208 WeakPolarHBondContact CE-O 3.3Å; I206-E208 PolarHBondContact O-N 3.29Å |
| 209 | Q | 96.1 | Very high | 97.4 | Very high | 68 Ų | 68 | 50.3 Ų | 50.3 | 32% | 0.318 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 124.2 | -177.3 | -173.4 | 62.7 | 51.7 | 0 | 0 | 110.7 | H14 M205 I206 F211 | H14-Q209 HydrophobicContact CB-CG 4.04Å; M205-Q209 CarbonylContact C-O 3.54Å; M205-Q209 WeakPolarHBondContact CA-O 3.34Å; I206-Q209 PolarHBondContact N-O 3.41Å; I206-Q209 WeakPolarHBondContact O-CA 3.4Å; I206-Q209 VanDerWaalsContact O-CB 3.3Å; I206-Q209 WeakPolarHBondContact O-CB 3.25Å; I206-Q209 PolarHBondContact O-N 3.17Å; Q209-F211 HydrophobicContact CB-CE2 3.83Å; Q209-F211 HydrophobicContact CB-CZ 4.48Å; Q209-F211 HydrophobicContact CG-CD2 3.98Å; Q209-F211 HydrophobicContact CG-CE2 3.27Å; Q209-F211 HydrophobicContact CG-CZ 3.58Å |
| 210 | K | 97.6 | Very high | 97.4 | Very high | 105 Ų | 105 | 51.4 Ų | 51.4 | 46% | 0.457 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 131.7 | 172.4 | -171.4 | 174.6 | -176.1 | 177.4 | 0 | 110.4 | Y203 M205 | Y203-K210 HydrophobicContact CD2-CD 4.38Å; Y203-K210 HydrophobicContact CD2-CG 4.18Å; Y203-K210 HydrophobicContact CG-CD 4.3Å; Y203-K210 HydrophobicContact CG-CG 4.29Å; M205-K210 HydrophobicContact CE-CB 4.1Å; M205-K210 HydrophobicContact SD-CB 3.57Å; M205-K210 VanDerWaalsContact SD-CB 3.57Å; M205-K210 HydrophobicContact SD-CD 4.32Å; M205-K210 HydrophobicContact SD-CG 3.69Å |
| 211 | F | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 141.6 | 171.8 | -68.7 | -94.2 | 0 | 0 | 0 | 109.3 | T6 Y11 H14 F15 Y203 Y204 I206 Q209 | T6-F211 HydrophobicContact CG2-CD1 3.82Å; T6-F211 HydrophobicContact CG2-CE1 4.39Å; Y11-F211 HydrophobicContact CD1-CD1 4.23Å; Y11-F211 HydrophobicContact CD1-CE1 4.08Å; Y11-F211 HydrophobicContact CD2-CD1 4.35Å; Y11-F211 HydrophobicContact CD2-CE1 4.41Å; Y11-F211 AromaticContact CE1-CD1 3.78Å; Y11-F211 HydrophobicContact CE1-CD1 3.78Å; Y11-F211 HydrophobicContact CE1-CE1 4.09Å; Y11-F211 AromaticContact CE2-CD1 3.91Å; Y11-F211 HydrophobicContact CE2-CD1 3.91Å; Y11-F211 HydrophobicContact CE2-CE1 4.42Å; Y11-F211 HydrophobicContact CG-CD1 4.47Å; Y11-F211 HydrophobicContact CG-CE1 4.22Å; Y11-F211 AromaticContact CZ-CD1 3.57Å; H14-F211 HydrophobicContact CB-CZ 4.44Å; F15-F211 HydrophobicContact CB-CE1 4.3Å; F15-F211 HydrophobicContact CB-CZ 4.05Å; F15-F211 HydrophobicContact CD2-CE1 4.12Å; F15-F211 HydrophobicContact CD2-CZ 4.05Å; F15-F211 HydrophobicContact CG-CZ 4.44Å; Y203-F211 CarbonylContact C-O 3.58Å; Y203-F211 WeakPolarHBondContact CA-O 3.1Å; Y203-F211 VanDerWaalsContact CB-O 3.25Å; Y203-F211 WeakPolarHBondContact CB-O 3.44Å; Y204-F211 HydrophobicContact CD1-CB 3.81Å; Y204-F211 HydrophobicContact CD2-CB 4.39Å; Y204-F211 HydrophobicContact CE1-CB 3.26Å; Y204-F211 HydrophobicContact CE1-CG 4.23Å; Y204-F211 HydrophobicContact CE2-CB 3.94Å; Y204-F211 HydrophobicContact CE2-CD2 4.22Å; Y204-F211 HydrophobicContact CE2-CG 4.2Å; Y204-F211 HydrophobicContact CG-CB 4.34Å; Y204-F211 AromaticContact CZ-CG 3.8Å; Y204-F211 PolarHBondContact N-O 3.28Å; Y204-F211 PolarHBondContact O-N 3.08Å; I206-F211 HydrophobicContact CB-CD2 4.38Å; I206-F211 HydrophobicContact CB-CE2 3.97Å; I206-F211 HydrophobicContact CD1-CD2 3.82Å; I206-F211 HydrophobicContact CD1-CE2 3.51Å; I206-F211 HydrophobicContact CD1-CZ 4.17Å; I206-F211 HydrophobicContact CG1-CD2 3.84Å; I206-F211 HydrophobicContact CG1-CE2 3.77Å; Q209-F211 HydrophobicContact CB-CE2 3.83Å; Q209-F211 HydrophobicContact CB-CZ 4.48Å; Q209-F211 HydrophobicContact CG-CD2 3.98Å; Q209-F211 HydrophobicContact CG-CE2 3.27Å; Q209-F211 HydrophobicContact CG-CZ 3.58Å |
| 212 | S | 98.6 | Very high | 97.4 | Very high | 20 Ų | 20 | 48.2 Ų | 48.2 | 14% | 0.14 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 154.7 | -179.9 | -54.1 | 0 | 0 | 0 | 0 | 110.9 | F5 T6 | F5-S212 VanDerWaalsContact CD2-CB 3.42Å; T6-S212 PolarHBondContact N-OG 2.96Å; T6-S212 WeakPolarHBondContact OG1-CB 3.39Å; T6-S212 PolarHBondContact OG1-N 3.28Å; T6-S212 PolarHBondContact OG1-OG 3.41Å |
| 213 | S | 98.8 | Very high | 97.4 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 7% | 0.07 | 25% | 0.249 | C | C | . | . | trans | -140.7 | 145.7 | 171.8 | 178.2 | 0 | 0 | 0 | 0 | 108.1 | D167 S201 S202 P215 | D167-S213 CarbonylContact O-C 3.58Å; D167-S213 WeakPolarHBondContact O-CA 3.48Å; S201-S213 CarbonylContact O-C 3.4Å; S201-S213 PolarHBondContact O-OG 2.99Å; S202-S213 CarbonylContact C-O 3.59Å; S202-S213 VanDerWaalsContact CA-O 3.3Å; S202-S213 WeakPolarHBondContact CA-O 3.15Å; S202-S213 PolarHBondContact O-N 3.25Å; S213-P215 VanDerWaalsContact O-CD 3.32Å; S213-P215 WeakPolarHBondContact O-CD 3.39Å | ||
| 214 | L | 98.7 | Very high | 97.4 | Very high | 19 Ų | 19 | 45.5 Ų | 45.5 | 10% | 0.099 | 24% | 0.24 | C | C | . | . | trans | -80.8 | 114 | 177.2 | -177.5 | 63.1 | 0 | 0 | 0 | 109.5 | D167 C170 Y176 S201 L216 | D167-L214 HydrophobicContact CB-CB 4.26Å; D167-L214 WeakPolarHBondContact O-CB 3.39Å; D167-L214 PolarHBondContact O-N 3.06Å; C170-L214 HydrophobicContact CB-CD2 4.27Å; C170-L214 WeakPolarHBondContact O-CB 3.47Å; Y176-L214 HydrophobicContact CD2-CD2 4.28Å; Y176-L214 HydrophobicContact CG-CD2 4.38Å; S201-L214 CarbonylContact O-C 3.6Å; S201-L214 VanDerWaalsContact O-C 3.31Å; L214-L216 HydrophobicContact CD2-CD1 3.92Å; L214-L216 HydrophobicContact CD2-CD2 3.9Å; L214-L216 HydrophobicContact CD2-CG 3.92Å; L214-L216 HydrophobicContact CG-CD1 4.38Å; L214-L216 HydrophobicContact CG-CD2 3.83Å; L214-L216 HydrophobicContact CG-CG 3.84Å; L214-L216 PolarHBondContact O-N 3.19Å | ||
| 215 | P | 98.6 | Very high | 97.4 | Very high | 73 Ų | 73 | 44 Ų | 44 | 47% | 0.474 | 23% | 0.234 | S | C | . | . | trans | -77.3 | 85.7 | -174 | 30.2 | -35.6 | 0 | 0 | 0 | 111.4 | S201 S213 | S201-P215 WeakPolarHBondContact O-CA 3.32Å; S201-P215 WeakPolarHBondContact O-CB 3.24Å; S201-P215 VanDerWaalsContact O-N 3.12Å; S213-P215 VanDerWaalsContact O-CD 3.32Å; S213-P215 WeakPolarHBondContact O-CD 3.39Å | ||
| 216 | L | 98.8 | Very high | 97.5 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | trans | -94.9 | 138.5 | 176.7 | -60.6 | -174.4 | 0 | 0 | 0 | 112.1 | L173 Y176 K200 L214 A220 V221 | L173-L216 HydrophobicContact CD1-CD1 4.43Å; L173-L216 HydrophobicContact CD1-CD2 4.16Å; Y176-L216 HydrophobicContact CD1-CD1 4.01Å; Y176-L216 HydrophobicContact CD2-CD1 3.8Å; Y176-L216 HydrophobicContact CE1-CD1 4.02Å; Y176-L216 HydrophobicContact CE2-CD1 3.81Å; Y176-L216 HydrophobicContact CG-CD1 3.9Å; K200-L216 PolarHBondContact N-O 2.79Å; L214-L216 HydrophobicContact CD2-CD1 3.92Å; L214-L216 HydrophobicContact CD2-CD2 3.9Å; L214-L216 HydrophobicContact CD2-CG 3.92Å; L214-L216 HydrophobicContact CG-CD1 4.38Å; L214-L216 HydrophobicContact CG-CD2 3.83Å; L214-L216 HydrophobicContact CG-CG 3.84Å; L214-L216 PolarHBondContact O-N 3.19Å; L216-A220 HydrophobicContact CD2-CB 4.37Å; L216-V221 HydrophobicContact CB-CG2 3.98Å; L216-V221 HydrophobicContact CD1-CG2 4.28Å | ||
| 217 | G | 98.6 | Very high | 97.6 | Very high | 18 Ų | 18 | 53 Ų | 53 | 19% | 0.186 | 27% | 0.274 | C | S | . | . | trans | -88.2 | 166.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E219 A220 V221 | G217-E219 VanDerWaalsContact C-N 3.3Å; G217-E219 PolarHBondContact O-N 3.2Å; G217-A220 PolarHBondContact O-N 2.94Å; G217-A220 VanDerWaalsContact O-N 3.16Å; G217-V221 PolarHBondContact O-N 3.37Å; G217-V221 VanDerWaalsContact O-N 3.16Å | ||
| 218 | R | 98.2 | Very high | 98 | Very high | 97 Ų | 97 | 53 Ų | 53 | 37% | 0.366 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -50.7 | -47.9 | 179.9 | 170.3 | 175.8 | 179.4 | 157.3 | 6.5 | 112.6 | A220 V221 E222 F235 | R218-A220 VanDerWaalsContact C-N 3.29Å; R218-A220 PolarHBondContact O-N 3.48Å; R218-V221 PolarHBondContact O-N 3.03Å; R218-E222 HydrophobicContact CG-CG 4.31Å; R218-E222 IonicContact CZ-OE1 2.67Å; R218-E222 VanDerWaalsContact CZ-OE1 3.32Å; R218-E222 IonicContact NE-OE1 2.72Å; R218-E222 PolarHBondContact NE-OE1 3.48Å; R218-E222 IonicContact NH2-OE1 2.84Å; R218-E222 PolarHBondContact NH2-OE1 3.39Å; R218-E222 WeakPolarHBondContact O-CG 3.45Å; R218-E222 PolarHBondContact O-N 3.04Å; R218-F235 HydrophobicContact CB-CE1 4.47Å; R218-F235 HydrophobicContact CB-CZ 4.32Å; R218-F235 HydrophobicContact CG-CD1 4.48Å; R218-F235 HydrophobicContact CG-CE1 3.73Å; R218-F235 HydrophobicContact CG-CE2 4.48Å; R218-F235 HydrophobicContact CG-CZ 3.73Å |
| 219 | E | 98.5 | Very high | 98.3 | Very high | 142 Ų | 142 | 45 Ų | 45 | 66% | 0.664 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.5 | -36.5 | -174.4 | -61 | 72.1 | -157.4 | 0 | 0 | 111.4 | G217 A223 | G217-E219 VanDerWaalsContact C-N 3.3Å; G217-E219 PolarHBondContact O-N 3.2Å; E219-A223 VanDerWaalsContact O-CB 3.28Å; E219-A223 WeakPolarHBondContact O-CB 3.02Å; E219-A223 PolarHBondContact O-N 3.46Å |
| 220 | A | 98.6 | Very high | 98.4 | Very high | 32 Ų | 32 | 42 Ų | 42 | 26% | 0.264 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.9 | -41 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | L216 G217 R218 A224 | L216-A220 HydrophobicContact CD2-CB 4.37Å; G217-A220 PolarHBondContact O-N 2.94Å; G217-A220 VanDerWaalsContact O-N 3.16Å; R218-A220 VanDerWaalsContact C-N 3.29Å; R218-A220 PolarHBondContact O-N 3.48Å; A220-A224 VanDerWaalsContact O-CB 3.31Å; A220-A224 WeakPolarHBondContact O-CB 3.25Å; A220-A224 PolarHBondContact O-N 2.88Å |
| 221 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.7 | -51.1 | 174.7 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | L216 G217 R218 A223 A224 V225 F235 F253 | L216-V221 HydrophobicContact CB-CG2 3.98Å; L216-V221 HydrophobicContact CD1-CG2 4.28Å; G217-V221 PolarHBondContact O-N 3.37Å; G217-V221 VanDerWaalsContact O-N 3.16Å; R218-V221 PolarHBondContact O-N 3.03Å; V221-A223 VanDerWaalsContact C-N 3.32Å; V221-A223 PolarHBondContact O-N 3.47Å; V221-A224 PolarHBondContact O-N 3.47Å; V221-V225 HydrophobicContact CG1-CG2 4.35Å; V221-V225 VanDerWaalsContact O-CG2 3.28Å; V221-V225 WeakPolarHBondContact O-CG2 3.46Å; V221-V225 PolarHBondContact O-N 3.13Å; V221-F235 HydrophobicContact CG1-CE2 4.1Å; V221-F253 HydrophobicContact CB-CZ 4.5Å; V221-F253 HydrophobicContact CG1-CD2 4.28Å; V221-F253 HydrophobicContact CG1-CE1 4.1Å; V221-F253 HydrophobicContact CG1-CE2 3.72Å; V221-F253 HydrophobicContact CG1-CZ 3.62Å; V221-F253 HydrophobicContact CG2-CD1 4.4Å; V221-F253 HydrophobicContact CG2-CE1 3.81Å; V221-F253 HydrophobicContact CG2-CZ 4.09Å |
| 222 | E | 98.7 | Very high | 98.5 | Very high | 37 Ų | 37 | 42.2 Ų | 42.2 | 17% | 0.173 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.9 | -43.5 | 179.8 | -73.2 | -172.2 | -175.6 | 0 | 0 | 111.9 | R218 K226 I232 F235 | R218-E222 HydrophobicContact CG-CG 4.31Å; R218-E222 IonicContact CZ-OE1 2.67Å; R218-E222 VanDerWaalsContact CZ-OE1 3.32Å; R218-E222 IonicContact NE-OE1 2.72Å; R218-E222 PolarHBondContact NE-OE1 3.48Å; R218-E222 IonicContact NH2-OE1 2.84Å; R218-E222 PolarHBondContact NH2-OE1 3.39Å; R218-E222 WeakPolarHBondContact O-CG 3.45Å; R218-E222 PolarHBondContact O-N 3.04Å; E222-K226 WeakPolarHBondContact O-CB 3.37Å; E222-K226 VanDerWaalsContact O-CG 3.27Å; E222-K226 WeakPolarHBondContact O-CG 3.43Å; E222-K226 PolarHBondContact O-N 3.15Å; E222-K226 IonicContact OE2-NZ 3.68Å; E222-I232 HydrophobicContact CB-CD1 3.88Å; E222-I232 HydrophobicContact CG-CD1 3.86Å; E222-F235 HydrophobicContact CG-CD2 3.85Å; E222-F235 HydrophobicContact CG-CE2 3.79Å |
| 223 | A | 98.8 | Very high | 98.5 | Very high | 38 Ų | 38 | 46.5 Ų | 46.5 | 31% | 0.314 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | E219 V221 V225 K226 E227 | E219-A223 VanDerWaalsContact O-CB 3.28Å; E219-A223 WeakPolarHBondContact O-CB 3.02Å; E219-A223 PolarHBondContact O-N 3.46Å; V221-A223 VanDerWaalsContact C-N 3.32Å; V221-A223 PolarHBondContact O-N 3.47Å; A223-V225 VanDerWaalsContact C-N 3.33Å; A223-V225 PolarHBondContact O-N 3.49Å; A223-K226 PolarHBondContact O-N 2.72Å; A223-E227 WeakPolarHBondContact O-CB 3.48Å; A223-E227 WeakPolarHBondContact O-CG 3.43Å; A223-E227 PolarHBondContact O-N 3.48Å |
| 224 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.7 | -39.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L173 Y176 R177 L180 A220 V221 A228 | L173-A224 HydrophobicContact CD1-CB 4.44Å; Y176-A224 HydrophobicContact CD1-CB 4.01Å; Y176-A224 HydrophobicContact CE1-CB 3.99Å; R177-A224 HydrophobicContact CG-CB 4Å; L180-A224 HydrophobicContact CD1-CB 3.88Å; A220-A224 VanDerWaalsContact O-CB 3.31Å; A220-A224 WeakPolarHBondContact O-CB 3.25Å; A220-A224 PolarHBondContact O-N 2.88Å; V221-A224 PolarHBondContact O-N 3.47Å; A224-A228 WeakPolarHBondContact O-CB 3.22Å; A224-A228 PolarHBondContact O-N 2.91Å |
| 225 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.9 | -44.5 | 177.9 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | L180 V221 A223 A228 Y230 I232 L255 | L180-V225 HydrophobicContact CD1-CG2 4.1Å; V221-V225 HydrophobicContact CG1-CG2 4.35Å; V221-V225 VanDerWaalsContact O-CG2 3.28Å; V221-V225 WeakPolarHBondContact O-CG2 3.46Å; V221-V225 PolarHBondContact O-N 3.13Å; A223-V225 VanDerWaalsContact C-N 3.33Å; A223-V225 PolarHBondContact O-N 3.49Å; V225-A228 PolarHBondContact O-N 3.39Å; V225-Y230 HydrophobicContact CG1-CG 4.33Å; V225-Y230 WeakPolarHBondContact O-CD2 3.43Å; V225-Y230 PolarHBondContact O-N 3.19Å; V225-I232 HydrophobicContact CB-CD1 4.36Å; V225-I232 HydrophobicContact CG1-CD1 4.23Å; V225-I232 HydrophobicContact CG1-CG1 3.93Å; V225-L255 HydrophobicContact CB-CD2 4.41Å; V225-L255 HydrophobicContact CG1-CD1 4.31Å; V225-L255 HydrophobicContact CG1-CD2 4.17Å; V225-L255 HydrophobicContact CG2-CD2 3.56Å |
| 226 | K | 98.5 | Very high | 98.4 | Very high | 114 Ų | 114 | 48 Ų | 48 | 50% | 0.496 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.7 | -46 | 175.9 | -72.8 | 169 | -177 | 163.2 | 0 | 111.7 | E222 A223 A228 G229 I232 | E222-K226 WeakPolarHBondContact O-CB 3.37Å; E222-K226 VanDerWaalsContact O-CG 3.27Å; E222-K226 WeakPolarHBondContact O-CG 3.43Å; E222-K226 PolarHBondContact O-N 3.15Å; E222-K226 IonicContact OE2-NZ 3.68Å; A223-K226 PolarHBondContact O-N 2.72Å; K226-A228 PolarHBondContact O-N 2.89Å; K226-G229 PolarHBondContact O-N 3.46Å; K226-I232 HydrophobicContact CG-CD1 4.19Å; K226-I232 HydrophobicContact CG-CG1 4.33Å |
| 227 | E | 97.7 | Very high | 98.4 | Very high | 113 Ų | 113 | 49.9 Ų | 49.9 | 53% | 0.528 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.9 | -29.6 | 176 | -73.7 | 170.4 | -162.3 | 0 | 0 | 112.7 | R177 A223 G229 | R177-E227 IonicContact CZ-OE1 3.06Å; R177-E227 IonicContact CZ-OE2 2.74Å; R177-E227 VanDerWaalsContact CZ-OE2 3.23Å; R177-E227 IonicContact NE-OE1 2.7Å; R177-E227 IonicContact NE-OE2 2.7Å; R177-E227 PolarHBondContact NE-OE2 3.02Å; R177-E227 IonicContact NH2-OE1 2.73Å; R177-E227 PolarHBondContact NH2-OE1 3.27Å; R177-E227 IonicContact NH2-OE2 2.91Å; R177-E227 PolarHBondContact NH2-OE2 3.12Å; A223-E227 WeakPolarHBondContact O-CB 3.48Å; A223-E227 WeakPolarHBondContact O-CG 3.43Å; A223-E227 PolarHBondContact O-N 3.48Å; E227-G229 PolarHBondContact O-N 2.9Å |
| 228 | A | 97.7 | Very high | 98.4 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -1.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L180 A224 V225 K226 Y230 | L180-A228 HydrophobicContact CB-CB 3.86Å; L180-A228 HydrophobicContact CD1-CB 4.39Å; A224-A228 WeakPolarHBondContact O-CB 3.22Å; A224-A228 PolarHBondContact O-N 2.91Å; V225-A228 PolarHBondContact O-N 3.39Å; K226-A228 PolarHBondContact O-N 2.89Å; A228-Y230 HydrophobicContact CB-CD2 3.83Å; A228-Y230 HydrophobicContact CB-CE2 3.82Å |
| 229 | G | 97.7 | Very high | 98.3 | Very high | 26 Ų | 26 | 49.8 Ų | 49.8 | 27% | 0.268 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 33.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | K226 E227 L260 | K226-G229 PolarHBondContact O-N 3.46Å; E227-G229 PolarHBondContact O-N 2.9Å; G229-L260 WeakPolarHBondContact O-CB 3.44Å; G229-L260 WeakPolarHBondContact O-CG 3.49Å; G229-L260 PolarHBondContact O-N 3.46Å |
| 230 | Y | 98.6 | Very high | 98.2 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 2% | 0.024 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139.3 | 176.9 | -60.4 | -98.1 | 0 | 0 | 0 | 111.4 | G184 L187 L193 V225 A228 R258 K259 | G184-Y230 WeakPolarHBondContact CA-OH 3.42Å; L187-Y230 HydrophobicContact CD2-CE1 3.75Å; L193-Y230 HydrophobicContact CB-CD1 3.85Å; L193-Y230 HydrophobicContact CB-CE1 3.54Å; L193-Y230 HydrophobicContact CD2-CD1 3.97Å; L193-Y230 HydrophobicContact CD2-CD2 4.18Å; L193-Y230 HydrophobicContact CD2-CE1 3.63Å; L193-Y230 HydrophobicContact CD2-CE2 3.89Å; L193-Y230 HydrophobicContact CD2-CG 4.23Å; L193-Y230 HydrophobicContact CG-CE1 4.23Å; V225-Y230 HydrophobicContact CG1-CG 4.33Å; V225-Y230 WeakPolarHBondContact O-CD2 3.43Å; V225-Y230 PolarHBondContact O-N 3.19Å; A228-Y230 HydrophobicContact CB-CD2 3.83Å; A228-Y230 HydrophobicContact CB-CE2 3.82Å; Y230-R258 CarbonylContact C-O 3.51Å; Y230-R258 VanDerWaalsContact CA-O 3.29Å; Y230-R258 WeakPolarHBondContact CA-O 3.35Å; Y230-K259 HydrophobicContact CD1-CB 3.96Å; Y230-K259 HydrophobicContact CE1-CB 3.74Å; Y230-K259 HydrophobicContact CE1-CG 4.23Å |
| 231 | T | 98.4 | Very high | 98.1 | Very high | 72 Ų | 72 | 47.1 Ų | 47.1 | 44% | 0.442 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 124.8 | 162.7 | -61.1 | 0 | 0 | 0 | 0 | 108.3 | E233 G257 R258 L260 | T231-E233 PolarHBondContact O-N 3.27Å; T231-G257 CarbonylContact O-C 3.5Å; T231-G257 WeakPolarHBondContact O-CA 3.49Å; T231-R258 PolarHBondContact N-O 3.39Å; T231-R258 PolarHBondContact O-N 3.32Å; T231-L260 VanDerWaalsContact OG1-CD2 3.31Å; T231-L260 WeakPolarHBondContact OG1-CD2 3.22Å |
| 232 | I | 98.6 | Very high | 98.1 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 19% | 0.185 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 113.6 | 174.8 | -60.2 | -179.1 | 0 | 0 | 0 | 108.2 | E222 V225 K226 F235 L255 | E222-I232 HydrophobicContact CB-CD1 3.88Å; E222-I232 HydrophobicContact CG-CD1 3.86Å; V225-I232 HydrophobicContact CB-CD1 4.36Å; V225-I232 HydrophobicContact CG1-CD1 4.23Å; V225-I232 HydrophobicContact CG1-CG1 3.93Å; K226-I232 HydrophobicContact CG-CD1 4.19Å; K226-I232 HydrophobicContact CG-CG1 4.33Å; I232-F235 HydrophobicContact CG2-CB 4.08Å; I232-L255 HydrophobicContact CB-CD1 4.34Å; I232-L255 HydrophobicContact CD1-CD1 4.18Å; I232-L255 HydrophobicContact CG1-CD1 3.93Å; I232-L255 HydrophobicContact CG2-CD1 3.77Å |
| 233 | E | 98.3 | Very high | 97.9 | Very high | 110 Ų | 110 | 48.2 Ų | 48.2 | 51% | 0.514 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -30.6 | 179 | -66.9 | -174.7 | 164.6 | 0 | 0 | 111.5 | T231 V256 R258 | T231-E233 PolarHBondContact O-N 3.27Å; E233-V256 PolarHBondContact N-O 3.2Å; E233-R258 HydrophobicContact CG-CB 3.98Å; E233-R258 WeakPolarHBondContact OE1-CB 3.39Å; E233-R258 WeakPolarHBondContact OE1-CG 3.47Å |
| 234 | W | 98.4 | Very high | 97.7 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 15% | 0.152 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 142.9 | 176.4 | 175.8 | 82.5 | 0 | 0 | 0 | 111.1 | N44 K47 I48 E236 S254 L255 V256 | N44-W234 HydrophobicContact CB-CH2 3.98Å; K47-W234 HydrophobicContact CD-CZ2 4.34Å; I48-W234 HydrophobicContact CD1-CE3 4.21Å; I48-W234 HydrophobicContact CD1-CH2 3.97Å; I48-W234 HydrophobicContact CD1-CZ3 3.46Å; I48-W234 VanDerWaalsContact CD1-CZ3 3.46Å; I48-W234 HydrophobicContact CG1-CE3 4.15Å; I48-W234 HydrophobicContact CG1-CH2 4.11Å; I48-W234 HydrophobicContact CG1-CZ3 3.73Å; W234-E236 HydrophobicContact CH2-CB 3.71Å; W234-E236 HydrophobicContact CZ2-CB 3.35Å; W234-E236 HydrophobicContact CZ2-CG 4.17Å; W234-E236 WeakPolarHBondContact CZ2-OE2 3.42Å; W234-E236 HydrophobicContact CZ3-CB 4.43Å; W234-S254 VanDerWaalsContact CH2-CB 3.46Å; W234-S254 VanDerWaalsContact CZ3-CB 3.41Å; W234-S254 WeakPolarHBondContact CZ3-O 3.48Å; W234-L255 WeakPolarHBondContact O-CA 3.36Å; W234-V256 HydrophobicContact CB-CB 4.32Å; W234-V256 HydrophobicContact CE3-CG2 3.87Å; W234-V256 HydrophobicContact CZ3-CG2 4.47Å; W234-V256 PolarHBondContact N-O 3.31Å; W234-V256 PolarHBondContact O-N 3.2Å |
| 235 | F | 98.6 | Very high | 97.5 | Very high | 27 Ų | 27 | 56.5 Ų | 56.5 | 12% | 0.118 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 124.8 | 176.6 | -167 | -67.5 | 0 | 0 | 0 | 109.3 | R218 V221 E222 I232 V237 F253 S254 L255 | R218-F235 HydrophobicContact CB-CE1 4.47Å; R218-F235 HydrophobicContact CB-CZ 4.32Å; R218-F235 HydrophobicContact CG-CD1 4.48Å; R218-F235 HydrophobicContact CG-CE1 3.73Å; R218-F235 HydrophobicContact CG-CE2 4.48Å; R218-F235 HydrophobicContact CG-CZ 3.73Å; V221-F235 HydrophobicContact CG1-CE2 4.1Å; E222-F235 HydrophobicContact CG-CD2 3.85Å; E222-F235 HydrophobicContact CG-CE2 3.79Å; I232-F235 HydrophobicContact CG2-CB 4.08Å; F235-V237 HydrophobicContact CD1-CG2 4.34Å; F235-V237 HydrophobicContact CE1-CG2 3.78Å; F235-F253 HydrophobicContact CE1-CB 3.68Å; F235-F253 HydrophobicContact CE1-CG 4.48Å; F235-F253 HydrophobicContact CE2-CB 4.41Å; F235-F253 HydrophobicContact CE2-CD2 4.09Å; F235-F253 HydrophobicContact CE2-CG 4.39Å; F235-F253 HydrophobicContact CZ-CB 3.52Å; F235-F253 AromaticContact CZ-CD2 3.98Å; F235-F253 HydrophobicContact CZ-CD2 3.98Å; F235-F253 AromaticContact CZ-CG 3.83Å; F235-F253 HydrophobicContact CZ-CG 3.83Å; F235-S254 CarbonylContact C-O 3.59Å; F235-S254 WeakPolarHBondContact CA-O 3.29Å; F235-L255 HydrophobicContact CD2-CB 4.22Å; F235-L255 HydrophobicContact CD2-CD1 4.26Å; F235-L255 HydrophobicContact CE2-CB 4.49Å |
| 236 | E | 98.3 | Very high | 97.4 | Very high | 67 Ų | 67 | 57.3 Ų | 57.3 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.6 | 178.3 | -173.3 | 156.4 | 160.1 | 0 | 0 | 110.8 | K47 W234 F253 S254 | K47-E236 IonicContact NZ-OE2 3.06Å; W234-E236 HydrophobicContact CH2-CB 3.71Å; W234-E236 HydrophobicContact CZ2-CB 3.35Å; W234-E236 HydrophobicContact CZ2-CG 4.17Å; W234-E236 WeakPolarHBondContact CZ2-OE2 3.42Å; W234-E236 HydrophobicContact CZ3-CB 4.43Å; E236-F253 CarbonylContact O-C 3.53Å; E236-F253 VanDerWaalsContact O-CA 3.24Å; E236-F253 WeakPolarHBondContact O-CA 3.45Å; E236-S254 PolarHBondContact N-O 2.96Å; E236-S254 PolarHBondContact O-N 3.42Å |
| 237 | V | 98.5 | Very high | 97.3 | Very high | 51 Ų | 51 | 52 Ų | 52 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 123.7 | 174.1 | 174.8 | 0 | 0 | 0 | 0 | 108.3 | L199 F235 L252 | L199-V237 HydrophobicContact CD1-CG1 3.89Å; L199-V237 HydrophobicContact CD1-CG2 4.3Å; F235-V237 HydrophobicContact CD1-CG2 4.34Å; F235-V237 HydrophobicContact CE1-CG2 3.78Å; V237-L252 CarbonylContact C-O 3.57Å; V237-L252 WeakPolarHBondContact CA-O 3.3Å |
| 238 | I | 97.9 | Very high | 97.3 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 109.8 | 171.9 | -57.2 | 170.1 | 0 | 0 | 0 | 106.9 | H40 L41 Q240 G251 L252 | H40-I238 HydrophobicContact CB-CD1 3.98Å; H40-I238 HydrophobicContact CB-CG1 4.2Å; H40-I238 HydrophobicContact CB-CG2 3.67Å; L41-I238 HydrophobicContact CD2-CD1 3.73Å; L41-I238 HydrophobicContact CG-CD1 4.3Å; I238-Q240 HydrophobicContact CG2-CB 4.04Å; I238-Q240 HydrophobicContact CG2-CG 4.17Å; I238-Q240 PolarHBondContact O-N 2.94Å; I238-G251 CarbonylContact O-C 3.5Å; I238-G251 WeakPolarHBondContact O-CA 3.42Å; I238-L252 HydrophobicContact CB-CB 4.17Å; I238-L252 HydrophobicContact CD1-CB 4.34Å; I238-L252 HydrophobicContact CG2-CD1 4.44Å; I238-L252 PolarHBondContact N-O 2.84Å; I238-L252 PolarHBondContact O-N 2.88Å |
| 239 | S | 96.4 | Very high | 97.4 | Very high | 108 Ų | 108 | 48.9 Ų | 48.9 | 76% | 0.755 | 29% | 0.286 | S | S | * | . | trans | -82.9 | 51.2 | -177.5 | -59.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 240 | Q | 96.2 | Very high | 97.4 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 28% | 0.276 | 30% | 0.3 | S | S | . | . | trans | -129.8 | 138.7 | 178.4 | -65.6 | -74.4 | 32.6 | 0 | 0 | 110.4 | Q36 I37 I238 N249 G251 L252 | Q36-Q240 VanDerWaalsContact OE1-NE2 3.07Å; I37-Q240 HydrophobicContact CD1-CB 4.37Å; I37-Q240 HydrophobicContact CG1-CB 3.69Å; I238-Q240 HydrophobicContact CG2-CB 4.04Å; I238-Q240 HydrophobicContact CG2-CG 4.17Å; I238-Q240 PolarHBondContact O-N 2.94Å; Q240-N249 PolarHBondContact O-ND2 3.36Å; Q240-G251 VanDerWaalsContact O-CA 3.26Å; Q240-G251 WeakPolarHBondContact O-CA 3.44Å; Q240-L252 VanDerWaalsContact O-CD1 3.27Å; Q240-L252 WeakPolarHBondContact O-CD1 3.32Å | ||
| 241 | S | 97.2 | Very high | 97.4 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 41% | 0.406 | 30% | 0.3 | S | S | . | . | trans | -108.3 | 146 | 175.8 | -68.4 | 0 | 0 | 0 | 0 | 110.1 | A33 I37 N249 | A33-S241 WeakPolarHBondContact CB-O 3.13Å; I37-S241 VanDerWaalsContact CD1-C 3.46Å; S241-N249 WeakPolarHBondContact CB-O 3.47Å; S241-N249 PolarHBondContact OG-O 3.49Å | ||
| 242 | Y | 97.3 | Very high | 97.4 | Very high | 23 Ų | 23 | 49.8 Ų | 49.8 | 9% | 0.09 | 28% | 0.279 | C | S | . | . | trans | -63 | 165.8 | 168.7 | -71.3 | -69.9 | 0 | 0 | 0 | 109.9 | Y24 E34 I37 S244 A247 N249 L252 | Y24-Y242 HydrophobicContact CD1-CD1 4.22Å; Y24-Y242 AromaticContact CD1-CE1 3.84Å; Y24-Y242 HydrophobicContact CD1-CE1 3.84Å; Y24-Y242 HydrophobicContact CE1-CD1 4.24Å; Y24-Y242 HydrophobicContact CE1-CE1 4.17Å; E34-Y242 HydrophobicContact CB-CD1 4.41Å; E34-Y242 HydrophobicContact CG-CD1 3.89Å; E34-Y242 HydrophobicContact CG-CE1 4.39Å; I37-Y242 HydrophobicContact CB-CE1 4.1Å; I37-Y242 HydrophobicContact CD1-CD1 3.38Å; I37-Y242 HydrophobicContact CD1-CD2 3.94Å; I37-Y242 HydrophobicContact CD1-CE1 3.58Å; I37-Y242 HydrophobicContact CD1-CE2 4.09Å; I37-Y242 HydrophobicContact CD1-CG 3.58Å; I37-Y242 HydrophobicContact CG1-CE1 4.44Å; I37-Y242 HydrophobicContact CG2-CE1 3.89Å; Y242-S244 PolarHBondContact O-N 3.48Å; Y242-A247 HydrophobicContact CD2-CB 4.08Å; Y242-A247 HydrophobicContact CG-CB 4.43Å; Y242-N249 VanDerWaalsContact CD2-OD1 3.28Å; Y242-N249 WeakPolarHBondContact CD2-OD1 3.34Å; Y242-N249 PolarHBondContact N-OD1 3.19Å; Y242-L252 HydrophobicContact CE2-CD2 4.15Å | ||
| 243 | S | 95.8 | Very high | 97.4 | Very high | 38 Ų | 38 | 48 Ų | 48 | 27% | 0.266 | 27% | 0.271 | S | S | . | . | trans | -55.2 | 144.2 | 173.2 | -57.8 | 0 | 0 | 0 | 0 | 110 | E34 T245 M246 A247 | E34-S243 WeakPolarHBondContact OE1-CB 3.4Å; E34-S243 PolarHBondContact OE1-N 3.17Å; E34-S243 PolarHBondContact OE1-OG 2.93Å; E34-S243 PolarHBondContact OE2-OG 2.59Å; S243-T245 PolarHBondContact O-N 3.04Å; S243-M246 WeakPolarHBondContact O-CA 3.44Å; S243-M246 WeakPolarHBondContact O-CB 3.36Å; S243-M246 PolarHBondContact O-N 3.29Å; S243-A247 PolarHBondContact O-N 3.1Å | ||
| 244 | S | 93.9 | Very high | 97.4 | Very high | 103 Ų | 103 | 42.8 Ų | 42.8 | 72% | 0.72 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -22.1 | -176.4 | 59.5 | 0 | 0 | 0 | 0 | 114 | Y242 M246 | Y242-S244 PolarHBondContact O-N 3.48Å; S244-M246 VanDerWaalsContact C-N 3.33Å |
| 245 | T | 94.5 | Very high | 97.4 | Very high | 109 Ų | 109 | 40.9 Ų | 40.9 | 67% | 0.669 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -13.7 | 173.7 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | M205 S243 | M205-T245 WeakPolarHBondContact CG-O 3.17Å; S243-T245 PolarHBondContact O-N 3.04Å |
| 246 | M | 96 | Very high | 97.4 | Very high | 16 Ų | 16 | 39.9 Ų | 39.9 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -49.2 | -172.6 | -68 | -59.2 | -64.2 | 0 | 0 | 112 | K23 Y24 E34 Y204 M205 S243 S244 | K23-M246 HydrophobicContact CB-CE 3.59Å; K23-M246 HydrophobicContact CD-CE 3.85Å; K23-M246 HydrophobicContact CD-SD 4.07Å; K23-M246 HydrophobicContact CG-CE 4.25Å; Y24-M246 HydrophobicContact CD1-CE 4.25Å; Y24-M246 HydrophobicContact CD2-CE 3.94Å; Y24-M246 HydrophobicContact CE1-CE 3.73Å; Y24-M246 HydrophobicContact CE2-CE 3.37Å; Y24-M246 HydrophobicContact CG-CE 4.35Å; Y24-M246 WeakPolarHBondContact OH-CE 3.1Å; E34-M246 WeakPolarHBondContact OE1-CG 3.18Å; Y204-M246 CarbonylContact C-O 3.46Å; Y204-M246 VanDerWaalsContact CA-O 3.25Å; Y204-M246 WeakPolarHBondContact CA-O 3.32Å; M205-M246 WeakPolarHBondContact CG-O 3.49Å; M205-M246 PolarHBondContact N-O 2.68Å; S243-M246 WeakPolarHBondContact O-CA 3.44Å; S243-M246 WeakPolarHBondContact O-CB 3.36Å; S243-M246 PolarHBondContact O-N 3.29Å; S244-M246 VanDerWaalsContact C-N 3.33Å |
| 247 | A | 97.5 | Very high | 97.4 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -155.1 | 170.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y203 Y242 S243 | Y203-A247 WeakPolarHBondContact O-CB 3.49Å; Y242-A247 HydrophobicContact CD2-CB 4.08Å; Y242-A247 HydrophobicContact CG-CB 4.43Å; S243-A247 PolarHBondContact O-N 3.1Å |
| 248 | N | 98 | Very high | 97.4 | Very high | 64 Ų | 64 | 38.6 Ų | 38.6 | 34% | 0.342 | 22% | 0.221 | S | C | . | . | trans | -115.2 | 30.8 | 176.3 | 74.5 | -36.6 | 0 | 0 | 0 | 113.2 | S202 Y203 | S202-N248 PolarHBondContact N-OD1 3.49Å; S202-N248 VanDerWaalsContact OG-CG 3.3Å; S202-N248 PolarHBondContact OG-ND2 3.05Å; S202-N248 PolarHBondContact OG-OD1 3.34Å; Y203-N248 HydrophobicContact CD1-CB 4.38Å; Y203-N248 WeakPolarHBondContact CD1-OD1 3.22Å; Y203-N248 HydrophobicContact CE1-CB 3.7Å; Y203-N248 PolarHBondContact N-OD1 2.86Å | ||
| 249 | N | 98.6 | Very high | 97.5 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.027 | 23% | 0.23 | C | C | . | . | trans | -68 | 147.2 | 179.9 | 74.3 | -62.2 | 0 | 0 | 0 | 112 | A198 L199 Q240 S241 Y242 G251 | A198-N249 HydrophobicContact CB-CB 3.99Å; L199-N249 CarbonylContact O-C 3.47Å; L199-N249 WeakPolarHBondContact O-CA 3.27Å; Q240-N249 PolarHBondContact O-ND2 3.36Å; S241-N249 WeakPolarHBondContact CB-O 3.47Å; S241-N249 PolarHBondContact OG-O 3.49Å; Y242-N249 VanDerWaalsContact CD2-OD1 3.28Å; Y242-N249 WeakPolarHBondContact CD2-OD1 3.34Å; Y242-N249 PolarHBondContact N-OD1 3.19Å; N249-G251 PolarHBondContact ND2-O 3.2Å | ||
| 250 | E | 98.3 | Very high | 97.4 | Very high | 119 Ų | 119 | 40 Ų | 40 | 56% | 0.556 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -108.1 | 74 | 169.2 | -68.6 | 178.6 | -149.9 | 0 | 0 | 108.5 | L199 K200 | L199-E250 WeakPolarHBondContact CB-O 3.46Å; L199-E250 PolarHBondContact O-N 3.1Å; K200-E250 HydrophobicContact CB-CB 4.3Å; K200-E250 HydrophobicContact CD-CB 4.16Å; K200-E250 HydrophobicContact CD-CG 4.41Å; K200-E250 WeakPolarHBondContact CD-OE2 3.38Å; K200-E250 IonicContact NZ-OE2 3.23Å; K200-E250 PolarHBondContact NZ-OE2 2.86Å |
| 251 | G | 98.3 | Very high | 96.9 | Very high | 3 Ų | 3 | 41 Ų | 41 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | trans | 87.1 | -177.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | L199 I238 Q240 N249 | L199-G251 PolarHBondContact N-O 2.95Å; I238-G251 CarbonylContact O-C 3.5Å; I238-G251 WeakPolarHBondContact O-CA 3.42Å; Q240-G251 VanDerWaalsContact O-CA 3.26Å; Q240-G251 WeakPolarHBondContact O-CA 3.44Å; N249-G251 PolarHBondContact ND2-O 3.2Å | ||
| 252 | L | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 171.7 | 172.4 | -58.7 | 89.7 | 0 | 0 | 0 | 108.6 | I37 L41 L164 D197 L199 V237 I238 Q240 Y242 | I37-L252 HydrophobicContact CD1-CD1 3.88Å; I37-L252 HydrophobicContact CG1-CD1 3.93Å; I37-L252 HydrophobicContact CG2-CD1 3.86Å; I37-L252 HydrophobicContact CG2-CD2 3.85Å; L41-L252 HydrophobicContact CD2-CD2 4.42Å; L164-L252 HydrophobicContact CD2-CD2 3.92Å; D197-L252 CarbonylContact O-C 3.5Å; D197-L252 VanDerWaalsContact O-CA 3.31Å; D197-L252 WeakPolarHBondContact O-CA 3.46Å; D197-L252 WeakPolarHBondContact O-CB 3.48Å; L199-L252 WeakPolarHBondContact CD1-O 3.39Å; V237-L252 CarbonylContact C-O 3.57Å; V237-L252 WeakPolarHBondContact CA-O 3.3Å; I238-L252 HydrophobicContact CB-CB 4.17Å; I238-L252 HydrophobicContact CD1-CB 4.34Å; I238-L252 HydrophobicContact CG2-CD1 4.44Å; I238-L252 PolarHBondContact N-O 2.84Å; I238-L252 PolarHBondContact O-N 2.88Å; Q240-L252 VanDerWaalsContact O-CD1 3.27Å; Q240-L252 WeakPolarHBondContact O-CD1 3.32Å; Y242-L252 HydrophobicContact CE2-CD2 4.15Å |
| 253 | F | 98.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 161 | 168.7 | 71.3 | -88.2 | 0 | 0 | 0 | 112.4 | I195 M196 D197 L199 V221 F235 E236 L255 | I195-F253 HydrophobicContact CB-CE2 4.09Å; I195-F253 HydrophobicContact CG2-CE2 3.88Å; I195-F253 HydrophobicContact CG2-CZ 3.94Å; M196-F253 WeakPolarHBondContact CA-O 3.43Å; M196-F253 WeakPolarHBondContact CB-O 3.39Å; D197-F253 HydrophobicContact CB-CD1 4.35Å; D197-F253 HydrophobicContact CB-CE1 3.45Å; D197-F253 VanDerWaalsContact CB-CE1 3.45Å; D197-F253 HydrophobicContact CB-CZ 3.6Å; D197-F253 PolarHBondContact N-O 3.18Å; D197-F253 VanDerWaalsContact O-CD1 3.3Å; D197-F253 WeakPolarHBondContact O-CD1 3.45Å; D197-F253 PolarHBondContact O-N 2.76Å; L199-F253 HydrophobicContact CD1-CB 4.4Å; L199-F253 HydrophobicContact CD2-CB 4.4Å; L199-F253 HydrophobicContact CD2-CD1 3.65Å; L199-F253 HydrophobicContact CD2-CE1 4.41Å; L199-F253 HydrophobicContact CD2-CG 4.42Å; L199-F253 HydrophobicContact CG-CB 4.39Å; L199-F253 HydrophobicContact CG-CD1 4.04Å; V221-F253 HydrophobicContact CB-CZ 4.5Å; V221-F253 HydrophobicContact CG1-CD2 4.28Å; V221-F253 HydrophobicContact CG1-CE1 4.1Å; V221-F253 HydrophobicContact CG1-CE2 3.72Å; V221-F253 HydrophobicContact CG1-CZ 3.62Å; V221-F253 HydrophobicContact CG2-CD1 4.4Å; V221-F253 HydrophobicContact CG2-CE1 3.81Å; V221-F253 HydrophobicContact CG2-CZ 4.09Å; F235-F253 HydrophobicContact CE1-CB 3.68Å; F235-F253 HydrophobicContact CE1-CG 4.48Å; F235-F253 HydrophobicContact CE2-CB 4.41Å; F235-F253 HydrophobicContact CE2-CD2 4.09Å; F235-F253 HydrophobicContact CE2-CG 4.39Å; F235-F253 HydrophobicContact CZ-CB 3.52Å; F235-F253 AromaticContact CZ-CD2 3.98Å; F235-F253 HydrophobicContact CZ-CD2 3.98Å; F235-F253 AromaticContact CZ-CG 3.83Å; F235-F253 HydrophobicContact CZ-CG 3.83Å; E236-F253 CarbonylContact O-C 3.53Å; E236-F253 VanDerWaalsContact O-CA 3.24Å; E236-F253 WeakPolarHBondContact O-CA 3.45Å; F253-L255 HydrophobicContact CD2-CB 3.97Å; F253-L255 HydrophobicContact CE2-CB 4.06Å; F253-L255 HydrophobicContact CE2-CD2 4.32Å |
| 254 | S | 98.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 134.5 | 165.8 | -58.9 | 0 | 0 | 0 | 0 | 108.4 | N44 I195 W234 F235 E236 | N44-S254 WeakPolarHBondContact ND2-CB 3.45Å; N44-S254 PolarHBondContact ND2-OG 3.16Å; I195-S254 CarbonylContact O-C 3.54Å; I195-S254 WeakPolarHBondContact O-CA 3.32Å; W234-S254 VanDerWaalsContact CH2-CB 3.46Å; W234-S254 VanDerWaalsContact CZ3-CB 3.41Å; W234-S254 WeakPolarHBondContact CZ3-O 3.48Å; F235-S254 CarbonylContact C-O 3.59Å; F235-S254 WeakPolarHBondContact CA-O 3.29Å; E236-S254 PolarHBondContact N-O 2.96Å; E236-S254 PolarHBondContact O-N 3.42Å |
| 255 | L | 98.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 138.3 | -169.3 | 150.9 | 75.1 | 0 | 0 | 0 | 109.5 | V194 I195 V225 I232 W234 F235 F253 | V194-L255 VanDerWaalsContact CA-O 3.3Å; V194-L255 WeakPolarHBondContact CA-O 3.23Å; I195-L255 HydrophobicContact CB-CD2 3.98Å; I195-L255 HydrophobicContact CD1-CD2 3.85Å; I195-L255 HydrophobicContact CG1-CD2 3.97Å; I195-L255 PolarHBondContact N-O 2.78Å; I195-L255 PolarHBondContact O-N 3.34Å; V225-L255 HydrophobicContact CB-CD2 4.41Å; V225-L255 HydrophobicContact CG1-CD1 4.31Å; V225-L255 HydrophobicContact CG1-CD2 4.17Å; V225-L255 HydrophobicContact CG2-CD2 3.56Å; I232-L255 HydrophobicContact CB-CD1 4.34Å; I232-L255 HydrophobicContact CD1-CD1 4.18Å; I232-L255 HydrophobicContact CG1-CD1 3.93Å; I232-L255 HydrophobicContact CG2-CD1 3.77Å; W234-L255 WeakPolarHBondContact O-CA 3.36Å; F235-L255 HydrophobicContact CD2-CB 4.22Å; F235-L255 HydrophobicContact CD2-CD1 4.26Å; F235-L255 HydrophobicContact CE2-CB 4.49Å; F253-L255 HydrophobicContact CD2-CB 3.97Å; F253-L255 HydrophobicContact CE2-CB 4.06Å; F253-L255 HydrophobicContact CE2-CD2 4.32Å |
| 256 | V | 98.9 | Very high | 90 | Very high | 6 Ų | 6 | 59.5 Ų | 59.5 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 117.4 | 162.6 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | I48 V54 F192 L193 V194 E233 W234 | I48-V256 HydrophobicContact CB-CG2 4.44Å; I48-V256 HydrophobicContact CD1-CG2 4.06Å; I48-V256 HydrophobicContact CG1-CG2 3.82Å; I48-V256 HydrophobicContact CG2-CG2 3.8Å; V54-V256 HydrophobicContact CG2-CG1 4.01Å; F192-V256 HydrophobicContact CD1-CG1 4.02Å; L193-V256 WeakPolarHBondContact O-CA 3.34Å; V194-V256 HydrophobicContact CG2-CG2 4.33Å; E233-V256 PolarHBondContact N-O 3.2Å; W234-V256 HydrophobicContact CB-CB 4.32Å; W234-V256 HydrophobicContact CE3-CG2 3.87Å; W234-V256 HydrophobicContact CZ3-CG2 4.47Å; W234-V256 PolarHBondContact N-O 3.31Å; W234-V256 PolarHBondContact O-N 3.2Å |
| 257 | G | 98.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 136.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F192 L193 T231 | F192-G257 CarbonylContact C-O 3.57Å; F192-G257 WeakPolarHBondContact CA-O 3.32Å; L193-G257 PolarHBondContact N-O 3.32Å; L193-G257 PolarHBondContact O-N 2.99Å; T231-G257 CarbonylContact O-C 3.5Å; T231-G257 WeakPolarHBondContact O-CA 3.49Å |
| 258 | R | 98.4 | Very high | 89.2 | Confident | 90 Ų | 90 | 65.3 Ų | 65.3 | 34% | 0.34 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.2 | 172.9 | -172.7 | 79.3 | 170.1 | 179 | 4.2 | 109.5 | G190 F192 Y230 T231 E233 L260 | G190-R258 WeakPolarHBondContact O-CD 3.49Å; G190-R258 PolarHBondContact O-NE 3.45Å; G190-R258 PolarHBondContact O-NH1 3.01Å; G190-R258 PolarHBondContact O-NH2 3.26Å; G190-R258 VanDerWaalsContact O-NH2 3.08Å; F192-R258 VanDerWaalsContact CE1-NH1 3.27Å; Y230-R258 CarbonylContact C-O 3.51Å; Y230-R258 VanDerWaalsContact CA-O 3.29Å; Y230-R258 WeakPolarHBondContact CA-O 3.35Å; T231-R258 PolarHBondContact N-O 3.39Å; T231-R258 PolarHBondContact O-N 3.32Å; E233-R258 HydrophobicContact CG-CB 3.98Å; E233-R258 WeakPolarHBondContact OE1-CB 3.39Å; E233-R258 WeakPolarHBondContact OE1-CG 3.47Å; R258-L260 PolarHBondContact O-N 3.03Å |
| 259 | K | 98.3 | Very high | 88.6 | Confident | 48 Ų | 48 | 65.4 Ų | 65.4 | 21% | 0.209 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 125.8 | 178 | -176.4 | 169.8 | 169.8 | -171.3 | 0 | 110 | G184 L187 G190 G191 Y230 S261 | G184-K259 PolarHBondContact O-NZ 3.15Å; L187-K259 HydrophobicContact CB-CD 4.11Å; L187-K259 HydrophobicContact CD2-CB 3.82Å; L187-K259 HydrophobicContact CD2-CD 4.01Å; L187-K259 HydrophobicContact CG-CD 4.17Å; L187-K259 PolarHBondContact O-NZ 3.17Å; G190-K259 VanDerWaalsContact CA-O 3.23Å; G190-K259 WeakPolarHBondContact CA-O 3.43Å; G190-K259 PolarHBondContact N-O 3.46Å; G191-K259 PolarHBondContact O-N 2.9Å; Y230-K259 HydrophobicContact CD1-CB 3.96Å; Y230-K259 HydrophobicContact CE1-CB 3.74Å; Y230-K259 HydrophobicContact CE1-CG 4.23Å; K259-S261 PolarHBondContact O-N 3.01Å |
| 260 | L | 94.8 | Very high | 87.9 | Confident | 96 Ų | 96 | 69.4 Ų | 69.4 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -63 | 128.1 | 177.1 | -67 | 172.1 | 0 | 0 | 0 | 110 | G229 T231 R258 R262 | G229-L260 WeakPolarHBondContact O-CB 3.44Å; G229-L260 WeakPolarHBondContact O-CG 3.49Å; G229-L260 PolarHBondContact O-N 3.46Å; T231-L260 VanDerWaalsContact OG1-CD2 3.31Å; T231-L260 WeakPolarHBondContact OG1-CD2 3.22Å; R258-L260 PolarHBondContact O-N 3.03Å; L260-R262 PolarHBondContact O-N 3.07Å |
| 261 | S | 85.2 | Confident | 87.2 | Confident | 78 Ų | 78 | 65.9 Ų | 65.9 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -66 | 124.5 | 161.6 | -60.8 | 0 | 0 | 0 | 0 | 107 | K259 S263 | K259-S261 PolarHBondContact O-N 3.01Å; S261-S263 PolarHBondContact O-N 2.84Å; S261-S263 VanDerWaalsContact O-N 3.11Å |
| 262 | R | 70.7 | Confident | 86.4 | Confident | 239 Ų | 239 | 70.7 Ų | 70.7 | 90% | 0.902 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 123.7 | 168.5 | -74 | -174.4 | 177.6 | -177.9 | -0.5 | 106.5 | L260 L264 | L260-R262 PolarHBondContact O-N 3.07Å; R262-L264 PolarHBondContact O-N 3.43Å; R262-L264 VanDerWaalsContact O-N 3.14Å |
| 263 | S | 45.3 | Very low | 85.3 | Confident | 118 Ų | 118 | 76.6 Ų | 76.6 | 83% | 0.825 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 120.2 | 160.5 | 26.6 | 0 | 0 | 0 | 0 | 106.4 | S261 | S261-S263 PolarHBondContact O-N 2.84Å; S261-S263 VanDerWaalsContact O-N 3.11Å |
| 264 | L | 37.8 | Very low | 84.1 | Confident | 244 Ų | 244 | 83.5 Ų | 83.5 | 100% | 1.277 | 42% | 0.422 | S | S | * | . | trans | -58.6 | 0 | 164.9 | -76.3 | 165.2 | 0 | 0 | 0 | 109.7 | R262 | R262-L264 PolarHBondContact O-N 3.43Å; R262-L264 VanDerWaalsContact O-N 3.14Å |
Retrieved 264 of 264 residues in 86.5 ms
(Link to these results)