| 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 | 28.8 | Very low | 42 | Very low | 235 Ų | 235 | 157.9 Ų | 157.9 | 100% | 1.158 | 78% | 0.782 | S | S | * | * | 0 | 109.6 | 0 | -63 | -175.7 | -157.9 | 0 | 0 | 105.6 | N3 | M1-N3 PolarHBondContact O-N 3.09Š| |||
| 2 | E | 29.4 | Very low | 46.3 | Very low | 199 Ų | 199 | 145.4 Ų | 145.4 | 93% | 0.93 | 72% | 0.721 | S | S | * | * | trans | -65.5 | 101.2 | -177 | -71.8 | 171.1 | 150 | 0 | 0 | 109 | G4 | E2-G4 PolarHBondContact O-N 3.35Š| ||
| 3 | N | 30.6 | Very low | 50.1 | Low | 149 Ų | 149 | 134.2 Ų | 134.2 | 80% | 0.797 | 67% | 0.666 | S | S | * | * | trans | -71.5 | 112.6 | 161.2 | -78.7 | -15.1 | 0 | 0 | 0 | 106.2 | M1 E5 | M1-N3 PolarHBondContact O-N 3.09Å; N3-E5 VanDerWaalsContact C-N 3.32Å; N3-E5 PolarHBondContact O-N 3.35Å | ||
| 4 | G | 27.4 | Very low | 53.5 | Low | 76 Ų | 76 | 124.6 Ų | 124.6 | 78% | 0.784 | 62% | 0.618 | S | S | * | * | trans | -58.4 | 97.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | E2 E6 | E2-G4 PolarHBondContact O-N 3.35Å; G4-E6 PolarHBondContact O-N 3.29Å | ||
| 5 | E | 27.7 | Very low | 56.5 | Low | 185 Ų | 185 | 116.3 Ų | 116.3 | 86% | 0.864 | 58% | 0.577 | S | S | * | * | trans | -65.2 | 91.7 | 161.1 | -74.1 | -177 | 165.3 | 0 | 0 | 106.5 | N3 K7 | N3-E5 VanDerWaalsContact C-N 3.32Å; N3-E5 PolarHBondContact O-N 3.35Å; E5-K7 PolarHBondContact O-N 3.03Å | ||
| 6 | E | 29.5 | Very low | 59.1 | Low | 175 Ų | 175 | 109.1 Ų | 109.1 | 82% | 0.818 | 54% | 0.541 | S | S | * | . | trans | -48.1 | 108.5 | 156.3 | -165.4 | 174.9 | -155 | 0 | 0 | 105.5 | G4 V8 | G4-E6 PolarHBondContact O-N 3.29Å; E6-V8 PolarHBondContact O-N 2.9Å | ||
| 7 | K | 32.9 | Very low | 61.4 | Low | 203 Ų | 203 | 102.6 Ų | 102.6 | 88% | 0.883 | 51% | 0.509 | S | S | * | . | trans | -55.1 | 95 | 177.8 | -94.1 | -177.5 | 174.2 | 178.5 | 0 | 107 | E5 R9 | E5-K7 PolarHBondContact O-N 3.03Å; K7-R9 VanDerWaalsContact C-N 3.32Å; K7-R9 PolarHBondContact O-N 3.23Å | ||
| 8 | V | 43.7 | Very low | 63.3 | Low | 129 Ų | 129 | 97.3 Ų | 97.3 | 78% | 0.782 | 48% | 0.484 | S | S | * | . | trans | -61.7 | 103.5 | 174.8 | 179.5 | 0 | 0 | 0 | 0 | 104.8 | E6 E10 | E6-V8 PolarHBondContact O-N 2.9Å; V8-E10 PolarHBondContact O-N 3.33Å | ||
| 9 | R | 55.6 | Low | 64.8 | Low | 138 Ų | 138 | 94 Ų | 94 | 52% | 0.521 | 48% | 0.477 | S | S | . | . | trans | -55.4 | 124.1 | -177 | -169.4 | 167.9 | 168.7 | -141.1 | -21.9 | 108.2 | K7 R11 L147 | K7-R9 VanDerWaalsContact C-N 3.32Å; K7-R9 PolarHBondContact O-N 3.23Å; R9-R11 PolarHBondContact O-N 2.89Å; R9-L147 VanDerWaalsContact CZ-CG 3.45Å; R9-L147 PolarHBondContact NH1-O 2.92Å; R9-L147 VanDerWaalsContact NH2-C 3.33Å; R9-L147 PolarHBondContact NH2-O 3.43Å | ||
| 10 | E | 70.1 | Confident | 66.1 | Low | 143 Ų | 143 | 91.1 Ų | 91.1 | 67% | 0.668 | 47% | 0.471 | S | S | * | . | trans | -51.7 | 113.7 | 178.3 | -85.1 | -176.6 | 158.5 | 0 | 0 | 109.2 | V8 R42 | V8-E10 PolarHBondContact O-N 3.33Å; E10-R42 WeakPolarHBondContact OE2-CD 3.39Å | ||
| 11 | R | 86.1 | Confident | 67.4 | Low | 105 Ų | 105 | 89.5 Ų | 89.5 | 40% | 0.396 | 46% | 0.463 | S | S | . | . | trans | -87.3 | 133.2 | 176.9 | -68.4 | -174.7 | 175.4 | -177.2 | -3 | 108.6 | R9 Y41 R42 | R9-R11 PolarHBondContact O-N 2.89Å; R11-Y41 HydrophobicContact CB-CD1 3.71Å; R11-Y41 HydrophobicContact CB-CE1 3.46Å; R11-Y41 VanDerWaalsContact CB-CE1 3.46Å; R11-Y41 HydrophobicContact CG-CE1 4.46Å; R11-Y41 WeakPolarHBondContact O-CA 3.5Å; R11-Y41 VanDerWaalsContact O-CD1 3.32Å; R11-Y41 WeakPolarHBondContact O-CD1 3.4Å; R11-R42 PolarHBondContact O-N 3.5Å | ||
| 12 | S | 93.7 | Very high | 70.6 | Confident | 8 Ų | 8 | 78.3 Ų | 78.3 | 6% | 0.056 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 136.1 | 173.1 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | R42 G104 T106 | S12-R42 CarbonylContact C-O 3.43Å; S12-R42 VanDerWaalsContact CA-O 3.26Å; S12-R42 WeakPolarHBondContact CA-O 3.39Å; S12-G104 WeakPolarHBondContact CB-O 3.46Å; S12-T106 PolarHBondContact O-N 3.39Å |
| 13 | M | 95.6 | Very high | 73.8 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.1 | 176.5 | 177.9 | -176.3 | -59.6 | 0 | 0 | 109.9 | V32 Y41 R42 V43 F44 D107 V109 V316 L319 | M13-V32 HydrophobicContact SD-CG1 3.8Å; M13-Y41 HydrophobicContact CB-CD1 3.68Å; M13-Y41 HydrophobicContact CB-CE1 4.2Å; M13-Y41 HydrophobicContact CB-CG 4.3Å; M13-Y41 HydrophobicContact CE-CD1 3.95Å; M13-Y41 HydrophobicContact CE-CD2 4.11Å; M13-Y41 HydrophobicContact CE-CE1 3.89Å; M13-Y41 HydrophobicContact CE-CE2 4.06Å; M13-Y41 HydrophobicContact CE-CG 4.05Å; M13-R42 PolarHBondContact N-O 3.05Å; M13-V43 CarbonylContact O-C 3.55Å; M13-V43 WeakPolarHBondContact O-CA 3.28Å; M13-F44 PolarHBondContact O-N 3.33Å; M13-D107 CarbonylContact C-O 3.56Å; M13-D107 VanDerWaalsContact CA-O 3.22Å; M13-D107 WeakPolarHBondContact CA-O 3.46Å; M13-D107 HydrophobicContact CB-CB 4.11Å; M13-D107 HydrophobicContact CE-CB 4.42Å; M13-D107 HydrophobicContact CG-CB 4.15Å; M13-V109 HydrophobicContact SD-CG2 3.97Å; M13-V316 HydrophobicContact CE-CB 4.47Å; M13-V316 HydrophobicContact CE-CG1 4.11Å; M13-V316 HydrophobicContact CE-CG2 4.18Å; M13-V316 HydrophobicContact SD-CG2 4.19Å; M13-L319 HydrophobicContact CE-CB 4.42Å; M13-L319 HydrophobicContact CE-CD1 3.6Å; M13-L319 HydrophobicContact SD-CD1 4.12Å |
| 14 | G | 97.7 | Very high | 76.9 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 142.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F44 D107 L108 V109 | G14-F44 CarbonylContact C-O 3.58Å; G14-F44 WeakPolarHBondContact CA-O 3.31Å; G14-D107 PolarHBondContact N-O 2.94Å; G14-L108 WeakPolarHBondContact O-CA 3.37Å; G14-V109 PolarHBondContact O-N 3.47Å |
| 15 | V | 98.4 | Very high | 80.3 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135.8 | 168.3 | 59.9 | 0 | 0 | 0 | 0 | 109.9 | L29 V32 V43 F44 L45 I46 V109 I111 | V15-L29 HydrophobicContact CB-CD1 4.21Å; V15-L29 HydrophobicContact CG1-CD1 3.54Å; V15-L29 HydrophobicContact CG2-CD1 3.6Å; V15-V32 HydrophobicContact CB-CG1 3.94Å; V15-V32 HydrophobicContact CG1-CG1 4.41Å; V15-V32 HydrophobicContact CG2-CB 4.27Å; V15-V32 HydrophobicContact CG2-CG1 3.95Å; V15-V43 HydrophobicContact CG1-CG1 4.08Å; V15-F44 PolarHBondContact N-O 2.91Å; V15-L45 HydrophobicContact CG1-CD2 3.68Å; V15-I46 PolarHBondContact O-N 3.41Å; V15-V109 WeakPolarHBondContact CA-O 3.33Å; V15-V109 HydrophobicContact CB-CB 4.37Å; V15-V109 HydrophobicContact CG2-CB 4.16Å; V15-V109 HydrophobicContact CG2-CG1 4.36Å; V15-I111 HydrophobicContact CG2-CD1 3.95Å; V15-I111 HydrophobicContact CG2-CG1 4.49Å |
| 16 | F | 98.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 150.6 | -177.5 | 75.6 | -79.2 | 0 | 0 | 0 | 111.9 | I46 Y50 M53 L108 V109 C110 I111 L120 | F16-I46 HydrophobicContact CB-CB 3.8Å; F16-I46 HydrophobicContact CB-CD1 4.41Å; F16-I46 HydrophobicContact CB-CG1 4.45Å; F16-Y50 HydrophobicContact CE2-CD1 4.05Å; F16-Y50 HydrophobicContact CE2-CD2 4.32Å; F16-Y50 AromaticContact CE2-CE1 3.67Å; F16-Y50 HydrophobicContact CE2-CE1 3.67Å; F16-Y50 AromaticContact CE2-CE2 3.96Å; F16-Y50 HydrophobicContact CE2-CE2 3.96Å; F16-Y50 HydrophobicContact CE2-CG 4.35Å; F16-Y50 AromaticContact CE2-CZ 3.62Å; F16-Y50 HydrophobicContact CZ-CD1 4.39Å; F16-Y50 AromaticContact CZ-CE1 3.65Å; F16-Y50 HydrophobicContact CZ-CE1 3.65Å; F16-Y50 HydrophobicContact CZ-CE2 4.44Å; F16-Y50 AromaticContact CZ-CZ 3.67Å; F16-M53 HydrophobicContact CD1-CE 3.77Å; F16-M53 HydrophobicContact CD2-CE 4.22Å; F16-M53 HydrophobicContact CE1-CE 3.7Å; F16-M53 HydrophobicContact CE2-CE 4.13Å; F16-M53 HydrophobicContact CG-CE 4.04Å; F16-M53 HydrophobicContact CZ-CE 3.87Å; F16-L108 HydrophobicContact CD1-CD1 3.91Å; F16-L108 HydrophobicContact CD1-CD2 4.49Å; F16-L108 HydrophobicContact CD1-CG 4.15Å; F16-L108 HydrophobicContact CE1-CD1 4.03Å; F16-L108 HydrophobicContact CE1-CD2 3.8Å; F16-L108 HydrophobicContact CE1-CG 3.78Å; F16-V109 WeakPolarHBondContact CD1-O 3.49Å; F16-V109 PolarHBondContact N-O 2.88Å; F16-V109 VanDerWaalsContact N-O 3.12Å; F16-C110 HydrophobicContact CD1-CB 4.42Å; F16-C110 HydrophobicContact CE1-CB 3.6Å; F16-C110 HydrophobicContact CE2-CB 4.37Å; F16-C110 HydrophobicContact CZ-CB 3.58Å; F16-C110 WeakPolarHBondContact CZ-SG 3.34Å; F16-I111 PolarHBondContact O-N 3.41Å; F16-L120 HydrophobicContact CE1-CD1 4.08Å; F16-L120 HydrophobicContact CZ-CD1 4.07Å |
| 17 | T | 97.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.5 | 171.7 | 43.8 | 0 | 0 | 0 | 0 | 110.4 | M25 G49 T77 I79 G80 I111 | T17-M25 HydrophobicContact CG2-CB 4.16Å; T17-M25 HydrophobicContact CG2-CG 4.46Å; T17-M25 HydrophobicContact CG2-SD 4.11Å; T17-G49 WeakPolarHBondContact O-CA 3.44Å; T17-T77 WeakPolarHBondContact CG2-OG1 3.38Å; T17-T77 WeakPolarHBondContact OG1-CB 3.38Å; T17-T77 WeakPolarHBondContact OG1-CG2 3.41Å; T17-T77 PolarHBondContact OG1-OG1 2.85Å; T17-I79 HydrophobicContact CG2-CD1 4.35Å; T17-I79 HydrophobicContact CG2-CG1 4.46Å; T17-I79 VanDerWaalsContact OG1-CG1 3.27Å; T17-I79 WeakPolarHBondContact OG1-CG1 3.41Å; T17-G80 PolarHBondContact OG1-O 2.99Å; T17-I111 CarbonylContact C-O 3.47Å; T17-I111 VanDerWaalsContact CA-O 3.24Å; T17-I111 WeakPolarHBondContact CA-O 3.36Å; T17-I111 HydrophobicContact CG2-CB 3.88Å; T17-I111 HydrophobicContact CG2-CD1 4.34Å; T17-I111 HydrophobicContact CG2-CG2 4.19Å |
| 18 | S | 95.7 | Very high | 89.9 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 149.5 | -178 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | Y50 S81 I111 G112 S116 | S18-Y50 WeakPolarHBondContact OG-CD2 3.36Å; S18-Y50 WeakPolarHBondContact OG-CE2 3.43Å; S18-S81 VanDerWaalsContact C-OG 3.28Å; S18-S81 VanDerWaalsContact CA-OG 3.29Å; S18-S81 WeakPolarHBondContact CA-OG 3.3Å; S18-I111 PolarHBondContact N-O 3.46Å; S18-G112 WeakPolarHBondContact O-CA 3.26Å; S18-S116 VanDerWaalsContact CB-OG 3.23Å; S18-S116 WeakPolarHBondContact CB-OG 3.47Å; S18-S116 PolarHBondContact O-OG 3Å; S18-S116 PolarHBondContact OG-OG 3.46Å |
| 19 | G | 92.2 | Very high | 92.5 | Very high | 34 Ų | 34 | 25.4 Ų | 25.4 | 35% | 0.351 | 13% | 0.131 | S | C | . | . | S | Bend | trans | 89.6 | -159.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S81 S116 | G19-S81 PolarHBondContact N-OG 2.63Å; G19-S81 PolarHBondContact O-OG 2.88Å; G19-S116 PolarHBondContact N-OG 3.24Å |
| 20 | G | 91.6 | Very high | 94.5 | Very high | 36 Ų | 36 | 19.2 Ų | 19.2 | 37% | 0.371 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -69.3 | 135.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | M25 | G20-M25 WeakPolarHBondContact O-CE 3.3Š|
| 21 | D | 93.7 | Very high | 95.8 | Very high | 57 Ų | 57 | 12.4 Ų | 12.4 | 31% | 0.305 | 8% | 0.076 | S | C | . | . | trans | -67 | 154.5 | 179 | 70.5 | -51.8 | 0 | 0 | 0 | 111.7 | M25 G76 R296 | D21-M25 HydrophobicContact CB-SD 4.45Å; D21-G76 WeakPolarHBondContact OD2-CA 3.41Å; D21-R296 PolarHBondContact O-NH1 3.15Å | ||
| 22 | A | 95.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | trans | -144.6 | 139.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110 | G24 M25 I160 I171 | A22-G24 PolarHBondContact O-N 3.38Å; A22-M25 HydrophobicContact CB-CE 4.06Å; A22-M25 HydrophobicContact CB-CG 4.42Å; A22-M25 VanDerWaalsContact O-CG 3.31Å; A22-M25 WeakPolarHBondContact O-CG 3.5Å; A22-M25 PolarHBondContact O-N 3.5Å; A22-I160 HydrophobicContact CB-CG2 4.18Å; A22-I171 WeakPolarHBondContact CB-O 3.37Å | ||
| 23 | A | 96.2 | Very high | 96.6 | Very high | 3 Ų | 3 | 7 Ų | 7 | 3% | 0.025 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 125.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S75 G172 S175 P300 | A23-S75 WeakPolarHBondContact CA-OG 3.21Å; A23-S75 WeakPolarHBondContact CB-OG 3.31Å; A23-G172 WeakPolarHBondContact O-CA 3.49Å; A23-G172 PolarHBondContact O-N 2.79Å; A23-S175 VanDerWaalsContact CB-CB 3.45Å; A23-P300 HydrophobicContact CB-CB 4.04Å; A23-P300 HydrophobicContact CB-CG 4.03Å |
| 24 | G | 96.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 7.9 Ų | 7.9 | 1% | 0.01 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 107.4 | -12.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A22 N26 A27 A28 A308 | A22-G24 PolarHBondContact O-N 3.38Å; G24-N26 VanDerWaalsContact C-N 3.27Å; G24-N26 PolarHBondContact O-N 2.91Å; G24-A27 WeakPolarHBondContact O-CA 3.43Å; G24-A27 WeakPolarHBondContact O-CB 3.32Å; G24-A27 PolarHBondContact O-N 3.19Å; G24-A28 PolarHBondContact O-N 3.03Å; G24-A28 VanDerWaalsContact O-N 3.12Å; G24-A308 VanDerWaalsContact O-CB 3.24Å; G24-A308 WeakPolarHBondContact O-CB 3.19Å |
| 25 | M | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -55.4 | -41.4 | 173.8 | -74.4 | -176.4 | 169.9 | 0 | 0 | 112.4 | T17 G20 D21 A22 A27 A28 L29 I111 G158 | T17-M25 HydrophobicContact CG2-CB 4.16Å; T17-M25 HydrophobicContact CG2-CG 4.46Å; T17-M25 HydrophobicContact CG2-SD 4.11Å; G20-M25 WeakPolarHBondContact O-CE 3.3Å; D21-M25 HydrophobicContact CB-SD 4.45Å; A22-M25 HydrophobicContact CB-CE 4.06Å; A22-M25 HydrophobicContact CB-CG 4.42Å; A22-M25 VanDerWaalsContact O-CG 3.31Å; A22-M25 WeakPolarHBondContact O-CG 3.5Å; A22-M25 PolarHBondContact O-N 3.5Å; M25-A27 VanDerWaalsContact C-N 3.27Å; M25-A27 PolarHBondContact O-N 3Å; M25-A28 PolarHBondContact O-N 3.37Å; M25-L29 WeakPolarHBondContact O-CB 3.4Å; M25-L29 PolarHBondContact O-N 3.26Å; M25-I111 HydrophobicContact CB-CG2 4.24Å; M25-I111 HydrophobicContact CG-CG2 3.83Å; M25-G158 WeakPolarHBondContact CE-O 3.47Å |
| 26 | N | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 7.9 Ų | 7.9 | 1% | 0.005 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -60.9 | -32.6 | 173.9 | -72.1 | -38.3 | 0 | 0 | 0 | 113.7 | G24 R30 V71 Y74 S75 G76 T77 I78 | G24-N26 VanDerWaalsContact C-N 3.27Å; G24-N26 PolarHBondContact O-N 2.91Å; N26-R30 WeakPolarHBondContact O-CB 3.39Å; N26-R30 PolarHBondContact O-N 3.33Å; N26-V71 HydrophobicContact CB-CB 4.2Å; N26-V71 HydrophobicContact CB-CG2 4.18Å; N26-V71 WeakPolarHBondContact CB-O 3.41Å; N26-Y74 PolarHBondContact ND2-O 3.49Å; N26-S75 PolarHBondContact ND2-O 2.51Å; N26-S75 VanDerWaalsContact ND2-O 3.14Å; N26-G76 PolarHBondContact ND2-O 3.01Å; N26-T77 WeakPolarHBondContact OD1-CA 3.24Å; N26-I78 WeakPolarHBondContact OD1-CG1 3.45Å; N26-I78 PolarHBondContact OD1-N 2.88Å |
| 27 | A | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -71.8 | -40 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G24 M25 A31 I72 A308 | G24-A27 WeakPolarHBondContact O-CA 3.43Å; G24-A27 WeakPolarHBondContact O-CB 3.32Å; G24-A27 PolarHBondContact O-N 3.19Å; M25-A27 VanDerWaalsContact C-N 3.27Å; M25-A27 PolarHBondContact O-N 3Å; A27-A31 WeakPolarHBondContact O-CB 3.35Å; A27-A31 PolarHBondContact O-N 3.42Å; A27-I72 HydrophobicContact CB-CD1 4.46Å; A27-I72 HydrophobicContact CB-CG1 3.82Å; A27-A308 HydrophobicContact CB-CB 3.83Å |
| 28 | A | 98 | Very high | 96 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.8 | -49.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | G24 M25 R30 A31 V32 I111 L156 I171 A308 | G24-A28 PolarHBondContact O-N 3.03Å; G24-A28 VanDerWaalsContact O-N 3.12Å; M25-A28 PolarHBondContact O-N 3.37Å; A28-R30 VanDerWaalsContact C-N 3.34Å; A28-R30 PolarHBondContact O-N 3.05Å; A28-A31 PolarHBondContact O-N 2.66Å; A28-A31 VanDerWaalsContact O-N 3.11Å; A28-V32 WeakPolarHBondContact O-CG2 3.33Å; A28-V32 PolarHBondContact O-N 3.16Å; A28-I111 HydrophobicContact CB-CD1 3.75Å; A28-I111 HydrophobicContact CB-CG1 4.33Å; A28-I111 HydrophobicContact CB-CG2 4.4Å; A28-L156 HydrophobicContact CB-CD1 4.04Å; A28-I171 HydrophobicContact CB-CD1 4.25Å; A28-A308 WeakPolarHBondContact CA-O 3.22Å; A28-A308 HydrophobicContact CB-CB 3.91Å |
| 29 | L | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -53.4 | -51.4 | 176.2 | -176.5 | 68.5 | 0 | 0 | 0 | 111.1 | V15 M25 A31 V32 T33 L45 V68 I78 I79 I111 | V15-L29 HydrophobicContact CB-CD1 4.21Å; V15-L29 HydrophobicContact CG1-CD1 3.54Å; V15-L29 HydrophobicContact CG2-CD1 3.6Å; M25-L29 WeakPolarHBondContact O-CB 3.4Å; M25-L29 PolarHBondContact O-N 3.26Å; L29-A31 VanDerWaalsContact C-N 3.3Å; L29-A31 PolarHBondContact O-N 2.66Å; L29-V32 PolarHBondContact O-N 2.97Å; L29-T33 PolarHBondContact O-N 3.13Å; L29-T33 PolarHBondContact O-OG1 3.31Å; L29-T33 VanDerWaalsContact O-OG1 3.04Å; L29-L45 HydrophobicContact CD1-CD2 4.03Å; L29-V68 HydrophobicContact CG-CG1 4.41Å; L29-I78 HydrophobicContact CD2-CD1 3.89Å; L29-I78 HydrophobicContact CD2-CG1 3.59Å; L29-I79 HydrophobicContact CD1-CD1 3.81Å; L29-I79 HydrophobicContact CD2-CD1 4.19Å; L29-I79 HydrophobicContact CD2-CG1 4.12Å; L29-I79 HydrophobicContact CD2-CG2 3.87Å; L29-I111 HydrophobicContact CB-CD1 4.18Å |
| 30 | R | 97.7 | Very high | 95.7 | Very high | 9 Ų | 9 | 16.6 Ų | 16.6 | 3% | 0.034 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.3 | -43.6 | 177.5 | 176.1 | -179.8 | 172.2 | -82.9 | 0.1 | 112.3 | N26 A28 R34 V68 V71 L756 | N26-R30 WeakPolarHBondContact O-CB 3.39Å; N26-R30 PolarHBondContact O-N 3.33Å; A28-R30 VanDerWaalsContact C-N 3.34Å; A28-R30 PolarHBondContact O-N 3.05Å; R30-R34 WeakPolarHBondContact O-CB 3.4Å; R30-R34 WeakPolarHBondContact O-CG 3.41Å; R30-R34 PolarHBondContact O-N 3.33Å; R30-V68 HydrophobicContact CB-CB 4.11Å; R30-V68 HydrophobicContact CB-CG2 4.38Å; R30-V68 HydrophobicContact CG-CB 4.22Å; R30-V68 HydrophobicContact CG-CG2 4.08Å; R30-V71 HydrophobicContact CB-CG2 3.97Å; R30-L756 PolarHBondContact NH2-O 2.84Å; R30-L756 VanDerWaalsContact NH2-O 3.15Å |
| 31 | A | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.4 | -46.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A27 A28 L29 T33 R34 V35 S309 L756 | A27-A31 WeakPolarHBondContact O-CB 3.35Å; A27-A31 PolarHBondContact O-N 3.42Å; A28-A31 PolarHBondContact O-N 2.66Å; A28-A31 VanDerWaalsContact O-N 3.11Å; L29-A31 VanDerWaalsContact C-N 3.3Å; L29-A31 PolarHBondContact O-N 2.66Å; A31-T33 VanDerWaalsContact C-N 3.33Å; A31-T33 PolarHBondContact O-N 2.98Å; A31-R34 PolarHBondContact O-N 2.95Å; A31-V35 VanDerWaalsContact O-CB 3.29Å; A31-V35 WeakPolarHBondContact O-CB 3.31Å; A31-V35 VanDerWaalsContact O-CG2 3.25Å; A31-V35 WeakPolarHBondContact O-CG2 3.36Å; A31-V35 PolarHBondContact O-N 3.12Å; A31-S309 WeakPolarHBondContact CB-O 3.43Å; A31-L756 HydrophobicContact CB-CD2 4.26Å |
| 32 | V | 98 | Very high | 96 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.7 | -48.8 | 175.9 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | M13 V15 A28 L29 G36 V109 L156 V316 | M13-V32 HydrophobicContact SD-CG1 3.8Å; V15-V32 HydrophobicContact CB-CG1 3.94Å; V15-V32 HydrophobicContact CG1-CG1 4.41Å; V15-V32 HydrophobicContact CG2-CB 4.27Å; V15-V32 HydrophobicContact CG2-CG1 3.95Å; A28-V32 WeakPolarHBondContact O-CG2 3.33Å; A28-V32 PolarHBondContact O-N 3.16Å; L29-V32 PolarHBondContact O-N 2.97Å; V32-G36 WeakPolarHBondContact O-CA 3.32Å; V32-G36 PolarHBondContact O-N 2.79Å; V32-V109 HydrophobicContact CG1-CB 4.17Å; V32-V109 HydrophobicContact CG1-CG1 4.4Å; V32-V109 HydrophobicContact CG1-CG2 3.94Å; V32-V109 HydrophobicContact CG2-CG1 3.94Å; V32-L156 HydrophobicContact CG2-CD1 4.25Å; V32-V316 HydrophobicContact CB-CG2 4.37Å; V32-V316 HydrophobicContact CG1-CG2 4.04Å; V32-V316 WeakPolarHBondContact O-CG2 3.46Å |
| 33 | T | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.7 | -50.4 | -179.9 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | L29 A31 G36 I37 V43 A63 V68 | L29-T33 PolarHBondContact O-N 3.13Å; L29-T33 PolarHBondContact O-OG1 3.31Å; L29-T33 VanDerWaalsContact O-OG1 3.04Å; A31-T33 VanDerWaalsContact C-N 3.33Å; A31-T33 PolarHBondContact O-N 2.98Å; T33-G36 PolarHBondContact O-N 3.39Å; T33-I37 HydrophobicContact CG2-CD1 3.76Å; T33-I37 WeakPolarHBondContact O-CB 3.26Å; T33-I37 VanDerWaalsContact O-CG1 3.26Å; T33-I37 WeakPolarHBondContact O-CG1 3.28Å; T33-I37 PolarHBondContact O-N 2.94Å; T33-V43 HydrophobicContact CG2-CG1 4.34Å; T33-A63 HydrophobicContact CG2-CB 3.61Å; T33-V68 HydrophobicContact CG2-CG1 4.04Å; T33-V68 HydrophobicContact CG2-CG2 3.89Å |
| 34 | R | 96 | Very high | 96.2 | Very high | 17 Ų | 17 | 17.1 Ų | 17.1 | 6% | 0.064 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.3 | -40.2 | -175.8 | -73.2 | -174.5 | 174.9 | -156.8 | -4 | 112.6 | R30 A31 S38 W65 V68 S69 L756 | R30-R34 WeakPolarHBondContact O-CB 3.4Å; R30-R34 WeakPolarHBondContact O-CG 3.41Å; R30-R34 PolarHBondContact O-N 3.33Å; A31-R34 PolarHBondContact O-N 2.95Å; R34-S38 WeakPolarHBondContact O-CB 3.43Å; R34-S38 PolarHBondContact O-N 3.25Å; R34-S38 PolarHBondContact O-OG 3.16Å; R34-W65 HydrophobicContact CB-CE3 4.27Å; R34-W65 HydrophobicContact CB-CH2 3.66Å; R34-W65 HydrophobicContact CB-CZ2 4.25Å; R34-W65 HydrophobicContact CB-CZ3 3.69Å; R34-W65 VanDerWaalsContact CD-CZ2 3.48Å; R34-W65 HydrophobicContact CG-CD2 4.09Å; R34-W65 HydrophobicContact CG-CE3 3.98Å; R34-W65 HydrophobicContact CG-CH2 3.78Å; R34-W65 HydrophobicContact CG-CZ2 3.89Å; R34-W65 HydrophobicContact CG-CZ3 3.84Å; R34-W65 WeakPolarHBondContact O-CZ3 3.44Å; R34-V68 HydrophobicContact CG-CG2 3.92Å; R34-S69 PolarHBondContact NH2-OG 3.26Å; R34-L756 HydrophobicContact CB-CD2 3.79Å; R34-L756 VanDerWaalsContact CD-O 3.29Å; R34-L756 WeakPolarHBondContact CD-O 3.5Å; R34-L756 PolarHBondContact NH1-O 2.93Å |
| 35 | V | 96 | Very high | 96.3 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -71.2 | -39.3 | 177.1 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | A31 S38 N39 A313 V316 L755 L756 | A31-V35 VanDerWaalsContact O-CB 3.29Å; A31-V35 WeakPolarHBondContact O-CB 3.31Å; A31-V35 VanDerWaalsContact O-CG2 3.25Å; A31-V35 WeakPolarHBondContact O-CG2 3.36Å; A31-V35 PolarHBondContact O-N 3.12Å; V35-S38 PolarHBondContact O-N 3.18Å; V35-N39 PolarHBondContact O-N 2.94Å; V35-N39 VanDerWaalsContact O-N 3.09Å; V35-N39 PolarHBondContact O-ND2 3.21Å; V35-A313 HydrophobicContact CG2-CB 3.9Å; V35-V316 HydrophobicContact CB-CB 4.29Å; V35-V316 HydrophobicContact CB-CG1 4.46Å; V35-V316 HydrophobicContact CB-CG2 4.19Å; V35-V316 HydrophobicContact CG1-CB 3.83Å; V35-V316 HydrophobicContact CG1-CG1 3.83Å; V35-V316 HydrophobicContact CG1-CG2 4.28Å; V35-L755 HydrophobicContact CG1-CD2 4.43Å; V35-L755 HydrophobicContact CG2-CD2 4.05Å; V35-L756 HydrophobicContact CG2-CD2 3.8Å |
| 36 | G | 95.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.5 | -56.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | V32 T33 S38 N39 G40 Y41 | V32-G36 WeakPolarHBondContact O-CA 3.32Å; V32-G36 PolarHBondContact O-N 2.79Å; T33-G36 PolarHBondContact O-N 3.39Å; G36-S38 VanDerWaalsContact C-N 3.28Å; G36-S38 PolarHBondContact O-N 3.13Å; G36-N39 CarbonylContact O-C 3.57Å; G36-N39 PolarHBondContact O-N 3.14Å; G36-G40 PolarHBondContact O-N 2.96Å; G36-Y41 WeakPolarHBondContact O-CB 3.32Å; G36-Y41 PolarHBondContact O-N 3.39Å |
| 37 | I | 94.3 | Very high | 96.3 | Very high | 52 Ų | 52 | 19.1 Ų | 19.1 | 27% | 0.267 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -57 | -42.6 | 178.8 | -67.5 | 168.2 | 0 | 0 | 0 | 111.1 | T33 N39 G40 V43 W65 | T33-I37 HydrophobicContact CG2-CD1 3.76Å; T33-I37 WeakPolarHBondContact O-CB 3.26Å; T33-I37 VanDerWaalsContact O-CG1 3.26Å; T33-I37 WeakPolarHBondContact O-CG1 3.28Å; T33-I37 PolarHBondContact O-N 2.94Å; I37-N39 PolarHBondContact O-N 3.39Å; I37-G40 PolarHBondContact O-N 3.48Å; I37-V43 HydrophobicContact CG1-CB 4.45Å; I37-V43 HydrophobicContact CG1-CG2 4.01Å; I37-W65 HydrophobicContact CG2-CE3 4.48Å |
| 38 | S | 92.6 | Very high | 96.3 | Very high | 52 Ų | 52 | 22.5 Ų | 22.5 | 36% | 0.364 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -64.4 | -25.2 | 179.7 | -57.8 | 0 | 0 | 0 | 0 | 113.3 | R34 V35 G36 | R34-S38 WeakPolarHBondContact O-CB 3.43Å; R34-S38 PolarHBondContact O-N 3.25Å; R34-S38 PolarHBondContact O-OG 3.16Å; V35-S38 PolarHBondContact O-N 3.18Å; G36-S38 VanDerWaalsContact C-N 3.28Å; G36-S38 PolarHBondContact O-N 3.13Å |
| 39 | N | 91.3 | Very high | 96.2 | Very high | 66 Ų | 66 | 22.5 Ų | 22.5 | 35% | 0.353 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 16.1 | 176.7 | -72.5 | -77.8 | 0 | 0 | 0 | 112.9 | V35 G36 I37 Y41 M320 | V35-N39 PolarHBondContact O-N 2.94Å; V35-N39 VanDerWaalsContact O-N 3.09Å; V35-N39 PolarHBondContact O-ND2 3.21Å; G36-N39 CarbonylContact O-C 3.57Å; G36-N39 PolarHBondContact O-N 3.14Å; I37-N39 PolarHBondContact O-N 3.39Å; N39-Y41 HydrophobicContact CB-CD2 4.39Å; N39-M320 HydrophobicContact CB-CE 3.87Å; N39-M320 HydrophobicContact CB-SD 3.59Å; N39-M320 VanDerWaalsContact CB-SD 3.59Å; N39-M320 VanDerWaalsContact CG-SD 3.51Å; N39-M320 WeakPolarHBondContact OD1-CE 3.49Å |
| 40 | G | 91.3 | Very high | 96.2 | Very high | 53 Ų | 53 | 23.1 Ų | 23.1 | 55% | 0.546 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 13.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G36 I37 | G36-G40 PolarHBondContact O-N 2.96Å; I37-G40 PolarHBondContact O-N 3.48Å |
| 41 | Y | 93.9 | Very high | 96.2 | Very high | 13 Ų | 13 | 24.9 Ų | 24.9 | 5% | 0.051 | 13% | 0.134 | C | C | . | . | trans | -77.2 | 140.5 | 172 | -79.2 | -89.9 | 0 | 0 | 0 | 112 | R11 M13 G36 N39 V43 D107 M320 | R11-Y41 HydrophobicContact CB-CD1 3.71Å; R11-Y41 HydrophobicContact CB-CE1 3.46Å; R11-Y41 VanDerWaalsContact CB-CE1 3.46Å; R11-Y41 HydrophobicContact CG-CE1 4.46Å; R11-Y41 WeakPolarHBondContact O-CA 3.5Å; R11-Y41 VanDerWaalsContact O-CD1 3.32Å; R11-Y41 WeakPolarHBondContact O-CD1 3.4Å; M13-Y41 HydrophobicContact CB-CD1 3.68Å; M13-Y41 HydrophobicContact CB-CE1 4.2Å; M13-Y41 HydrophobicContact CB-CG 4.3Å; M13-Y41 HydrophobicContact CE-CD1 3.95Å; M13-Y41 HydrophobicContact CE-CD2 4.11Å; M13-Y41 HydrophobicContact CE-CE1 3.89Å; M13-Y41 HydrophobicContact CE-CE2 4.06Å; M13-Y41 HydrophobicContact CE-CG 4.05Å; G36-Y41 WeakPolarHBondContact O-CB 3.32Å; G36-Y41 PolarHBondContact O-N 3.39Å; N39-Y41 HydrophobicContact CB-CD2 4.39Å; Y41-V43 PolarHBondContact O-N 3.34Å; Y41-D107 HydrophobicContact CE1-CB 4.2Å; Y41-D107 WeakPolarHBondContact CE1-OD2 3.47Å; Y41-D107 PolarHBondContact OH-OD2 3.35Å; Y41-M320 HydrophobicContact CE2-CG 3.75Å; Y41-M320 HydrophobicContact CE2-SD 4.34Å | ||
| 42 | R | 96.2 | Very high | 96.2 | Very high | 83 Ų | 83 | 24.9 Ų | 24.9 | 31% | 0.313 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 106.9 | 155.9 | -69 | -178.7 | 62.6 | -151.7 | -0.5 | 108.2 | E10 R11 S12 M13 F44 E62 | E10-R42 WeakPolarHBondContact OE2-CD 3.39Å; R11-R42 PolarHBondContact O-N 3.5Å; S12-R42 CarbonylContact C-O 3.43Å; S12-R42 VanDerWaalsContact CA-O 3.26Å; S12-R42 WeakPolarHBondContact CA-O 3.39Å; M13-R42 PolarHBondContact N-O 3.05Å; R42-F44 HydrophobicContact CB-CE2 4.2Å; R42-E62 IonicContact CZ-OE1 2.88Å; R42-E62 IonicContact CZ-OE2 3.09Å; R42-E62 IonicContact NE-OE1 2.85Å; R42-E62 PolarHBondContact NE-OE1 3.3Å; R42-E62 IonicContact NE-OE2 3.02Å; R42-E62 IonicContact NH2-OE1 3.8Å; R42-E62 PolarHBondContact NH2-OE1 3.28Å; R42-E62 IonicContact NH2-OE2 3.69Å; R42-E62 PolarHBondContact NH2-OE2 3.13Å |
| 43 | V | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 131.1 | -176.1 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | M13 V15 T33 I37 Y41 A63 | M13-V43 CarbonylContact O-C 3.55Å; M13-V43 WeakPolarHBondContact O-CA 3.28Å; V15-V43 HydrophobicContact CG1-CG1 4.08Å; T33-V43 HydrophobicContact CG2-CG1 4.34Å; I37-V43 HydrophobicContact CG1-CB 4.45Å; I37-V43 HydrophobicContact CG1-CG2 4.01Å; Y41-V43 PolarHBondContact O-N 3.34Å; V43-A63 HydrophobicContact CB-CB 4.25Å; V43-A63 HydrophobicContact CG1-CB 4.33Å; V43-A63 WeakPolarHBondContact O-CB 3.46Å; V43-A63 PolarHBondContact O-N 3.45Å |
| 44 | F | 98.3 | Very high | 96.2 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 4% | 0.044 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127.7 | 174.9 | -70.8 | -93.4 | 0 | 0 | 0 | 110.3 | M13 G14 V15 R42 F60 E61 E62 H103 I105 | M13-F44 PolarHBondContact O-N 3.33Å; G14-F44 CarbonylContact C-O 3.58Å; G14-F44 WeakPolarHBondContact CA-O 3.31Å; V15-F44 PolarHBondContact N-O 2.91Å; R42-F44 HydrophobicContact CB-CE2 4.2Å; F44-F60 HydrophobicContact CD1-CB 4.42Å; F44-E61 CarbonylContact C-O 3.5Å; F44-E61 VanDerWaalsContact CA-O 3.28Å; F44-E61 WeakPolarHBondContact CA-O 3.27Å; F44-E62 HydrophobicContact CD1-CB 4.13Å; F44-E62 HydrophobicContact CE1-CB 3.8Å; F44-E62 HydrophobicContact CE1-CG 4.33Å; F44-E62 HydrophobicContact CZ-CB 4.31Å; F44-E62 HydrophobicContact CZ-CG 4.36Å; F44-H103 AromaticContact CE1-CD2 3.94Å; F44-I105 HydrophobicContact CB-CD1 3.8Å; F44-I105 HydrophobicContact CD2-CD1 4Å; F44-I105 HydrophobicContact CD2-CG1 3.99Å; F44-I105 HydrophobicContact CG-CD1 3.94Å; F44-I105 HydrophobicContact CG-CG1 4.44Å |
| 45 | L | 98.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 118.9 | 167.7 | -50.1 | -176.2 | 0 | 0 | 0 | 107.9 | V15 L29 E61 A63 I79 | V15-L45 HydrophobicContact CG1-CD2 3.68Å; L29-L45 HydrophobicContact CD1-CD2 4.03Å; L45-E61 HydrophobicContact CB-CB 4.31Å; L45-E61 PolarHBondContact N-O 3.22Å; L45-E61 PolarHBondContact O-N 2.98Å; L45-A63 HydrophobicContact CD1-CB 4.22Å; L45-A63 HydrophobicContact CD2-CB 3.85Å; L45-A63 HydrophobicContact CG-CB 3.74Å; L45-I79 HydrophobicContact CB-CG2 3.96Å; L45-I79 HydrophobicContact CD1-CG2 4.05Å; L45-I79 HydrophobicContact CG-CG2 4.46Å |
| 46 | I | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 106.9 | 176.4 | -47.1 | 173.7 | 0 | 0 | 0 | 108 | V15 F16 M53 Y59 F60 L100 L108 | V15-I46 PolarHBondContact O-N 3.41Å; F16-I46 HydrophobicContact CB-CB 3.8Å; F16-I46 HydrophobicContact CB-CD1 4.41Å; F16-I46 HydrophobicContact CB-CG1 4.45Å; I46-M53 HydrophobicContact CD1-CE 3.94Å; I46-M53 HydrophobicContact CG2-CB 4.01Å; I46-Y59 WeakPolarHBondContact CA-O 3.12Å; I46-F60 HydrophobicContact CD1-CD1 4.37Å; I46-F60 HydrophobicContact CD1-CE1 3.68Å; I46-F60 HydrophobicContact CD1-CZ 4.15Å; I46-F60 HydrophobicContact CG1-CD1 3.92Å; I46-F60 HydrophobicContact CG1-CE1 3.7Å; I46-F60 HydrophobicContact CG1-CZ 4.27Å; I46-F60 HydrophobicContact CG2-CE1 4.32Å; I46-F60 HydrophobicContact CG2-CE2 4.2Å; I46-F60 HydrophobicContact CG2-CZ 4.05Å; I46-L100 HydrophobicContact CD1-CD2 4.04Å; I46-L108 HydrophobicContact CD1-CD1 3.82Å |
| 47 | H | 98 | Very high | 96.1 | Very high | 43 Ų | 43 | 29.7 Ų | 29.7 | 20% | 0.199 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 151.8 | -177.3 | -70.7 | -90.9 | 0 | 0 | 0 | 111.8 | G49 G52 Y59 E61 I79 | H47-G49 PolarHBondContact O-N 3.47Å; H47-G49 VanDerWaalsContact O-N 3.08Å; H47-G52 WeakPolarHBondContact O-CA 3.16Å; H47-G52 PolarHBondContact O-N 3.19Å; H47-Y59 HydrophobicContact CB-CD1 3.89Å; H47-Y59 PolarHBondContact CD2-O 2.87Å; H47-Y59 PolarHBondContact N-O 2.89Å; H47-E61 IonicContact CE1-OE2 2.97Å; H47-E61 PolarHBondContact CE1-OE2 3.24Å; H47-E61 IonicContact NE2-OE2 3.11Å; H47-E61 PolarHBondContact NE2-OE2 3.38Å; H47-I79 CarbonylContact C-O 3.53Å; H47-I79 WeakPolarHBondContact CA-O 3.45Å |
| 48 | E | 97.2 | Very high | 96.1 | Very high | 70 Ų | 70 | 35 Ų | 35 | 33% | 0.327 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 25.2 | 178.3 | -57.9 | -53.4 | 142.8 | 0 | 0 | 115.2 | Y50 Q51 Y59 I79 G80 S81 A82 | E48-Y50 PolarHBondContact O-N 2.85Å; E48-Q51 HydrophobicContact CB-CB 4.4Å; E48-Q51 WeakPolarHBondContact O-CB 3.34Å; E48-Q51 PolarHBondContact O-N 3.33Å; E48-Y59 HydrophobicContact CB-CD1 4.29Å; E48-Y59 HydrophobicContact CB-CE1 4.08Å; E48-Y59 HydrophobicContact CG-CD1 4.25Å; E48-Y59 HydrophobicContact CG-CE1 3.77Å; E48-I79 PolarHBondContact N-O 2.78Å; E48-G80 WeakPolarHBondContact OE1-CA 3.44Å; E48-S81 PolarHBondContact OE2-N 2.79Å; E48-A82 HydrophobicContact CB-CB 3.95Å; E48-A82 PolarHBondContact O-N 3.16Å |
| 49 | G | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | -132.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T17 H47 Q51 G52 M53 | T17-G49 WeakPolarHBondContact O-CA 3.44Å; H47-G49 PolarHBondContact O-N 3.47Å; H47-G49 VanDerWaalsContact O-N 3.08Å; G49-Q51 PolarHBondContact O-N 2.93Å; G49-G52 PolarHBondContact O-N 3.16Å; G49-M53 PolarHBondContact O-N 3.37Å; G49-M53 VanDerWaalsContact O-N 3.1Å |
| 50 | Y | 97.7 | Very high | 96.6 | Very high | 14 Ų | 14 | 34.2 Ų | 34.2 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.1 | -25.6 | 178.4 | -72.7 | -60.2 | 0 | 0 | 0 | 113.1 | F16 S18 E48 M53 V54 F87 S116 L120 | F16-Y50 HydrophobicContact CE2-CD1 4.05Å; F16-Y50 HydrophobicContact CE2-CD2 4.32Å; F16-Y50 AromaticContact CE2-CE1 3.67Å; F16-Y50 HydrophobicContact CE2-CE1 3.67Å; F16-Y50 AromaticContact CE2-CE2 3.96Å; F16-Y50 HydrophobicContact CE2-CE2 3.96Å; F16-Y50 HydrophobicContact CE2-CG 4.35Å; F16-Y50 AromaticContact CE2-CZ 3.62Å; F16-Y50 HydrophobicContact CZ-CD1 4.39Å; F16-Y50 AromaticContact CZ-CE1 3.65Å; F16-Y50 HydrophobicContact CZ-CE1 3.65Å; F16-Y50 HydrophobicContact CZ-CE2 4.44Å; F16-Y50 AromaticContact CZ-CZ 3.67Å; S18-Y50 WeakPolarHBondContact OG-CD2 3.36Å; S18-Y50 WeakPolarHBondContact OG-CE2 3.43Å; E48-Y50 PolarHBondContact O-N 2.85Å; Y50-M53 HydrophobicContact CD1-CE 4.16Å; Y50-M53 HydrophobicContact CD1-SD 4.06Å; Y50-M53 HydrophobicContact CE1-CE 4.25Å; Y50-M53 HydrophobicContact CE1-SD 4.34Å; Y50-M53 PolarHBondContact O-N 3.27Å; Y50-V54 VanDerWaalsContact O-CG2 3.27Å; Y50-V54 WeakPolarHBondContact O-CG2 3.25Å; Y50-V54 PolarHBondContact O-N 3.33Å; Y50-F87 AromaticContact CD1-CD1 3.9Å; Y50-F87 HydrophobicContact CD1-CD1 3.9Å; Y50-F87 AromaticContact CD1-CD2 3.78Å; Y50-F87 HydrophobicContact CD1-CD2 3.78Å; Y50-F87 AromaticContact CD1-CE1 3.66Å; Y50-F87 HydrophobicContact CD1-CE1 3.66Å; Y50-F87 AromaticContact CD1-CE2 3.52Å; Y50-F87 HydrophobicContact CD1-CE2 3.52Å; Y50-F87 AromaticContact CD1-CG 3.95Å; Y50-F87 HydrophobicContact CD1-CG 3.95Å; Y50-F87 AromaticContact CD1-CZ 3.46Å; Y50-F87 HydrophobicContact CD1-CZ 3.46Å; Y50-F87 VanDerWaalsContact CD1-CZ 3.46Å; Y50-F87 HydrophobicContact CD2-CD1 4.36Å; Y50-F87 HydrophobicContact CE1-CD1 4.21Å; Y50-F87 AromaticContact CE1-CE1 3.56Å; Y50-F87 HydrophobicContact CE1-CE1 3.56Å; Y50-F87 AromaticContact CE1-CE2 3.93Å; Y50-F87 HydrophobicContact CE1-CE2 3.93Å; Y50-F87 AromaticContact CE1-CZ 3.39Å; Y50-F87 HydrophobicContact CE1-CZ 3.39Å; Y50-F87 HydrophobicContact CE2-CE1 4.47Å; Y50-F87 AromaticContact CG-CD1 3.99Å; Y50-F87 HydrophobicContact CG-CD1 3.99Å; Y50-F87 HydrophobicContact CG-CD2 4.2Å; Y50-F87 HydrophobicContact CG-CE1 4.18Å; Y50-F87 HydrophobicContact CG-CE2 4.37Å; Y50-F87 AromaticContact CG-CG 4Å; Y50-F87 HydrophobicContact CG-CG 4Å; Y50-F87 HydrophobicContact CG-CZ 4.36Å; Y50-F87 AromaticContact CZ-CE1 3.99Å; Y50-S116 PolarHBondContact OH-O 3.07Å; Y50-L120 WeakPolarHBondContact OH-CA 3.26Å; Y50-L120 PolarHBondContact OH-N 3.15Å |
| 51 | Q | 97.2 | Very high | 96.9 | Very high | 45 Ų | 45 | 35 Ų | 35 | 21% | 0.21 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.4 | -52.4 | 179.5 | -173.6 | 57.2 | 52.1 | 0 | 0 | 110.4 | E48 G49 M53 V54 D55 A82 C84 | E48-Q51 HydrophobicContact CB-CB 4.4Å; E48-Q51 WeakPolarHBondContact O-CB 3.34Å; E48-Q51 PolarHBondContact O-N 3.33Å; G49-Q51 PolarHBondContact O-N 2.93Å; Q51-M53 VanDerWaalsContact C-N 3.25Å; Q51-M53 PolarHBondContact O-N 3.05Å; Q51-V54 PolarHBondContact O-N 3.12Å; Q51-V54 VanDerWaalsContact O-N 3.1Å; Q51-D55 VanDerWaalsContact NE2-CG 3.26Å; Q51-D55 PolarHBondContact NE2-OD1 2.82Å; Q51-D55 VanDerWaalsContact NE2-OD1 3.11Å; Q51-D55 PolarHBondContact NE2-OD2 2.93Å; Q51-D55 PolarHBondContact O-N 2.94Å; Q51-A82 HydrophobicContact CB-CB 3.8Å; Q51-A82 HydrophobicContact CG-CB 4.35Å; Q51-C84 HydrophobicContact CB-CB 4.13Å; Q51-C84 PolarHBondContact OE1-SG 3.28Å |
| 52 | G | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.7 | -29.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | H47 G49 V54 D55 G56 Y59 | H47-G52 WeakPolarHBondContact O-CA 3.16Å; H47-G52 PolarHBondContact O-N 3.19Å; G49-G52 PolarHBondContact O-N 3.16Å; G52-V54 VanDerWaalsContact C-N 3.31Å; G52-V54 PolarHBondContact O-N 3.11Å; G52-D55 PolarHBondContact O-N 3.08Å; G52-G56 PolarHBondContact O-N 3.02Å; G52-Y59 VanDerWaalsContact CA-CG 3.48Å |
| 53 | M | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.7 | -39.7 | 171.7 | -163.5 | -175.3 | -70 | 0 | 0 | 112.4 | F16 I46 G49 Y50 Q51 F60 F87 A96 N99 L100 L108 L123 | F16-M53 HydrophobicContact CD1-CE 3.77Å; F16-M53 HydrophobicContact CD2-CE 4.22Å; F16-M53 HydrophobicContact CE1-CE 3.7Å; F16-M53 HydrophobicContact CE2-CE 4.13Å; F16-M53 HydrophobicContact CG-CE 4.04Å; F16-M53 HydrophobicContact CZ-CE 3.87Å; I46-M53 HydrophobicContact CD1-CE 3.94Å; I46-M53 HydrophobicContact CG2-CB 4.01Å; G49-M53 PolarHBondContact O-N 3.37Å; G49-M53 VanDerWaalsContact O-N 3.1Å; Y50-M53 HydrophobicContact CD1-CE 4.16Å; Y50-M53 HydrophobicContact CD1-SD 4.06Å; Y50-M53 HydrophobicContact CE1-CE 4.25Å; Y50-M53 HydrophobicContact CE1-SD 4.34Å; Y50-M53 PolarHBondContact O-N 3.27Å; Q51-M53 VanDerWaalsContact C-N 3.25Å; Q51-M53 PolarHBondContact O-N 3.05Å; M53-F60 HydrophobicContact CG-CZ 4.23Å; M53-F87 HydrophobicContact SD-CE2 4.36Å; M53-A96 HydrophobicContact CB-CB 4.48Å; M53-A96 HydrophobicContact CG-CB 3.85Å; M53-A96 WeakPolarHBondContact O-CA 3.29Å; M53-A96 HydrophobicContact SD-CB 4.04Å; M53-N99 PolarHBondContact O-ND2 3.3Å; M53-L100 HydrophobicContact CG-CD1 4.44Å; M53-L100 HydrophobicContact CG-CG 4.34Å; M53-L100 HydrophobicContact SD-CD1 3.97Å; M53-L100 HydrophobicContact SD-CG 4.46Å; M53-L108 HydrophobicContact CE-CD1 4.28Å; M53-L108 HydrophobicContact CE-CD2 4.02Å; M53-L123 HydrophobicContact SD-CD2 4.32Å |
| 54 | V | 97.5 | Very high | 96.8 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.03 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -76 | -37.5 | 176 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | Y50 Q51 G52 A86 F87 K95 A96 N99 | Y50-V54 VanDerWaalsContact O-CG2 3.27Å; Y50-V54 WeakPolarHBondContact O-CG2 3.25Å; Y50-V54 PolarHBondContact O-N 3.33Å; Q51-V54 PolarHBondContact O-N 3.12Å; Q51-V54 VanDerWaalsContact O-N 3.1Å; G52-V54 VanDerWaalsContact C-N 3.31Å; G52-V54 PolarHBondContact O-N 3.11Å; V54-A86 HydrophobicContact CG1-CB 4.06Å; V54-F87 HydrophobicContact CG2-CB 4.28Å; V54-F87 HydrophobicContact CG2-CD2 3.82Å; V54-K95 HydrophobicContact CG1-CB 4.44Å; V54-K95 HydrophobicContact CG1-CD 4.04Å; V54-K95 WeakPolarHBondContact O-CD 3.36Å; V54-K95 WeakPolarHBondContact O-CE 3.39Å; V54-K95 WeakPolarHBondContact O-CG 3.23Å; V54-K95 PolarHBondContact O-NZ 2.87Å; V54-K95 VanDerWaalsContact O-NZ 3.15Å; V54-A96 HydrophobicContact CG2-CB 4.07Å; V54-N99 PolarHBondContact O-ND2 2.8Å |
| 55 | D | 96.9 | Very high | 96.3 | Very high | 61 Ų | 61 | 40.2 Ų | 40.2 | 33% | 0.326 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -73.3 | -36.9 | -176.2 | -69.1 | -22.4 | 0 | 0 | 0 | 112.1 | Q51 G52 Y59 | Q51-D55 VanDerWaalsContact NE2-CG 3.26Å; Q51-D55 PolarHBondContact NE2-OD1 2.82Å; Q51-D55 VanDerWaalsContact NE2-OD1 3.11Å; Q51-D55 PolarHBondContact NE2-OD2 2.93Å; Q51-D55 PolarHBondContact O-N 2.94Å; G52-D55 PolarHBondContact O-N 3.08Å; D55-Y59 HydrophobicContact CB-CD2 3.73Å; D55-Y59 HydrophobicContact CB-CE2 3.71Å |
| 56 | G | 94.7 | Very high | 95.8 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | trans | 74 | -166.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G52 D58 Y59 N99 | G52-G56 PolarHBondContact O-N 3.02Å; G56-D58 PolarHBondContact O-N 3.02Å; G56-Y59 WeakPolarHBondContact O-CD2 3.44Å; G56-N99 VanDerWaalsContact CA-ND2 3.32Å; G56-N99 WeakPolarHBondContact CA-ND2 3.45Å; G56-N99 PolarHBondContact N-ND2 2.9Å | ||
| 57 | G | 94.2 | Very high | 95.5 | Very high | 49 Ų | 49 | 45.9 Ų | 45.9 | 51% | 0.505 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | 62.8 | -129.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y59 F60 | G57-Y59 PolarHBondContact O-N 3Å; G57-F60 PolarHBondContact O-N 2.92Å |
| 58 | D | 94.2 | Very high | 95.3 | Very high | 163 Ų | 163 | 43.9 Ų | 43.9 | 87% | 0.872 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -62 | -12.8 | -174 | -60.7 | -25.1 | 0 | 0 | 0 | 114.4 | G56 F60 | G56-D58 PolarHBondContact O-N 3.02Å; D58-F60 PolarHBondContact O-N 3.01Å |
| 59 | Y | 97.6 | Very high | 94.9 | Very high | 88 Ų | 88 | 42.5 Ų | 42.5 | 35% | 0.345 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -68.6 | -13.8 | 171 | -72.8 | -80 | 0 | 0 | 0 | 113.2 | I46 H47 E48 G52 D55 G56 G57 | I46-Y59 WeakPolarHBondContact CA-O 3.12Å; H47-Y59 HydrophobicContact CB-CD1 3.89Å; H47-Y59 PolarHBondContact CD2-O 2.87Å; H47-Y59 PolarHBondContact N-O 2.89Å; E48-Y59 HydrophobicContact CB-CD1 4.29Å; E48-Y59 HydrophobicContact CB-CE1 4.08Å; E48-Y59 HydrophobicContact CG-CD1 4.25Å; E48-Y59 HydrophobicContact CG-CE1 3.77Å; G52-Y59 VanDerWaalsContact CA-CG 3.48Å; D55-Y59 HydrophobicContact CB-CD2 3.73Å; D55-Y59 HydrophobicContact CB-CE2 3.71Å; G56-Y59 WeakPolarHBondContact O-CD2 3.44Å; G57-Y59 PolarHBondContact O-N 3Å |
| 60 | F | 98 | Very high | 94.4 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 100.4 | 173.1 | -73.5 | -106.1 | 0 | 0 | 0 | 109.6 | F44 I46 M53 G57 D58 N99 L100 H103 I105 | F44-F60 HydrophobicContact CD1-CB 4.42Å; I46-F60 HydrophobicContact CD1-CD1 4.37Å; I46-F60 HydrophobicContact CD1-CE1 3.68Å; I46-F60 HydrophobicContact CD1-CZ 4.15Å; I46-F60 HydrophobicContact CG1-CD1 3.92Å; I46-F60 HydrophobicContact CG1-CE1 3.7Å; I46-F60 HydrophobicContact CG1-CZ 4.27Å; I46-F60 HydrophobicContact CG2-CE1 4.32Å; I46-F60 HydrophobicContact CG2-CE2 4.2Å; I46-F60 HydrophobicContact CG2-CZ 4.05Å; M53-F60 HydrophobicContact CG-CZ 4.23Å; G57-F60 PolarHBondContact O-N 2.92Å; D58-F60 PolarHBondContact O-N 3.01Å; F60-N99 HydrophobicContact CE2-CB 4.04Å; F60-N99 HydrophobicContact CZ-CB 4.07Å; F60-L100 HydrophobicContact CE1-CD2 4.03Å; F60-L100 HydrophobicContact CZ-CD2 4.36Å; F60-H103 WeakPolarHBondContact CB-NE2 3.34Å; F60-H103 HydrophobicContact CD1-CB 4.42Å; F60-H103 AromaticContact CD1-CG 3.92Å; F60-H103 AromaticContact CD1-ND1 3.85Å; F60-H103 AromaticContact CD2-CE1 3.94Å; F60-H103 AromaticContact CG-CE1 3.69Å; F60-H103 AromaticContact CG-ND1 3.86Å; F60-H103 AromaticContact CG-NE2 3.9Å; F60-I105 HydrophobicContact CD1-CD1 3.72Å; F60-I105 HydrophobicContact CE1-CD1 3.7Å |
| 61 | E | 97.3 | Very high | 94.2 | Very high | 70 Ų | 70 | 44 Ų | 44 | 33% | 0.327 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122 | 175.8 | 179.7 | -164.1 | 152.7 | 0 | 0 | 110 | F44 L45 H47 A63 S67 | F44-E61 CarbonylContact C-O 3.5Å; F44-E61 VanDerWaalsContact CA-O 3.28Å; F44-E61 WeakPolarHBondContact CA-O 3.27Å; L45-E61 HydrophobicContact CB-CB 4.31Å; L45-E61 PolarHBondContact N-O 3.22Å; L45-E61 PolarHBondContact O-N 2.98Å; H47-E61 IonicContact CE1-OE2 2.97Å; H47-E61 PolarHBondContact CE1-OE2 3.24Å; H47-E61 IonicContact NE2-OE2 3.11Å; H47-E61 PolarHBondContact NE2-OE2 3.38Å; E61-A63 PolarHBondContact O-N 3.16Å; E61-S67 PolarHBondContact OE1-OG 2.96Å |
| 62 | E | 97.1 | Very high | 94.1 | Very high | 95 Ų | 95 | 42 Ų | 42 | 44% | 0.444 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 114.9 | 168.2 | -173.4 | 165.4 | -173.7 | 0 | 0 | 110 | R42 F44 | R42-E62 IonicContact CZ-OE1 2.88Å; R42-E62 IonicContact CZ-OE2 3.09Å; R42-E62 IonicContact NE-OE1 2.85Å; R42-E62 PolarHBondContact NE-OE1 3.3Å; R42-E62 IonicContact NE-OE2 3.02Å; R42-E62 IonicContact NH2-OE1 3.8Å; R42-E62 PolarHBondContact NH2-OE1 3.28Å; R42-E62 IonicContact NH2-OE2 3.69Å; R42-E62 PolarHBondContact NH2-OE2 3.13Å; F44-E62 HydrophobicContact CD1-CB 4.13Å; F44-E62 HydrophobicContact CE1-CB 3.8Å; F44-E62 HydrophobicContact CE1-CG 4.33Å; F44-E62 HydrophobicContact CZ-CB 4.31Å; F44-E62 HydrophobicContact CZ-CG 4.36Å |
| 63 | A | 96.3 | Very high | 93.9 | Very high | 11 Ų | 11 | 42.8 Ų | 42.8 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | trans | -75.9 | 134.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T33 V43 L45 E61 | T33-A63 HydrophobicContact CG2-CB 3.61Å; V43-A63 HydrophobicContact CB-CB 4.25Å; V43-A63 HydrophobicContact CG1-CB 4.33Å; V43-A63 WeakPolarHBondContact O-CB 3.46Å; V43-A63 PolarHBondContact O-N 3.45Å; L45-A63 HydrophobicContact CD1-CB 4.22Å; L45-A63 HydrophobicContact CD2-CB 3.85Å; L45-A63 HydrophobicContact CG-CB 3.74Å; E61-A63 PolarHBondContact O-N 3.16Å | ||
| 64 | S | 92.3 | Very high | 93.8 | Very high | 55 Ų | 55 | 47.5 Ų | 47.5 | 39% | 0.385 | 26% | 0.256 | S | S | . | . | trans | -97.8 | 169.6 | 163.6 | 73.6 | 0 | 0 | 0 | 0 | 110.9 | N66 S67 | S64-N66 PolarHBondContact O-N 3.29Å; S64-N66 VanDerWaalsContact O-N 3.15Å; S64-N66 PolarHBondContact OG-N 2.82Å; S64-S67 PolarHBondContact N-OG 2.87Å; S64-S67 WeakPolarHBondContact O-CB 3.37Å; S64-S67 PolarHBondContact O-N 2.87Å; S64-S67 VanDerWaalsContact O-N 3.13Å; S64-S67 PolarHBondContact OG-N 3Å; S64-S67 VanDerWaalsContact OG-N 3.13Å; S64-S67 PolarHBondContact OG-OG 3.06Å; S64-S67 VanDerWaalsContact OG-OG 3.08Å | ||
| 65 | W | 88 | Confident | 93.6 | Very high | 54 Ų | 54 | 48.7 Ų | 48.7 | 21% | 0.205 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -33.5 | 169.2 | -167.7 | -91 | 0 | 0 | 0 | 112.9 | R34 I37 S69 L755 L756 A758 | R34-W65 HydrophobicContact CB-CE3 4.27Å; R34-W65 HydrophobicContact CB-CH2 3.66Å; R34-W65 HydrophobicContact CB-CZ2 4.25Å; R34-W65 HydrophobicContact CB-CZ3 3.69Å; R34-W65 VanDerWaalsContact CD-CZ2 3.48Å; R34-W65 HydrophobicContact CG-CD2 4.09Å; R34-W65 HydrophobicContact CG-CE3 3.98Å; R34-W65 HydrophobicContact CG-CH2 3.78Å; R34-W65 HydrophobicContact CG-CZ2 3.89Å; R34-W65 HydrophobicContact CG-CZ3 3.84Å; R34-W65 WeakPolarHBondContact O-CZ3 3.44Å; I37-W65 HydrophobicContact CG2-CE3 4.48Å; W65-S69 PolarHBondContact O-OG 3.19Å; W65-L755 VanDerWaalsContact CH2-O 3.27Å; W65-L755 WeakPolarHBondContact CH2-O 3.38Å; W65-L756 VanDerWaalsContact CZ2-O 3.28Å; W65-L756 WeakPolarHBondContact CZ2-O 3.4Å; W65-A758 HydrophobicContact CD2-CB 4.33Å; W65-A758 HydrophobicContact CH2-CB 3.95Å; W65-A758 HydrophobicContact CZ2-CB 3.52Å; W65-A758 HydrophobicContact CZ3-CB 4.49Å |
| 66 | N | 87.9 | Confident | 93.4 | Very high | 90 Ų | 90 | 46.3 Ų | 46.3 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -26.9 | -177.5 | -70.9 | -15.6 | 0 | 0 | 0 | 112.5 | S64 V68 S69 | S64-N66 PolarHBondContact O-N 3.29Å; S64-N66 VanDerWaalsContact O-N 3.15Å; S64-N66 PolarHBondContact OG-N 2.82Å; N66-V68 PolarHBondContact O-N 2.83Å; N66-V68 VanDerWaalsContact O-N 3.09Å; N66-S69 WeakPolarHBondContact O-CB 3.43Å; N66-S69 PolarHBondContact O-N 3.28Å |
| 67 | S | 91.2 | Very high | 93.5 | Very high | 32 Ų | 32 | 47.3 Ų | 47.3 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -27.3 | 179.5 | -58.4 | 0 | 0 | 0 | 0 | 112.9 | E61 S64 | E61-S67 PolarHBondContact OE1-OG 2.96Å; S64-S67 PolarHBondContact N-OG 2.87Å; S64-S67 WeakPolarHBondContact O-CB 3.37Å; S64-S67 PolarHBondContact O-N 2.87Å; S64-S67 VanDerWaalsContact O-N 3.13Å; S64-S67 PolarHBondContact OG-N 3Å; S64-S67 VanDerWaalsContact OG-N 3.13Å; S64-S67 PolarHBondContact OG-OG 3.06Å; S64-S67 VanDerWaalsContact OG-OG 3.08Å |
| 68 | V | 93.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 23.8 | 178.4 | -62.3 | 0 | 0 | 0 | 0 | 113.4 | L29 R30 T33 R34 N66 V71 | L29-V68 HydrophobicContact CG-CG1 4.41Å; R30-V68 HydrophobicContact CB-CB 4.11Å; R30-V68 HydrophobicContact CB-CG2 4.38Å; R30-V68 HydrophobicContact CG-CB 4.22Å; R30-V68 HydrophobicContact CG-CG2 4.08Å; T33-V68 HydrophobicContact CG2-CG1 4.04Å; T33-V68 HydrophobicContact CG2-CG2 3.89Å; R34-V68 HydrophobicContact CG-CG2 3.92Å; N66-V68 PolarHBondContact O-N 2.83Å; N66-V68 VanDerWaalsContact O-N 3.09Å; V68-V71 HydrophobicContact CB-CG2 4.32Å; V68-V71 WeakPolarHBondContact O-CG2 3.43Å |
| 69 | S | 88.9 | Confident | 93.7 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 29% | 0.287 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 142.8 | 176.7 | -71 | 0 | 0 | 0 | 0 | 111.9 | R34 W65 N66 V71 | R34-S69 PolarHBondContact NH2-OG 3.26Å; W65-S69 PolarHBondContact O-OG 3.19Å; N66-S69 WeakPolarHBondContact O-CB 3.43Å; N66-S69 PolarHBondContact O-N 3.28Å; S69-V71 WeakPolarHBondContact O-CG1 3.38Å; S69-V71 PolarHBondContact O-N 2.93Å; S69-V71 VanDerWaalsContact O-N 3.12Å |
| 70 | D | 87 | Confident | 93.6 | Very high | 37 Ų | 37 | 37.2 Ų | 37.2 | 20% | 0.198 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 23.9 | -179.1 | -67.7 | -11.5 | 0 | 0 | 0 | 116.2 | Q73 Y74 R564 R625 | D70-Q73 PolarHBondContact O-NE2 2.54Å; D70-Q73 PolarHBondContact O-OE1 2.83Å; D70-Y74 WeakPolarHBondContact O-CD2 3.36Å; D70-Y74 WeakPolarHBondContact O-CE2 3.28Å; D70-R564 IonicContact OD2-CZ 2.88Å; D70-R564 IonicContact OD2-NE 3.65Å; D70-R564 PolarHBondContact OD2-NE 3.22Å; D70-R564 IonicContact OD2-NH2 3.66Å; D70-R564 PolarHBondContact OD2-NH2 3.23Å; D70-R625 IonicContact OD1-CZ 3.71Å; D70-R625 IonicContact OD1-NE 3.11Å; D70-R625 PolarHBondContact OD1-NE 3.44Å; D70-R625 IonicContact OD1-NH2 2.79Å; D70-R625 PolarHBondContact OD1-NH2 3.13Å; D70-R625 IonicContact OD2-NE 2.63Å |
| 71 | V | 93.7 | Very high | 93.5 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | trans | -92.2 | -16.2 | 179.7 | -55.6 | 0 | 0 | 0 | 0 | 114.2 | N26 R30 V68 S69 Q73 Y74 I78 | N26-V71 HydrophobicContact CB-CB 4.2Å; N26-V71 HydrophobicContact CB-CG2 4.18Å; N26-V71 WeakPolarHBondContact CB-O 3.41Å; R30-V71 HydrophobicContact CB-CG2 3.97Å; V68-V71 HydrophobicContact CB-CG2 4.32Å; V68-V71 WeakPolarHBondContact O-CG2 3.43Å; S69-V71 WeakPolarHBondContact O-CG1 3.38Å; S69-V71 PolarHBondContact O-N 2.93Å; S69-V71 VanDerWaalsContact O-N 3.12Å; V71-Q73 PolarHBondContact O-N 3.35Å; V71-Q73 VanDerWaalsContact O-N 3.15Å; V71-Y74 PolarHBondContact O-N 3.09Å; V71-Y74 VanDerWaalsContact O-N 3.07Å; V71-I78 HydrophobicContact CB-CG2 4.3Å; V71-I78 HydrophobicContact CG1-CD1 3.97Å; V71-I78 HydrophobicContact CG1-CG1 4.39Å; V71-I78 HydrophobicContact CG1-CG2 3.97Å | ||
| 72 | I | 95.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -27.7 | -167.8 | -161.5 | 168.4 | 0 | 0 | 0 | 114 | A27 R305 A590 | A27-I72 HydrophobicContact CB-CD1 4.46Å; A27-I72 HydrophobicContact CB-CG1 3.82Å; I72-R305 HydrophobicContact CG1-CB 4.4Å; I72-R305 HydrophobicContact CG1-CG 4.31Å; I72-A590 VanDerWaalsContact CD1-O 3.31Å; I72-A590 WeakPolarHBondContact CD1-O 3.42Å |
| 73 | Q | 94.2 | Very high | 92.8 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -2.7 | -180 | 71.1 | -80.2 | -6.4 | 0 | 0 | 114.6 | D70 V71 P300 D557 | D70-Q73 PolarHBondContact O-NE2 2.54Å; D70-Q73 PolarHBondContact O-OE1 2.83Å; V71-Q73 PolarHBondContact O-N 3.35Å; V71-Q73 VanDerWaalsContact O-N 3.15Å; Q73-P300 VanDerWaalsContact O-CD 3.28Å; Q73-P300 WeakPolarHBondContact O-CD 3.4Å; Q73-D557 HydrophobicContact CB-CB 4.44Å; Q73-D557 VanDerWaalsContact CB-CG 3.46Å; Q73-D557 WeakPolarHBondContact CB-OD1 3.42Å; Q73-D557 WeakPolarHBondContact CB-OD2 3.4Å |
| 74 | Y | 94.3 | Very high | 92.6 | Very high | 99 Ų | 99 | 43.8 Ų | 43.8 | 39% | 0.388 | 23% | 0.231 | S | C | . | . | trans | -95.6 | 136.8 | 180 | -61.3 | -55.7 | 0 | 0 | 0 | 111.3 | N26 D70 V71 R564 | N26-Y74 PolarHBondContact ND2-O 3.49Å; D70-Y74 WeakPolarHBondContact O-CD2 3.36Å; D70-Y74 WeakPolarHBondContact O-CE2 3.28Å; V71-Y74 PolarHBondContact O-N 3.09Å; V71-Y74 VanDerWaalsContact O-N 3.07Å; Y74-R564 PolarHBondContact OH-NH1 2.75Å; Y74-R564 PolarHBondContact OH-NH2 2.83Å | ||
| 75 | S | 92.9 | Very high | 92.6 | Very high | 30 Ų | 30 | 50 Ų | 50 | 21% | 0.21 | 25% | 0.251 | C | S | . | . | trans | -70.5 | 178.2 | 167.1 | -145.6 | 0 | 0 | 0 | 0 | 111.9 | A23 N26 R296 G298 | A23-S75 WeakPolarHBondContact CA-OG 3.21Å; A23-S75 WeakPolarHBondContact CB-OG 3.31Å; N26-S75 PolarHBondContact ND2-O 2.51Å; N26-S75 VanDerWaalsContact ND2-O 3.14Å; S75-R296 PolarHBondContact OG-O 2.64Å; S75-R296 VanDerWaalsContact OG-O 3.04Å; S75-G298 WeakPolarHBondContact CB-O 3.31Å; S75-G298 PolarHBondContact OG-O 2.75Å | ||
| 76 | G | 94.1 | Very high | 92.8 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 67.5 | -149.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D21 N26 | D21-G76 WeakPolarHBondContact OD2-CA 3.41Å; N26-G76 PolarHBondContact ND2-O 3.01Å |
| 77 | T | 96.2 | Very high | 93.1 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 16% | 0.16 | 24% | 0.236 | C | C | . | . | trans | -138 | 130.5 | 177.7 | 172.6 | 0 | 0 | 0 | 0 | 110 | T17 N26 I79 G80 | T17-T77 WeakPolarHBondContact CG2-OG1 3.38Å; T17-T77 WeakPolarHBondContact OG1-CB 3.38Å; T17-T77 WeakPolarHBondContact OG1-CG2 3.41Å; T17-T77 PolarHBondContact OG1-OG1 2.85Å; N26-T77 WeakPolarHBondContact OD1-CA 3.24Å; T77-I79 PolarHBondContact O-N 2.78Å; T77-I79 VanDerWaalsContact OG1-CG1 3.24Å; T77-I79 WeakPolarHBondContact OG1-CG1 3.45Å; T77-I79 PolarHBondContact OG1-N 2.83Å; T77-G80 VanDerWaalsContact CG2-C 3.5Å; T77-G80 VanDerWaalsContact CG2-O 3.29Å; T77-G80 WeakPolarHBondContact CG2-O 3.42Å; T77-G80 PolarHBondContact O-N 2.74Å | ||
| 78 | I | 96.3 | Very high | 93.2 | Very high | 74 Ų | 74 | 51.4 Ų | 51.4 | 38% | 0.379 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -14.5 | 177.8 | 55.4 | 141.4 | 0 | 0 | 0 | 113.3 | N26 L29 V71 | N26-I78 WeakPolarHBondContact OD1-CG1 3.45Å; N26-I78 PolarHBondContact OD1-N 2.88Å; L29-I78 HydrophobicContact CD2-CD1 3.89Å; L29-I78 HydrophobicContact CD2-CG1 3.59Å; V71-I78 HydrophobicContact CB-CG2 4.3Å; V71-I78 HydrophobicContact CG1-CD1 3.97Å; V71-I78 HydrophobicContact CG1-CG1 4.39Å; V71-I78 HydrophobicContact CG1-CG2 3.97Å |
| 79 | I | 97.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 10.5 | 179.5 | 62.3 | 168.5 | 0 | 0 | 0 | 112.1 | T17 L29 L45 H47 E48 T77 | T17-I79 HydrophobicContact CG2-CD1 4.35Å; T17-I79 HydrophobicContact CG2-CG1 4.46Å; T17-I79 VanDerWaalsContact OG1-CG1 3.27Å; T17-I79 WeakPolarHBondContact OG1-CG1 3.41Å; L29-I79 HydrophobicContact CD1-CD1 3.81Å; L29-I79 HydrophobicContact CD2-CD1 4.19Å; L29-I79 HydrophobicContact CD2-CG1 4.12Å; L29-I79 HydrophobicContact CD2-CG2 3.87Å; L45-I79 HydrophobicContact CB-CG2 3.96Å; L45-I79 HydrophobicContact CD1-CG2 4.05Å; L45-I79 HydrophobicContact CG-CG2 4.46Å; H47-I79 CarbonylContact C-O 3.53Å; H47-I79 WeakPolarHBondContact CA-O 3.45Å; E48-I79 PolarHBondContact N-O 2.78Å; T77-I79 PolarHBondContact O-N 2.78Å; T77-I79 VanDerWaalsContact OG1-CG1 3.24Å; T77-I79 WeakPolarHBondContact OG1-CG1 3.45Å; T77-I79 PolarHBondContact OG1-N 2.83Å |
| 80 | G | 95.6 | Very high | 93.6 | Very high | 14 Ų | 14 | 56.1 Ų | 56.1 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | trans | 69.3 | 173.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T17 E48 T77 | T17-G80 PolarHBondContact OG1-O 2.99Å; E48-G80 WeakPolarHBondContact OE1-CA 3.44Å; T77-G80 VanDerWaalsContact CG2-C 3.5Å; T77-G80 VanDerWaalsContact CG2-O 3.29Å; T77-G80 WeakPolarHBondContact CG2-O 3.42Å; T77-G80 PolarHBondContact O-N 2.74Å | ||
| 81 | S | 94 | Very high | 94 | Very high | 33 Ų | 33 | 60.7 Ų | 60.7 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | trans | -161.2 | 88.7 | 179.3 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | S18 G19 E48 | S18-S81 VanDerWaalsContact C-OG 3.28Å; S18-S81 VanDerWaalsContact CA-OG 3.29Å; S18-S81 WeakPolarHBondContact CA-OG 3.3Å; G19-S81 PolarHBondContact N-OG 2.63Å; G19-S81 PolarHBondContact O-OG 2.88Å; E48-S81 PolarHBondContact OE2-N 2.79Å | ||
| 82 | A | 91.3 | Very high | 94.1 | Very high | 29 Ų | 29 | 60.5 Ų | 60.5 | 24% | 0.24 | 31% | 0.309 | C | S | . | . | trans | -90.3 | 148.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E48 Q51 C84 | E48-A82 HydrophobicContact CB-CB 3.95Å; E48-A82 PolarHBondContact O-N 3.16Å; Q51-A82 HydrophobicContact CB-CB 3.8Å; Q51-A82 HydrophobicContact CG-CB 4.35Å; A82-C84 PolarHBondContact O-N 2.89Å | ||
| 83 | R | 89 | Confident | 94.2 | Very high | 245 Ų | 245 | 61.8 Ų | 61.8 | 93% | 0.925 | 31% | 0.314 | S | S | * | . | trans | -72.2 | 122.2 | 166.5 | -76.8 | -171.6 | -82.4 | 179.4 | -7 | 109.2 | ||||
| 84 | C | 91.9 | Very high | 94.3 | Very high | 20 Ų | 20 | 62 Ų | 62 | 14% | 0.135 | 32% | 0.315 | C | S | . | . | trans | -106.5 | 104.9 | -179.7 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | Q51 A82 F87 | Q51-C84 HydrophobicContact CB-CB 4.13Å; Q51-C84 PolarHBondContact OE1-SG 3.28Å; A82-C84 PolarHBondContact O-N 2.89Å; C84-F87 HydrophobicContact CB-CB 4.03Å; C84-F87 VanDerWaalsContact SG-CB 3.59Å; C84-F87 PolarHBondContact SG-N 3.01Å | ||
| 85 | K | 92 | Very high | 94.4 | Very high | 187 Ų | 187 | 60.7 Ų | 60.7 | 81% | 0.813 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -71.5 | -36 | 172.6 | -71.1 | -176.2 | 179.7 | 179 | 0 | 111.9 | F87 M88 | K85-F87 VanDerWaalsContact C-N 3.29Å; K85-F87 PolarHBondContact O-N 3.09Å; K85-M88 VanDerWaalsContact O-CB 3.32Å; K85-M88 WeakPolarHBondContact O-CB 3.2Å; K85-M88 PolarHBondContact O-N 3.22Å; K85-M88 VanDerWaalsContact O-N 3.13Å |
| 86 | A | 93.3 | Very high | 94.6 | Very high | 37 Ų | 37 | 59.2 Ų | 59.2 | 31% | 0.306 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -60.8 | -38.9 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | V54 M88 T89 G92 | V54-A86 HydrophobicContact CG1-CB 4.06Å; A86-M88 PolarHBondContact O-N 3.15Å; A86-M88 VanDerWaalsContact O-N 3.1Å; A86-T89 PolarHBondContact O-N 3.08Å; A86-T89 PolarHBondContact O-OG1 3.19Å; A86-G92 WeakPolarHBondContact O-CA 3.43Å |
| 87 | F | 94.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 6% | 0.057 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -64.8 | -15.3 | 179.2 | -159.9 | -97.1 | 0 | 0 | 0 | 114 | Y50 M53 V54 C84 K85 T89 R93 A96 L123 | Y50-F87 AromaticContact CD1-CD1 3.9Å; Y50-F87 HydrophobicContact CD1-CD1 3.9Å; Y50-F87 AromaticContact CD1-CD2 3.78Å; Y50-F87 HydrophobicContact CD1-CD2 3.78Å; Y50-F87 AromaticContact CD1-CE1 3.66Å; Y50-F87 HydrophobicContact CD1-CE1 3.66Å; Y50-F87 AromaticContact CD1-CE2 3.52Å; Y50-F87 HydrophobicContact CD1-CE2 3.52Å; Y50-F87 AromaticContact CD1-CG 3.95Å; Y50-F87 HydrophobicContact CD1-CG 3.95Å; Y50-F87 AromaticContact CD1-CZ 3.46Å; Y50-F87 HydrophobicContact CD1-CZ 3.46Å; Y50-F87 VanDerWaalsContact CD1-CZ 3.46Å; Y50-F87 HydrophobicContact CD2-CD1 4.36Å; Y50-F87 HydrophobicContact CE1-CD1 4.21Å; Y50-F87 AromaticContact CE1-CE1 3.56Å; Y50-F87 HydrophobicContact CE1-CE1 3.56Å; Y50-F87 AromaticContact CE1-CE2 3.93Å; Y50-F87 HydrophobicContact CE1-CE2 3.93Å; Y50-F87 AromaticContact CE1-CZ 3.39Å; Y50-F87 HydrophobicContact CE1-CZ 3.39Å; Y50-F87 HydrophobicContact CE2-CE1 4.47Å; Y50-F87 AromaticContact CG-CD1 3.99Å; Y50-F87 HydrophobicContact CG-CD1 3.99Å; Y50-F87 HydrophobicContact CG-CD2 4.2Å; Y50-F87 HydrophobicContact CG-CE1 4.18Å; Y50-F87 HydrophobicContact CG-CE2 4.37Å; Y50-F87 AromaticContact CG-CG 4Å; Y50-F87 HydrophobicContact CG-CG 4Å; Y50-F87 HydrophobicContact CG-CZ 4.36Å; Y50-F87 AromaticContact CZ-CE1 3.99Å; M53-F87 HydrophobicContact SD-CE2 4.36Å; V54-F87 HydrophobicContact CG2-CB 4.28Å; V54-F87 HydrophobicContact CG2-CD2 3.82Å; C84-F87 HydrophobicContact CB-CB 4.03Å; C84-F87 VanDerWaalsContact SG-CB 3.59Å; C84-F87 PolarHBondContact SG-N 3.01Å; K85-F87 VanDerWaalsContact C-N 3.29Å; K85-F87 PolarHBondContact O-N 3.09Å; F87-T89 VanDerWaalsContact C-N 3.26Å; F87-T89 PolarHBondContact O-N 3.13Å; F87-R93 HydrophobicContact CD1-CG 4.15Å; F87-R93 HydrophobicContact CD2-CG 4.04Å; F87-R93 HydrophobicContact CE1-CG 4.08Å; F87-R93 HydrophobicContact CE2-CG 3.99Å; F87-R93 HydrophobicContact CG-CG 4.13Å; F87-R93 HydrophobicContact CZ-CG 4.01Å; F87-R93 WeakPolarHBondContact O-CG 3.43Å; F87-R93 PolarHBondContact O-NH1 3.13Å; F87-A96 HydrophobicContact CD2-CB 4.09Å; F87-A96 HydrophobicContact CE2-CB 3.74Å; F87-L123 HydrophobicContact CE2-CD1 4.14Å; F87-L123 HydrophobicContact CE2-CD2 4.42Å; F87-L123 HydrophobicContact CZ-CB 4.06Å; F87-L123 HydrophobicContact CZ-CD1 3.85Å; F87-L123 HydrophobicContact CZ-CD2 3.99Å; F87-L123 HydrophobicContact CZ-CG 4.17Å |
| 88 | M | 92.7 | Very high | 94.6 | Very high | 154 Ų | 154 | 58.3 Ų | 58.3 | 76% | 0.759 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -71.7 | -22.4 | 172.9 | -58.6 | -65.7 | -72.9 | 0 | 0 | 112 | K85 A86 R93 | K85-M88 VanDerWaalsContact O-CB 3.32Å; K85-M88 WeakPolarHBondContact O-CB 3.2Å; K85-M88 PolarHBondContact O-N 3.22Å; K85-M88 VanDerWaalsContact O-N 3.13Å; A86-M88 PolarHBondContact O-N 3.15Å; A86-M88 VanDerWaalsContact O-N 3.1Å; M88-R93 VanDerWaalsContact C-NH1 3.35Å; M88-R93 PolarHBondContact O-NH1 3.02Å |
| 89 | T | 95.2 | Very high | 94.6 | Very high | 65 Ų | 65 | 55.6 Ų | 55.6 | 40% | 0.399 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -93 | 156.5 | 177.4 | 88.1 | 0 | 0 | 0 | 0 | 111.5 | A86 F87 E91 G92 R93 | A86-T89 PolarHBondContact O-N 3.08Å; A86-T89 PolarHBondContact O-OG1 3.19Å; F87-T89 VanDerWaalsContact C-N 3.26Å; F87-T89 PolarHBondContact O-N 3.13Å; T89-E91 VanDerWaalsContact C-N 3.28Å; T89-E91 VanDerWaalsContact CB-OE2 3.25Å; T89-E91 WeakPolarHBondContact CB-OE2 3.46Å; T89-E91 PolarHBondContact O-N 3.03Å; T89-E91 PolarHBondContact OG1-N 3.38Å; T89-E91 PolarHBondContact OG1-OE2 2.75Å; T89-G92 PolarHBondContact O-N 3.02Å; T89-G92 PolarHBondContact OG1-N 3.47Å; T89-R93 PolarHBondContact O-N 3.33Å; T89-R93 VanDerWaalsContact O-N 3.16Å; T89-R93 PolarHBondContact O-NH1 2.75Å |
| 90 | V | 95.1 | Very high | 94.6 | Very high | 75 Ų | 75 | 55.6 Ų | 55.6 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 177.6 | 178.4 | 0 | 0 | 0 | 0 | 110 | G92 R93 Q94 | V90-G92 PolarHBondContact O-N 2.96Å; V90-R93 PolarHBondContact O-N 3.48Å; V90-Q94 WeakPolarHBondContact O-CB 3.4Å; V90-Q94 PolarHBondContact O-N 3.31Å |
| 91 | E | 95.1 | Very high | 94.5 | Very high | 133 Ų | 133 | 55 Ų | 55 | 62% | 0.621 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.8 | -40.9 | 179.8 | -57.4 | 77.3 | -167.8 | 0 | 0 | 112 | T89 Q94 K95 | T89-E91 VanDerWaalsContact C-N 3.28Å; T89-E91 VanDerWaalsContact CB-OE2 3.25Å; T89-E91 WeakPolarHBondContact CB-OE2 3.46Å; T89-E91 PolarHBondContact O-N 3.03Å; T89-E91 PolarHBondContact OG1-N 3.38Å; T89-E91 PolarHBondContact OG1-OE2 2.75Å; E91-Q94 PolarHBondContact O-N 3.25Å; E91-K95 PolarHBondContact O-N 3.42Å |
| 92 | G | 96.2 | Very high | 94.4 | Very high | 7 Ų | 7 | 58 Ų | 58 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A86 T89 V90 Q94 K95 A96 | A86-G92 WeakPolarHBondContact O-CA 3.43Å; T89-G92 PolarHBondContact O-N 3.02Å; T89-G92 PolarHBondContact OG1-N 3.47Å; V90-G92 PolarHBondContact O-N 2.96Å; G92-Q94 VanDerWaalsContact C-N 3.32Å; G92-Q94 PolarHBondContact O-N 3.25Å; G92-K95 PolarHBondContact O-N 3.12Å; G92-A96 PolarHBondContact O-N 3.5Å |
| 93 | R | 96.9 | Very high | 94.5 | Very high | 28 Ų | 28 | 58.8 Ų | 58.8 | 11% | 0.106 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 173.8 | -66 | -166.5 | -63.8 | -83.4 | 11.3 | 111.7 | F87 M88 T89 V90 K95 A96 V97 L123 E126 | F87-R93 HydrophobicContact CD1-CG 4.15Å; F87-R93 HydrophobicContact CD2-CG 4.04Å; F87-R93 HydrophobicContact CE1-CG 4.08Å; F87-R93 HydrophobicContact CE2-CG 3.99Å; F87-R93 HydrophobicContact CG-CG 4.13Å; F87-R93 HydrophobicContact CZ-CG 4.01Å; F87-R93 WeakPolarHBondContact O-CG 3.43Å; F87-R93 PolarHBondContact O-NH1 3.13Å; M88-R93 VanDerWaalsContact C-NH1 3.35Å; M88-R93 PolarHBondContact O-NH1 3.02Å; T89-R93 PolarHBondContact O-N 3.33Å; T89-R93 VanDerWaalsContact O-N 3.16Å; T89-R93 PolarHBondContact O-NH1 2.75Å; V90-R93 PolarHBondContact O-N 3.48Å; R93-K95 VanDerWaalsContact C-N 3.33Å; R93-K95 PolarHBondContact O-N 3.23Å; R93-A96 WeakPolarHBondContact O-CB 3.31Å; R93-A96 PolarHBondContact O-N 2.83Å; R93-A96 VanDerWaalsContact O-N 3.16Å; R93-V97 WeakPolarHBondContact O-CG2 3.41Å; R93-V97 PolarHBondContact O-N 3.31Å; R93-L123 HydrophobicContact CB-CD1 4.16Å; R93-E126 IonicContact CZ-OE1 2.75Å; R93-E126 IonicContact CZ-OE2 2.78Å; R93-E126 IonicContact NE-OE1 3.81Å; R93-E126 IonicContact NE-OE2 2.78Å; R93-E126 PolarHBondContact NE-OE2 3.44Å; R93-E126 IonicContact NH2-OE1 3.16Å; R93-E126 PolarHBondContact NH2-OE1 3.45Å; R93-E126 IonicContact NH2-OE2 3.1Å; R93-E126 PolarHBondContact NH2-OE2 3.01Å; R93-E126 VanDerWaalsContact NH2-OE2 3.09Å |
| 94 | Q | 96 | Very high | 94.6 | Very high | 21 Ų | 21 | 48 Ų | 48 | 10% | 0.098 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.5 | -41.1 | 176.7 | -167.1 | 179.8 | -18.6 | 0 | 0 | 111.8 | V90 E91 G92 V97 E98 L134 | V90-Q94 WeakPolarHBondContact O-CB 3.4Å; V90-Q94 PolarHBondContact O-N 3.31Å; E91-Q94 PolarHBondContact O-N 3.25Å; G92-Q94 VanDerWaalsContact C-N 3.32Å; G92-Q94 PolarHBondContact O-N 3.25Å; Q94-V97 PolarHBondContact O-N 3.43Å; Q94-E98 PolarHBondContact O-N 3.37Å; Q94-L134 HydrophobicContact CG-CD1 4.07Å; Q94-L134 HydrophobicContact CG-CD2 3.7Å; Q94-L134 HydrophobicContact CG-CG 3.63Å |
| 95 | K | 96.7 | Very high | 94.7 | Very high | 72 Ų | 72 | 47.1 Ų | 47.1 | 31% | 0.313 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.2 | -38.7 | 174.2 | -165.4 | -179.3 | 176.1 | -150.9 | 0 | 112.2 | V54 E91 G92 R93 E98 N99 | V54-K95 HydrophobicContact CG1-CB 4.44Å; V54-K95 HydrophobicContact CG1-CD 4.04Å; V54-K95 WeakPolarHBondContact O-CD 3.36Å; V54-K95 WeakPolarHBondContact O-CE 3.39Å; V54-K95 WeakPolarHBondContact O-CG 3.23Å; V54-K95 PolarHBondContact O-NZ 2.87Å; V54-K95 VanDerWaalsContact O-NZ 3.15Å; E91-K95 PolarHBondContact O-N 3.42Å; G92-K95 PolarHBondContact O-N 3.12Å; R93-K95 VanDerWaalsContact C-N 3.33Å; R93-K95 PolarHBondContact O-N 3.23Å; K95-E98 WeakPolarHBondContact O-CB 3.27Å; K95-E98 PolarHBondContact O-N 3.16Å; K95-N99 PolarHBondContact O-N 3.17Å; K95-N99 PolarHBondContact O-ND2 2.85Å |
| 96 | A | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.5 | -43.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M53 V54 F87 G92 R93 E98 N99 L100 | M53-A96 HydrophobicContact CB-CB 4.48Å; M53-A96 HydrophobicContact CG-CB 3.85Å; M53-A96 WeakPolarHBondContact O-CA 3.29Å; M53-A96 HydrophobicContact SD-CB 4.04Å; V54-A96 HydrophobicContact CG2-CB 4.07Å; F87-A96 HydrophobicContact CD2-CB 4.09Å; F87-A96 HydrophobicContact CE2-CB 3.74Å; G92-A96 PolarHBondContact O-N 3.5Å; R93-A96 WeakPolarHBondContact O-CB 3.31Å; R93-A96 PolarHBondContact O-N 2.83Å; R93-A96 VanDerWaalsContact O-N 3.16Å; A96-E98 VanDerWaalsContact C-N 3.34Å; A96-E98 PolarHBondContact O-N 3.25Å; A96-N99 PolarHBondContact O-N 2.84Å; A96-L100 WeakPolarHBondContact O-CG 3.42Å; A96-L100 PolarHBondContact O-N 2.88Å |
| 97 | V | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -46.1 | 175.1 | 171.8 | 0 | 0 | 0 | 0 | 111 | R93 Q94 N99 L100 V101 L123 W127 H130 L131 L134 | R93-V97 WeakPolarHBondContact O-CG2 3.41Å; R93-V97 PolarHBondContact O-N 3.31Å; Q94-V97 PolarHBondContact O-N 3.43Å; V97-N99 PolarHBondContact O-N 2.9Å; V97-L100 PolarHBondContact O-N 3.04Å; V97-V101 HydrophobicContact CG1-CG2 4.37Å; V97-V101 VanDerWaalsContact O-CG2 3.28Å; V97-V101 WeakPolarHBondContact O-CG2 3.32Å; V97-V101 PolarHBondContact O-N 2.84Å; V97-L123 HydrophobicContact CG2-CD1 3.8Å; V97-W127 HydrophobicContact CB-CE3 4.32Å; V97-W127 HydrophobicContact CB-CZ3 3.99Å; V97-W127 HydrophobicContact CG1-CD2 4.39Å; V97-W127 HydrophobicContact CG1-CE3 3.94Å; V97-W127 HydrophobicContact CG1-CH2 3.91Å; V97-W127 HydrophobicContact CG1-CZ2 4.34Å; V97-W127 HydrophobicContact CG1-CZ3 3.71Å; V97-W127 HydrophobicContact CG2-CE3 3.63Å; V97-W127 HydrophobicContact CG2-CZ3 3.65Å; V97-H130 HydrophobicContact CB-CB 4.11Å; V97-H130 HydrophobicContact CG1-CB 4.07Å; V97-H130 HydrophobicContact CG2-CB 3.79Å; V97-L131 HydrophobicContact CG1-CD2 3.88Å; V97-L131 HydrophobicContact CG1-CG 4.35Å; V97-L134 HydrophobicContact CB-CD1 4.11Å; V97-L134 HydrophobicContact CG1-CD1 3.78Å |
| 98 | E | 95.5 | Very high | 94.7 | Very high | 17 Ų | 17 | 36.4 Ų | 36.4 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.6 | -48.3 | 176.8 | -177.2 | -173.6 | -166.8 | 0 | 0 | 112.2 | Q94 K95 A96 L100 V101 I102 L134 R139 L140 | Q94-E98 PolarHBondContact O-N 3.37Å; K95-E98 WeakPolarHBondContact O-CB 3.27Å; K95-E98 PolarHBondContact O-N 3.16Å; A96-E98 VanDerWaalsContact C-N 3.34Å; A96-E98 PolarHBondContact O-N 3.25Å; E98-L100 VanDerWaalsContact C-N 3.34Å; E98-L100 PolarHBondContact O-N 3.2Å; E98-V101 PolarHBondContact O-N 3.48Å; E98-I102 HydrophobicContact CG-CD1 3.9Å; E98-I102 VanDerWaalsContact O-CG1 3.29Å; E98-I102 WeakPolarHBondContact O-CG1 3.27Å; E98-I102 PolarHBondContact O-N 2.82Å; E98-L134 HydrophobicContact CB-CD1 3.92Å; E98-L134 HydrophobicContact CB-CD2 3.95Å; E98-L134 HydrophobicContact CG-CD2 4.29Å; E98-R139 VanDerWaalsContact CD-NE 3.3Å; E98-R139 IonicContact OE1-CZ 2.97Å; E98-R139 IonicContact OE1-NE 3.52Å; E98-R139 PolarHBondContact OE1-NE 2.94Å; E98-R139 IonicContact OE1-NH2 2.57Å; E98-R139 PolarHBondContact OE1-NH2 2.69Å; E98-R139 IonicContact OE2-CZ 3.43Å; E98-R139 IonicContact OE2-NE 2.64Å; E98-R139 PolarHBondContact OE2-NE 2.96Å; E98-R139 IonicContact OE2-NH1 2.75Å; E98-R139 PolarHBondContact OE2-NH1 3.41Å; E98-R139 IonicContact OE2-NH2 3.06Å; E98-R139 PolarHBondContact OE2-NH2 2.94Å; E98-L140 HydrophobicContact CG-CD2 4.28Å; E98-L140 HydrophobicContact CG-CG 4.49Å |
| 99 | N | 96.5 | Very high | 95 | Very high | 17 Ų | 17 | 29.1 Ų | 29.1 | 9% | 0.091 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | 179 | -69.4 | -28.3 | 0 | 0 | 0 | 112.4 | M53 V54 G56 F60 K95 A96 V97 I102 H103 | M53-N99 PolarHBondContact O-ND2 3.3Å; V54-N99 PolarHBondContact O-ND2 2.8Å; G56-N99 VanDerWaalsContact CA-ND2 3.32Å; G56-N99 WeakPolarHBondContact CA-ND2 3.45Å; G56-N99 PolarHBondContact N-ND2 2.9Å; F60-N99 HydrophobicContact CE2-CB 4.04Å; F60-N99 HydrophobicContact CZ-CB 4.07Å; K95-N99 PolarHBondContact O-N 3.17Å; K95-N99 PolarHBondContact O-ND2 2.85Å; A96-N99 PolarHBondContact O-N 2.84Å; V97-N99 PolarHBondContact O-N 2.9Å; N99-I102 PolarHBondContact O-N 3.5Å; N99-H103 PolarHBondContact O-N 2.7Å; N99-H103 PolarHBondContact O-ND1 3.32Å |
| 100 | L | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 175.2 | -71.6 | 166.5 | 0 | 0 | 0 | 111.3 | I46 M53 F60 A96 V97 E98 H103 G104 I105 L108 L123 W127 | I46-L100 HydrophobicContact CD1-CD2 4.04Å; M53-L100 HydrophobicContact CG-CD1 4.44Å; M53-L100 HydrophobicContact CG-CG 4.34Å; M53-L100 HydrophobicContact SD-CD1 3.97Å; M53-L100 HydrophobicContact SD-CG 4.46Å; F60-L100 HydrophobicContact CE1-CD2 4.03Å; F60-L100 HydrophobicContact CZ-CD2 4.36Å; A96-L100 WeakPolarHBondContact O-CG 3.42Å; A96-L100 PolarHBondContact O-N 2.88Å; V97-L100 PolarHBondContact O-N 3.04Å; E98-L100 VanDerWaalsContact C-N 3.34Å; E98-L100 PolarHBondContact O-N 3.2Å; L100-H103 PolarHBondContact O-N 3Å; L100-G104 PolarHBondContact O-N 3.02Å; L100-I105 HydrophobicContact CD2-CB 4.07Å; L100-I105 HydrophobicContact CD2-CD1 4.2Å; L100-I105 HydrophobicContact CD2-CG2 3.84Å; L100-I105 PolarHBondContact O-N 3.05Å; L100-L108 HydrophobicContact CD1-CD2 4.47Å; L100-L108 HydrophobicContact CD2-CD1 4.11Å; L100-L123 HydrophobicContact CD1-CD2 4.38Å; L100-W127 HydrophobicContact CB-CH2 4.09Å; L100-W127 HydrophobicContact CD1-CH2 4.24Å; L100-W127 HydrophobicContact CD1-CZ3 3.87Å |
| 101 | V | 93.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.018 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.6 | -38.6 | 179.4 | 171.1 | 0 | 0 | 0 | 0 | 111.9 | V97 E98 H103 G104 W127 L131 L140 Q144 V145 L148 | V97-V101 HydrophobicContact CG1-CG2 4.37Å; V97-V101 VanDerWaalsContact O-CG2 3.28Å; V97-V101 WeakPolarHBondContact O-CG2 3.32Å; V97-V101 PolarHBondContact O-N 2.84Å; E98-V101 PolarHBondContact O-N 3.48Å; V101-H103 VanDerWaalsContact C-N 3.28Å; V101-H103 PolarHBondContact O-N 2.82Å; V101-G104 PolarHBondContact O-N 2.98Å; V101-W127 HydrophobicContact CG2-CH2 4.11Å; V101-W127 HydrophobicContact CG2-CZ2 4.02Å; V101-L131 HydrophobicContact CG2-CD2 3.77Å; V101-L140 HydrophobicContact CB-CD1 3.98Å; V101-L140 HydrophobicContact CB-CD2 4.12Å; V101-L140 HydrophobicContact CG1-CD1 3.76Å; V101-L140 HydrophobicContact CG1-CD2 3.6Å; V101-L140 HydrophobicContact CG1-CG 4.29Å; V101-L140 HydrophobicContact CG2-CD1 4.1Å; V101-Q144 HydrophobicContact CG1-CG 4.16Å; V101-Q144 PolarHBondContact O-NE2 3.1Å; V101-Q144 VanDerWaalsContact O-NE2 3.08Å; V101-V145 HydrophobicContact CG1-CG2 4.45Å; V101-L148 HydrophobicContact CB-CD1 4.41Å; V101-L148 HydrophobicContact CG1-CD1 3.66Å; V101-L148 WeakPolarHBondContact O-CD1 3.32Å |
| 102 | I | 92.4 | Very high | 95.3 | Very high | 95 Ų | 95 | 16.1 Ų | 16.1 | 49% | 0.487 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -59.7 | -39.2 | 176 | -72.5 | 167 | 0 | 0 | 0 | 111.2 | E98 N99 G104 L140 | E98-I102 HydrophobicContact CG-CD1 3.9Å; E98-I102 VanDerWaalsContact O-CG1 3.29Å; E98-I102 WeakPolarHBondContact O-CG1 3.27Å; E98-I102 PolarHBondContact O-N 2.82Å; N99-I102 PolarHBondContact O-N 3.5Å; I102-G104 VanDerWaalsContact C-N 3.26Å; I102-G104 PolarHBondContact O-N 3.14Å; I102-L140 HydrophobicContact CG1-CD2 4.5Å |
| 103 | H | 92.8 | Very high | 95.2 | Very high | 45 Ų | 45 | 16.1 Ų | 16.1 | 21% | 0.208 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 0.4 | 176.4 | -65.7 | 85.3 | 0 | 0 | 0 | 113.5 | F44 F60 N99 L100 V101 I105 | F44-H103 AromaticContact CE1-CD2 3.94Å; F60-H103 WeakPolarHBondContact CB-NE2 3.34Å; F60-H103 HydrophobicContact CD1-CB 4.42Å; F60-H103 AromaticContact CD1-CG 3.92Å; F60-H103 AromaticContact CD1-ND1 3.85Å; F60-H103 AromaticContact CD2-CE1 3.94Å; F60-H103 AromaticContact CG-CE1 3.69Å; F60-H103 AromaticContact CG-ND1 3.86Å; F60-H103 AromaticContact CG-NE2 3.9Å; N99-H103 PolarHBondContact O-N 2.7Å; N99-H103 PolarHBondContact O-ND1 3.32Å; L100-H103 PolarHBondContact O-N 3Å; V101-H103 VanDerWaalsContact C-N 3.28Å; V101-H103 PolarHBondContact O-N 2.82Å; H103-I105 HydrophobicContact CB-CD1 3.76Å; H103-I105 HydrophobicContact CB-CG1 3.94Å; H103-I105 PolarHBondContact O-N 3.46Å |
| 104 | G | 92.3 | Very high | 95 | Very high | 19 Ų | 19 | 15.3 Ų | 15.3 | 20% | 0.196 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 21.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | S12 L100 V101 I102 L148 | S12-G104 WeakPolarHBondContact CB-O 3.46Å; L100-G104 PolarHBondContact O-N 3.02Å; V101-G104 PolarHBondContact O-N 2.98Å; I102-G104 VanDerWaalsContact C-N 3.26Å; I102-G104 PolarHBondContact O-N 3.14Å; G104-L148 VanDerWaalsContact C-CD2 3.49Å; G104-L148 VanDerWaalsContact O-CD2 3.29Å; G104-L148 WeakPolarHBondContact O-CD2 3.4Å |
| 105 | I | 94 | Very high | 94.7 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 122.4 | -176.6 | -64.5 | 166.9 | 0 | 0 | 0 | 109.8 | F44 F60 L100 H103 D107 | F44-I105 HydrophobicContact CB-CD1 3.8Å; F44-I105 HydrophobicContact CD2-CD1 4Å; F44-I105 HydrophobicContact CD2-CG1 3.99Å; F44-I105 HydrophobicContact CG-CD1 3.94Å; F44-I105 HydrophobicContact CG-CG1 4.44Å; F60-I105 HydrophobicContact CD1-CD1 3.72Å; F60-I105 HydrophobicContact CE1-CD1 3.7Å; L100-I105 HydrophobicContact CD2-CB 4.07Å; L100-I105 HydrophobicContact CD2-CD1 4.2Å; L100-I105 HydrophobicContact CD2-CG2 3.84Å; L100-I105 PolarHBondContact O-N 3.05Å; H103-I105 HydrophobicContact CB-CD1 3.76Å; H103-I105 HydrophobicContact CB-CG1 3.94Å; H103-I105 PolarHBondContact O-N 3.46Å; I105-D107 WeakPolarHBondContact CG2-O 3.36Å |
| 106 | T | 89.2 | Confident | 94.7 | Very high | 13 Ų | 13 | 13.4 Ų | 13.4 | 8% | 0.08 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | -14.4 | 179.8 | 61.9 | 0 | 0 | 0 | 0 | 112.4 | S12 L148 R152 | S12-T106 PolarHBondContact O-N 3.39Å; T106-L148 HydrophobicContact CG2-CB 3.85Å; T106-L148 HydrophobicContact CG2-CD2 3.5Å; T106-L148 VanDerWaalsContact CG2-CD2 3.5Å; T106-L148 HydrophobicContact CG2-CG 4.31Å; T106-L148 WeakPolarHBondContact CG2-O 3.42Å; T106-R152 PolarHBondContact O-N 3.48Å; T106-R152 PolarHBondContact OG1-NH2 3.02Å |
| 107 | D | 94.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 122.5 | 175.3 | -80.7 | -40.8 | 0 | 0 | 0 | 108 | M13 G14 Y41 I105 R152 L319 | M13-D107 CarbonylContact C-O 3.56Å; M13-D107 VanDerWaalsContact CA-O 3.22Å; M13-D107 WeakPolarHBondContact CA-O 3.46Å; M13-D107 HydrophobicContact CB-CB 4.11Å; M13-D107 HydrophobicContact CE-CB 4.42Å; M13-D107 HydrophobicContact CG-CB 4.15Å; G14-D107 PolarHBondContact N-O 2.94Å; Y41-D107 HydrophobicContact CE1-CB 4.2Å; Y41-D107 WeakPolarHBondContact CE1-OD2 3.47Å; Y41-D107 PolarHBondContact OH-OD2 3.35Å; I105-D107 WeakPolarHBondContact CG2-O 3.36Å; D107-R152 VanDerWaalsContact OD1-CB 3.28Å; D107-R152 WeakPolarHBondContact OD1-CB 3.46Å; D107-R152 IonicContact OD1-CZ 2.84Å; D107-R152 IonicContact OD1-NE 3.23Å; D107-R152 PolarHBondContact OD1-NE 3.44Å; D107-R152 VanDerWaalsContact OD1-NE 3.12Å; D107-R152 IonicContact OD1-NH1 2.87Å; D107-R152 PolarHBondContact OD1-NH1 2.91Å; D107-R152 IonicContact OD1-NH2 3.34Å; D107-R152 PolarHBondContact OD1-NH2 3.03Å; D107-R152 IonicContact OD2-CZ 3.5Å; D107-R152 IonicContact OD2-NH1 3.42Å; D107-R152 PolarHBondContact OD2-NH1 3.43Å; D107-R152 VanDerWaalsContact OD2-NH1 3.14Å; D107-R152 IonicContact OD2-NH2 2.82Å; D107-R152 PolarHBondContact OD2-NH2 3.15Å; D107-L319 HydrophobicContact CB-CD1 4.15Å; D107-L319 HydrophobicContact CB-CD2 4.33Å |
| 108 | L | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 125.5 | -175.5 | -168.4 | 68.2 | 0 | 0 | 0 | 111.4 | G14 F16 I46 M53 L100 L120 L151 R152 I153 V154 | G14-L108 WeakPolarHBondContact O-CA 3.37Å; F16-L108 HydrophobicContact CD1-CD1 3.91Å; F16-L108 HydrophobicContact CD1-CD2 4.49Å; F16-L108 HydrophobicContact CD1-CG 4.15Å; F16-L108 HydrophobicContact CE1-CD1 4.03Å; F16-L108 HydrophobicContact CE1-CD2 3.8Å; F16-L108 HydrophobicContact CE1-CG 3.78Å; I46-L108 HydrophobicContact CD1-CD1 3.82Å; M53-L108 HydrophobicContact CE-CD1 4.28Å; M53-L108 HydrophobicContact CE-CD2 4.02Å; L100-L108 HydrophobicContact CD1-CD2 4.47Å; L100-L108 HydrophobicContact CD2-CD1 4.11Å; L108-L120 HydrophobicContact CD2-CD1 3.67Å; L108-L120 HydrophobicContact CG-CD1 4.33Å; L108-L151 HydrophobicContact CB-CD1 4.11Å; L108-R152 PolarHBondContact N-O 3.46Å; L108-I153 HydrophobicContact CB-CG2 4.38Å; L108-I153 CarbonylContact O-C 3.53Å; L108-I153 VanDerWaalsContact O-CA 3.31Å; L108-I153 WeakPolarHBondContact O-CA 3.28Å; L108-V154 PolarHBondContact O-N 2.9Å |
| 109 | V | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 119.5 | 174 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | M13 G14 V15 F16 V32 V154 L156 A315 L319 | M13-V109 HydrophobicContact SD-CG2 3.97Å; G14-V109 PolarHBondContact O-N 3.47Å; V15-V109 WeakPolarHBondContact CA-O 3.33Å; V15-V109 HydrophobicContact CB-CB 4.37Å; V15-V109 HydrophobicContact CG2-CB 4.16Å; V15-V109 HydrophobicContact CG2-CG1 4.36Å; F16-V109 WeakPolarHBondContact CD1-O 3.49Å; F16-V109 PolarHBondContact N-O 2.88Å; F16-V109 VanDerWaalsContact N-O 3.12Å; V32-V109 HydrophobicContact CG1-CB 4.17Å; V32-V109 HydrophobicContact CG1-CG1 4.4Å; V32-V109 HydrophobicContact CG1-CG2 3.94Å; V32-V109 HydrophobicContact CG2-CG1 3.94Å; V109-V154 WeakPolarHBondContact CA-O 3.29Å; V109-L156 HydrophobicContact CG1-CD1 4.15Å; V109-L156 HydrophobicContact CG1-CG 4.25Å; V109-A315 HydrophobicContact CG1-CB 4.27Å; V109-A315 HydrophobicContact CG2-CB 4.5Å; V109-L319 HydrophobicContact CG2-CD1 3.46Å; V109-L319 VanDerWaalsContact CG2-CD1 3.46Å |
| 110 | C | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127 | 174.2 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | F16 L117 L120 V154 L156 | F16-C110 HydrophobicContact CD1-CB 4.42Å; F16-C110 HydrophobicContact CE1-CB 3.6Å; F16-C110 HydrophobicContact CE2-CB 4.37Å; F16-C110 HydrophobicContact CZ-CB 3.58Å; F16-C110 WeakPolarHBondContact CZ-SG 3.34Å; C110-L117 HydrophobicContact CB-CD2 4.08Å; C110-L120 HydrophobicContact CB-CD1 4.1Å; C110-L120 HydrophobicContact CB-CD2 3.46Å; C110-L120 VanDerWaalsContact CB-CD2 3.46Å; C110-L120 HydrophobicContact CB-CG 4.23Å; C110-V154 PolarHBondContact N-O 2.8Å; C110-L156 PolarHBondContact O-N 3.25Å |
| 111 | I | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 108.2 | 171 | -54.1 | 167.2 | 0 | 0 | 0 | 107.8 | V15 F16 T17 S18 M25 A28 L29 L156 | V15-I111 HydrophobicContact CG2-CD1 3.95Å; V15-I111 HydrophobicContact CG2-CG1 4.49Å; F16-I111 PolarHBondContact O-N 3.41Å; T17-I111 CarbonylContact C-O 3.47Å; T17-I111 VanDerWaalsContact CA-O 3.24Å; T17-I111 WeakPolarHBondContact CA-O 3.36Å; T17-I111 HydrophobicContact CG2-CB 3.88Å; T17-I111 HydrophobicContact CG2-CD1 4.34Å; T17-I111 HydrophobicContact CG2-CG2 4.19Å; S18-I111 PolarHBondContact N-O 3.46Å; M25-I111 HydrophobicContact CB-CG2 4.24Å; M25-I111 HydrophobicContact CG-CG2 3.83Å; A28-I111 HydrophobicContact CB-CD1 3.75Å; A28-I111 HydrophobicContact CB-CG1 4.33Å; A28-I111 HydrophobicContact CB-CG2 4.4Å; L29-I111 HydrophobicContact CB-CD1 4.18Å; I111-L156 WeakPolarHBondContact CA-O 3.36Å; I111-L156 HydrophobicContact CG1-CB 4.15Å; I111-L156 HydrophobicContact CG1-CD1 4.04Å; I111-L156 HydrophobicContact CG1-CG 4.5Å; I111-L156 HydrophobicContact CG2-CB 4.5Å |
| 112 | G | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.5 | -175.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S18 L156 V157 G158 | S18-G112 WeakPolarHBondContact O-CA 3.26Å; G112-L156 PolarHBondContact N-O 2.88Å; G112-V157 CarbonylContact O-C 3.6Å; G112-V157 WeakPolarHBondContact O-CA 3.36Å; G112-G158 CarbonylContact C-O 3.6Å; G112-G158 VanDerWaalsContact C-O 3.29Å; G112-G158 PolarHBondContact O-N 2.94Å |
| 113 | G | 94.1 | Very high | 94 | Very high | 8 Ų | 8 | 13.2 Ų | 13.2 | 8% | 0.082 | 9% | 0.091 | C | C | . | . | trans | -79.2 | -174.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G115 S116 L117 G158 | G113-G115 VanDerWaalsContact C-N 3.34Å; G113-G115 PolarHBondContact O-N 3.29Å; G113-S116 PolarHBondContact O-N 3.35Å; G113-L117 PolarHBondContact O-N 2.69Å; G113-L117 VanDerWaalsContact O-N 3.08Å; G113-G158 PolarHBondContact N-O 2.78Å | ||
| 114 | D | 91 | Very high | 94 | Very high | 10 Ų | 10 | 13.6 Ų | 13.6 | 5% | 0.053 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -52.2 | -47 | 178.7 | 71 | -48.3 | 0 | 0 | 0 | 113.4 | S116 L117 T118 F164 R205 T353 K357 | D114-S116 PolarHBondContact O-N 3.06Å; D114-L117 PolarHBondContact O-N 3.24Å; D114-T118 WeakPolarHBondContact O-CB 3.48Å; D114-T118 PolarHBondContact O-N 3.01Å; D114-T118 PolarHBondContact O-OG1 3.09Å; D114-F164 HydrophobicContact CB-CD2 4Å; D114-R205 IonicContact OD1-NH1 3.52Å; D114-R205 PolarHBondContact OD1-NH1 2.91Å; D114-T353 HydrophobicContact CB-CG2 4.26Å; D114-K357 IonicContact OD2-NZ 3.38Å; D114-K357 PolarHBondContact OD2-NZ 3.45Å |
| 115 | G | 91.1 | Very high | 93.9 | Very high | 45 Ų | 45 | 18.6 Ų | 18.6 | 46% | 0.464 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -64.4 | -39 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | G113 T118 G119 | G113-G115 VanDerWaalsContact C-N 3.34Å; G113-G115 PolarHBondContact O-N 3.29Å; G115-T118 PolarHBondContact O-N 3.46Å; G115-G119 PolarHBondContact O-N 2.69Å |
| 116 | S | 95.1 | Very high | 93.8 | Very high | 8 Ų | 8 | 21.4 Ų | 21.4 | 6% | 0.056 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.3 | -44.9 | 178.3 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | S18 G19 Y50 G113 D114 T118 G119 L120 | S18-S116 VanDerWaalsContact CB-OG 3.23Å; S18-S116 WeakPolarHBondContact CB-OG 3.47Å; S18-S116 PolarHBondContact O-OG 3Å; S18-S116 PolarHBondContact OG-OG 3.46Å; G19-S116 PolarHBondContact N-OG 3.24Å; Y50-S116 PolarHBondContact OH-O 3.07Å; G113-S116 PolarHBondContact O-N 3.35Å; D114-S116 PolarHBondContact O-N 3.06Å; S116-T118 VanDerWaalsContact C-N 3.3Å; S116-T118 PolarHBondContact O-N 3.02Å; S116-G119 PolarHBondContact O-N 3.3Å; S116-L120 PolarHBondContact O-N 3.4Å |
| 117 | L | 95 | Very high | 94 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.6 | -32.9 | 177.4 | -66.3 | -174.8 | 0 | 0 | 0 | 112.7 | C110 G113 D114 L120 N121 G155 V157 F164 V333 L346 | C110-L117 HydrophobicContact CB-CD2 4.08Å; G113-L117 PolarHBondContact O-N 2.69Å; G113-L117 VanDerWaalsContact O-N 3.08Å; D114-L117 PolarHBondContact O-N 3.24Å; L117-L120 HydrophobicContact CD2-CD2 4.41Å; L117-L120 PolarHBondContact O-N 2.84Å; L117-N121 PolarHBondContact O-N 2.81Å; L117-G155 VanDerWaalsContact CD2-CA 3.48Å; L117-V157 HydrophobicContact CD1-CB 4.35Å; L117-V157 HydrophobicContact CD1-CG1 4.46Å; L117-V157 HydrophobicContact CD1-CG2 3.69Å; L117-F164 HydrophobicContact CB-CE2 4.29Å; L117-F164 HydrophobicContact CD1-CD2 4.43Å; L117-F164 HydrophobicContact CD1-CE1 4.42Å; L117-F164 HydrophobicContact CD1-CE2 3.9Å; L117-F164 HydrophobicContact CD1-CZ 3.89Å; L117-V333 HydrophobicContact CD1-CG2 4.16Å; L117-L346 HydrophobicContact CB-CD1 3.83Å; L117-L346 HydrophobicContact CD1-CD1 4.41Å |
| 118 | T | 92.1 | Very high | 93.8 | Very high | 39 Ų | 39 | 24.9 Ų | 24.9 | 24% | 0.239 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.1 | -47.9 | 170.8 | -55.3 | 0 | 0 | 0 | 0 | 110.9 | D114 G115 S116 L120 N121 I122 V350 | D114-T118 WeakPolarHBondContact O-CB 3.48Å; D114-T118 PolarHBondContact O-N 3.01Å; D114-T118 PolarHBondContact O-OG1 3.09Å; G115-T118 PolarHBondContact O-N 3.46Å; S116-T118 VanDerWaalsContact C-N 3.3Å; S116-T118 PolarHBondContact O-N 3.02Å; T118-L120 VanDerWaalsContact C-N 3.3Å; T118-L120 PolarHBondContact O-N 3.01Å; T118-N121 PolarHBondContact O-N 2.88Å; T118-I122 HydrophobicContact CG2-CD1 4.18Å; T118-I122 WeakPolarHBondContact O-CG1 3.3Å; T118-I122 PolarHBondContact O-N 3.44Å; T118-I122 VanDerWaalsContact O-N 3.08Å; T118-V350 HydrophobicContact CG2-CG1 4.05Å |
| 119 | G | 93.8 | Very high | 93.6 | Very high | 15 Ų | 15 | 27.2 Ų | 27.2 | 16% | 0.155 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.7 | -37.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G115 S116 I122 L123 | G115-G119 PolarHBondContact O-N 2.69Å; S116-G119 PolarHBondContact O-N 3.3Å; G119-I122 PolarHBondContact O-N 2.86Å; G119-L123 PolarHBondContact O-N 3.28Å |
| 120 | L | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 175.4 | -173.1 | 72.8 | 0 | 0 | 0 | 111.7 | F16 Y50 L108 C110 S116 L117 T118 L123 R124 I153 L346 | F16-L120 HydrophobicContact CE1-CD1 4.08Å; F16-L120 HydrophobicContact CZ-CD1 4.07Å; Y50-L120 WeakPolarHBondContact OH-CA 3.26Å; Y50-L120 PolarHBondContact OH-N 3.15Å; L108-L120 HydrophobicContact CD2-CD1 3.67Å; L108-L120 HydrophobicContact CG-CD1 4.33Å; C110-L120 HydrophobicContact CB-CD1 4.1Å; C110-L120 HydrophobicContact CB-CD2 3.46Å; C110-L120 VanDerWaalsContact CB-CD2 3.46Å; C110-L120 HydrophobicContact CB-CG 4.23Å; S116-L120 PolarHBondContact O-N 3.4Å; L117-L120 HydrophobicContact CD2-CD2 4.41Å; L117-L120 PolarHBondContact O-N 2.84Å; T118-L120 VanDerWaalsContact C-N 3.3Å; T118-L120 PolarHBondContact O-N 3.01Å; L120-L123 PolarHBondContact O-N 2.96Å; L120-R124 PolarHBondContact O-N 3.45Å; L120-R124 VanDerWaalsContact O-N 3.11Å; L120-I153 HydrophobicContact CD1-CB 4.32Å; L120-I153 HydrophobicContact CD1-CG2 4.06Å; L120-I153 HydrophobicContact CD2-CB 3.93Å; L120-I153 HydrophobicContact CD2-CD1 3.97Å; L120-I153 HydrophobicContact CD2-CG1 4.28Å; L120-I153 HydrophobicContact CG-CB 4.06Å; L120-I153 HydrophobicContact CG-CD1 3.76Å; L120-I153 HydrophobicContact CG-CG1 4.41Å; L120-I153 HydrophobicContact CG-CG2 4.17Å; L120-L346 HydrophobicContact CD2-CD2 4.33Å |
| 121 | N | 91.7 | Very high | 93.1 | Very high | 11 Ų | 11 | 28.5 Ų | 28.5 | 6% | 0.059 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 178.2 | -169.2 | 45.2 | 0 | 0 | 0 | 111.5 | L117 T118 R124 Q125 L346 | L117-N121 PolarHBondContact O-N 2.81Å; T118-N121 PolarHBondContact O-N 2.88Å; N121-R124 PolarHBondContact O-N 3.44Å; N121-Q125 PolarHBondContact ND2-NE2 2.82Å; N121-Q125 WeakPolarHBondContact O-CG 3.33Å; N121-Q125 PolarHBondContact O-N 2.96Å; N121-L346 HydrophobicContact CB-CD2 4.04Å; N121-L346 HydrophobicContact CB-CG 4.36Å |
| 122 | I | 92.9 | Very high | 92.9 | Very high | 63 Ų | 63 | 35.2 Ų | 35.2 | 32% | 0.323 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.5 | -46.7 | 175.9 | -66 | 166.8 | 0 | 0 | 0 | 110.6 | T118 G119 R124 Q125 E126 | T118-I122 HydrophobicContact CG2-CD1 4.18Å; T118-I122 WeakPolarHBondContact O-CG1 3.3Å; T118-I122 PolarHBondContact O-N 3.44Å; T118-I122 VanDerWaalsContact O-N 3.08Å; G119-I122 PolarHBondContact O-N 2.86Å; I122-R124 VanDerWaalsContact C-N 3.29Å; I122-R124 PolarHBondContact O-N 3.11Å; I122-Q125 PolarHBondContact O-N 2.64Å; I122-E126 HydrophobicContact CG2-CG 4.28Å; I122-E126 WeakPolarHBondContact O-CG 3.32Å; I122-E126 PolarHBondContact O-N 3.04Å |
| 123 | L | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.2 | -42.7 | 178.8 | -176.2 | 70 | 0 | 0 | 0 | 111.9 | M53 F87 R93 V97 L100 G119 L120 E126 W127 L151 | M53-L123 HydrophobicContact SD-CD2 4.32Å; F87-L123 HydrophobicContact CE2-CD1 4.14Å; F87-L123 HydrophobicContact CE2-CD2 4.42Å; F87-L123 HydrophobicContact CZ-CB 4.06Å; F87-L123 HydrophobicContact CZ-CD1 3.85Å; F87-L123 HydrophobicContact CZ-CD2 3.99Å; F87-L123 HydrophobicContact CZ-CG 4.17Å; R93-L123 HydrophobicContact CB-CD1 4.16Å; V97-L123 HydrophobicContact CG2-CD1 3.8Å; L100-L123 HydrophobicContact CD1-CD2 4.38Å; G119-L123 PolarHBondContact O-N 3.28Å; L120-L123 PolarHBondContact O-N 2.96Å; L123-E126 PolarHBondContact O-N 2.86Å; L123-W127 PolarHBondContact O-N 3.37Å; L123-L151 HydrophobicContact CD2-CD2 4.34Å; L123-L151 HydrophobicContact CG-CD2 4.46Å |
| 124 | R | 91.3 | Very high | 92.7 | Very high | 54 Ų | 54 | 39.2 Ų | 39.2 | 20% | 0.204 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.2 | -44.9 | 176.8 | 174.3 | 174.2 | 171.7 | -91.7 | 6 | 112.1 | L120 N121 I122 E126 W127 L151 I153 N329 P331 | L120-R124 PolarHBondContact O-N 3.45Å; L120-R124 VanDerWaalsContact O-N 3.11Å; N121-R124 PolarHBondContact O-N 3.44Å; I122-R124 VanDerWaalsContact C-N 3.29Å; I122-R124 PolarHBondContact O-N 3.11Å; R124-E126 VanDerWaalsContact C-N 3.28Å; R124-E126 PolarHBondContact O-N 2.74Å; R124-W127 VanDerWaalsContact O-CB 3.22Å; R124-W127 WeakPolarHBondContact O-CB 3.42Å; R124-W127 PolarHBondContact O-N 3.08Å; R124-L151 HydrophobicContact CB-CD2 4.35Å; R124-I153 HydrophobicContact CB-CD1 3.76Å; R124-I153 HydrophobicContact CB-CG1 4.5Å; R124-I153 HydrophobicContact CB-CG2 4.28Å; R124-I153 HydrophobicContact CG-CD1 4.29Å; R124-N329 PolarHBondContact NH2-O 3.22Å; R124-P331 VanDerWaalsContact NH1-CG 3.28Å |
| 125 | Q | 90 | Very high | 92.8 | Very high | 123 Ų | 123 | 41.2 Ų | 41.2 | 58% | 0.575 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -61.6 | -38.5 | 178.9 | -71.7 | 174.5 | -10.5 | 0 | 0 | 111.9 | N121 I122 | N121-Q125 PolarHBondContact ND2-NE2 2.82Å; N121-Q125 WeakPolarHBondContact O-CG 3.33Å; N121-Q125 PolarHBondContact O-N 2.96Å; I122-Q125 PolarHBondContact O-N 2.64Å |
| 126 | E | 93.1 | Very high | 92.9 | Very high | 61 Ų | 61 | 44.1 Ų | 44.1 | 29% | 0.285 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -85.1 | -5.2 | 179.9 | -63.2 | -179 | 174 | 0 | 0 | 113.8 | R93 I122 L123 R124 A128 G129 H130 | R93-E126 IonicContact CZ-OE1 2.75Å; R93-E126 IonicContact CZ-OE2 2.78Å; R93-E126 IonicContact NE-OE1 3.81Å; R93-E126 IonicContact NE-OE2 2.78Å; R93-E126 PolarHBondContact NE-OE2 3.44Å; R93-E126 IonicContact NH2-OE1 3.16Å; R93-E126 PolarHBondContact NH2-OE1 3.45Å; R93-E126 IonicContact NH2-OE2 3.1Å; R93-E126 PolarHBondContact NH2-OE2 3.01Å; R93-E126 VanDerWaalsContact NH2-OE2 3.09Å; I122-E126 HydrophobicContact CG2-CG 4.28Å; I122-E126 WeakPolarHBondContact O-CG 3.32Å; I122-E126 PolarHBondContact O-N 3.04Å; L123-E126 PolarHBondContact O-N 2.86Å; R124-E126 VanDerWaalsContact C-N 3.28Å; R124-E126 PolarHBondContact O-N 2.74Å; E126-A128 PolarHBondContact O-N 3.18Å; E126-G129 WeakPolarHBondContact O-CA 2.88Å; E126-G129 PolarHBondContact O-N 3.23Å; E126-H130 WeakPolarHBondContact CB-NE2 3.28Å; E126-H130 PolarHBondContact O-CD2 3.18Å; E126-H130 PolarHBondContact O-N 2.97Å; E126-H130 IonicContact OE2-CD2 3.14Å; E126-H130 IonicContact OE2-CE1 3.42Å; E126-H130 IonicContact OE2-NE2 2.72Å; E126-H130 PolarHBondContact OE2-NE2 3.38Å |
| 127 | W | 92.1 | Very high | 92.9 | Very high | 13 Ų | 13 | 48.1 Ų | 48.1 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -52.1 | -52 | -169.6 | -178.1 | -103 | 0 | 0 | 0 | 113.4 | V97 L100 V101 L123 R124 G129 H130 L131 L151 | V97-W127 HydrophobicContact CB-CE3 4.32Å; V97-W127 HydrophobicContact CB-CZ3 3.99Å; V97-W127 HydrophobicContact CG1-CD2 4.39Å; V97-W127 HydrophobicContact CG1-CE3 3.94Å; V97-W127 HydrophobicContact CG1-CH2 3.91Å; V97-W127 HydrophobicContact CG1-CZ2 4.34Å; V97-W127 HydrophobicContact CG1-CZ3 3.71Å; V97-W127 HydrophobicContact CG2-CE3 3.63Å; V97-W127 HydrophobicContact CG2-CZ3 3.65Å; L100-W127 HydrophobicContact CB-CH2 4.09Å; L100-W127 HydrophobicContact CD1-CH2 4.24Å; L100-W127 HydrophobicContact CD1-CZ3 3.87Å; V101-W127 HydrophobicContact CG2-CH2 4.11Å; V101-W127 HydrophobicContact CG2-CZ2 4.02Å; L123-W127 PolarHBondContact O-N 3.37Å; R124-W127 VanDerWaalsContact O-CB 3.22Å; R124-W127 WeakPolarHBondContact O-CB 3.42Å; R124-W127 PolarHBondContact O-N 3.08Å; W127-G129 VanDerWaalsContact C-N 3.28Å; W127-G129 PolarHBondContact O-N 3.36Å; W127-H130 PolarHBondContact O-N 3.37Å; W127-L131 HydrophobicContact CG-CD1 4.45Å; W127-L131 HydrophobicContact CZ2-CD2 4.41Å; W127-L131 VanDerWaalsContact NE1-CD1 3.25Å; W127-L131 WeakPolarHBondContact O-CG 3.39Å; W127-L131 PolarHBondContact O-N 2.78Å; W127-L151 HydrophobicContact CB-CB 4.49Å; W127-L151 HydrophobicContact CD2-CB 3.52Å; W127-L151 HydrophobicContact CD2-CD2 4.14Å; W127-L151 HydrophobicContact CD2-CG 4.34Å; W127-L151 HydrophobicContact CE3-CB 3.86Å; W127-L151 HydrophobicContact CE3-CD1 4.46Å; W127-L151 HydrophobicContact CE3-CD2 3.6Å; W127-L151 HydrophobicContact CE3-CG 4.17Å; W127-L151 HydrophobicContact CG-CB 3.8Å; W127-L151 HydrophobicContact CH2-CB 4.43Å; W127-L151 HydrophobicContact CH2-CD1 4.16Å; W127-L151 HydrophobicContact CZ2-CB 4.15Å; W127-L151 HydrophobicContact CZ3-CB 4.28Å; W127-L151 HydrophobicContact CZ3-CD1 4.11Å; W127-L151 HydrophobicContact CZ3-CD2 3.9Å; W127-L151 HydrophobicContact CZ3-CG 4.31Å |
| 128 | A | 90.3 | Very high | 92.7 | Very high | 73 Ų | 73 | 57.3 Ų | 57.3 | 60% | 0.603 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.5 | -36.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E126 K132 | E126-A128 PolarHBondContact O-N 3.18Å; A128-K132 WeakPolarHBondContact O-CB 3.37Å; A128-K132 PolarHBondContact O-N 2.77Å; A128-K132 VanDerWaalsContact O-N 3.07Å |
| 129 | G | 92.7 | Very high | 92.7 | Very high | 48 Ų | 48 | 61.1 Ų | 61.1 | 50% | 0.495 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | E126 W127 K132 K133 | E126-G129 WeakPolarHBondContact O-CA 2.88Å; E126-G129 PolarHBondContact O-N 3.23Å; W127-G129 VanDerWaalsContact C-N 3.28Å; W127-G129 PolarHBondContact O-N 3.36Å; G129-K132 PolarHBondContact O-N 2.94Å; G129-K133 PolarHBondContact O-N 2.82Å |
| 130 | H | 94.3 | Very high | 92.6 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.046 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 176.6 | -70.8 | -56.1 | 0 | 0 | 0 | 112.3 | V97 E126 W127 K133 L134 | V97-H130 HydrophobicContact CB-CB 4.11Å; V97-H130 HydrophobicContact CG1-CB 4.07Å; V97-H130 HydrophobicContact CG2-CB 3.79Å; E126-H130 WeakPolarHBondContact CB-NE2 3.28Å; E126-H130 PolarHBondContact O-CD2 3.18Å; E126-H130 PolarHBondContact O-N 2.97Å; E126-H130 IonicContact OE2-CD2 3.14Å; E126-H130 IonicContact OE2-CE1 3.42Å; E126-H130 IonicContact OE2-NE2 2.72Å; E126-H130 PolarHBondContact OE2-NE2 3.38Å; W127-H130 PolarHBondContact O-N 3.37Å; H130-K133 PolarHBondContact O-N 3.34Å; H130-L134 WeakPolarHBondContact O-CB 3.35Å; H130-L134 WeakPolarHBondContact O-CG 3.34Å; H130-L134 PolarHBondContact O-N 2.87Å |
| 131 | L | 92.6 | Very high | 92.3 | Very high | 18 Ų | 18 | 67.5 Ų | 67.5 | 9% | 0.094 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59 | -49 | 176.9 | -73 | 178.3 | 0 | 0 | 0 | 111.9 | V97 V101 W127 K133 L134 I135 L140 V145 | V97-L131 HydrophobicContact CG1-CD2 3.88Å; V97-L131 HydrophobicContact CG1-CG 4.35Å; V101-L131 HydrophobicContact CG2-CD2 3.77Å; W127-L131 HydrophobicContact CG-CD1 4.45Å; W127-L131 HydrophobicContact CZ2-CD2 4.41Å; W127-L131 VanDerWaalsContact NE1-CD1 3.25Å; W127-L131 WeakPolarHBondContact O-CG 3.39Å; W127-L131 PolarHBondContact O-N 2.78Å; L131-K133 PolarHBondContact O-N 3.15Å; L131-L134 PolarHBondContact O-N 3.07Å; L131-I135 VanDerWaalsContact O-CG1 3.32Å; L131-I135 WeakPolarHBondContact O-CG1 3.44Å; L131-I135 PolarHBondContact O-N 3.33Å; L131-L140 HydrophobicContact CD2-CD1 4.19Å; L131-V145 HydrophobicContact CB-CG1 4.25Å; L131-V145 HydrophobicContact CD1-CG1 3.65Å; L131-V145 HydrophobicContact CD2-CG1 3.9Å; L131-V145 HydrophobicContact CD2-CG2 4.07Å; L131-V145 HydrophobicContact CG-CG1 4.16Å |
| 132 | K | 92.4 | Very high | 92 | Very high | 140 Ų | 140 | 73.3 Ų | 73.3 | 61% | 0.609 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -56 | -44.4 | 177 | -175 | -179.7 | 177.2 | -176.6 | 0 | 110.6 | A128 G129 I135 E136 | A128-K132 WeakPolarHBondContact O-CB 3.37Å; A128-K132 PolarHBondContact O-N 2.77Å; A128-K132 VanDerWaalsContact O-N 3.07Å; G129-K132 PolarHBondContact O-N 2.94Å; K132-I135 PolarHBondContact O-N 3.34Å; K132-E136 WeakPolarHBondContact CE-OE1 3.35Å; K132-E136 WeakPolarHBondContact O-CG 3.4Å; K132-E136 PolarHBondContact O-N 2.95Å |
| 133 | K | 93.9 | Very high | 91.5 | Very high | 92 Ų | 92 | 73.4 Ų | 73.4 | 40% | 0.4 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.6 | -39.8 | -179.6 | -166.5 | 64.1 | -174.3 | 170.2 | 0 | 113.1 | G129 H130 L131 I135 E136 L137 | G129-K133 PolarHBondContact O-N 2.82Å; H130-K133 PolarHBondContact O-N 3.34Å; L131-K133 PolarHBondContact O-N 3.15Å; K133-I135 VanDerWaalsContact C-N 3.33Å; K133-E136 WeakPolarHBondContact CD-OE2 3.46Å; K133-E136 IonicContact NZ-OE2 3.02Å; K133-E136 PolarHBondContact NZ-OE2 3.22Å; K133-E136 PolarHBondContact O-N 3Å; K133-L137 HydrophobicContact CG-CD1 4.28Å; K133-L137 WeakPolarHBondContact O-CB 3.48Å; K133-L137 VanDerWaalsContact O-CG 3.29Å; K133-L137 WeakPolarHBondContact O-CG 3.36Å; K133-L137 PolarHBondContact O-N 3.32Å |
| 134 | L | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.6 | -36.1 | 177.3 | -75 | 164.7 | 0 | 0 | 0 | 112.5 | Q94 V97 E98 H130 L131 L137 K138 R139 L140 | Q94-L134 HydrophobicContact CG-CD1 4.07Å; Q94-L134 HydrophobicContact CG-CD2 3.7Å; Q94-L134 HydrophobicContact CG-CG 3.63Å; V97-L134 HydrophobicContact CB-CD1 4.11Å; V97-L134 HydrophobicContact CG1-CD1 3.78Å; E98-L134 HydrophobicContact CB-CD1 3.92Å; E98-L134 HydrophobicContact CB-CD2 3.95Å; E98-L134 HydrophobicContact CG-CD2 4.29Å; H130-L134 WeakPolarHBondContact O-CB 3.35Å; H130-L134 WeakPolarHBondContact O-CG 3.34Å; H130-L134 PolarHBondContact O-N 2.87Å; L131-L134 PolarHBondContact O-N 3.07Å; L134-L137 PolarHBondContact O-N 3.27Å; L134-K138 PolarHBondContact O-N 3.29Å; L134-R139 HydrophobicContact CD2-CB 3.91Å; L134-R139 PolarHBondContact O-N 3.32Å; L134-L140 HydrophobicContact CB-CB 4.25Å; L134-L140 HydrophobicContact CB-CD1 3.71Å; L134-L140 HydrophobicContact CB-CG 3.98Å; L134-L140 HydrophobicContact CD1-CD1 3.59Å; L134-L140 HydrophobicContact CD1-CG 4.4Å; L134-L140 HydrophobicContact CG-CD1 4.21Å; L134-L140 PolarHBondContact O-N 3.23Å |
| 135 | I | 92.8 | Very high | 90.5 | Very high | 52 Ų | 52 | 74.8 Ų | 74.8 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67 | -45.8 | 173.1 | -65.6 | 164.9 | 0 | 0 | 0 | 110.4 | L131 K132 K133 L137 K138 L140 K142 V145 | L131-I135 VanDerWaalsContact O-CG1 3.32Å; L131-I135 WeakPolarHBondContact O-CG1 3.44Å; L131-I135 PolarHBondContact O-N 3.33Å; K132-I135 PolarHBondContact O-N 3.34Å; K133-I135 VanDerWaalsContact C-N 3.33Å; I135-L137 VanDerWaalsContact C-N 3.26Å; I135-L137 PolarHBondContact O-N 3.49Å; I135-K138 PolarHBondContact O-N 2.84Å; I135-L140 HydrophobicContact CG1-CB 4.48Å; I135-K142 HydrophobicContact CD1-CB 4.46Å; I135-K142 HydrophobicContact CD1-CG 4.42Å; I135-K142 HydrophobicContact CG2-CB 4.4Å; I135-V145 HydrophobicContact CD1-CB 4.21Å; I135-V145 HydrophobicContact CD1-CG1 4.31Å; I135-V145 HydrophobicContact CD1-CG2 4.08Å; I135-V145 HydrophobicContact CG1-CG2 4.24Å |
| 136 | E | 93.4 | Very high | 90.1 | Very high | 106 Ų | 106 | 74 Ų | 74 | 50% | 0.495 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.5 | -40.3 | 175.6 | -75.6 | 173.4 | -168.8 | 0 | 0 | 112.1 | K132 K133 K138 | K132-E136 WeakPolarHBondContact CE-OE1 3.35Å; K132-E136 WeakPolarHBondContact O-CG 3.4Å; K132-E136 PolarHBondContact O-N 2.95Å; K133-E136 WeakPolarHBondContact CD-OE2 3.46Å; K133-E136 IonicContact NZ-OE2 3.02Å; K133-E136 PolarHBondContact NZ-OE2 3.22Å; K133-E136 PolarHBondContact O-N 3Å; E136-K138 PolarHBondContact O-N 2.88Å |
| 137 | L | 93.3 | Very high | 89.3 | Confident | 93 Ų | 93 | 76.1 Ų | 76.1 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 1.8 | 177 | -66.2 | 177.5 | 0 | 0 | 0 | 113.7 | K133 L134 I135 R139 | K133-L137 HydrophobicContact CG-CD1 4.28Å; K133-L137 WeakPolarHBondContact O-CB 3.48Å; K133-L137 VanDerWaalsContact O-CG 3.29Å; K133-L137 WeakPolarHBondContact O-CG 3.36Å; K133-L137 PolarHBondContact O-N 3.32Å; L134-L137 PolarHBondContact O-N 3.27Å; I135-L137 VanDerWaalsContact C-N 3.26Å; I135-L137 PolarHBondContact O-N 3.49Å; L137-R139 HydrophobicContact CB-CG 4.05Å; L137-R139 PolarHBondContact O-N 3.45Å |
| 138 | K | 92 | Very high | 88.4 | Confident | 193 Ų | 193 | 77 Ų | 77 | 84% | 0.839 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 27.9 | -176.1 | -55.3 | -178.1 | 178.8 | -179.5 | 0 | 114 | L134 I135 E136 | L134-K138 PolarHBondContact O-N 3.29Å; I135-K138 PolarHBondContact O-N 2.84Å; E136-K138 PolarHBondContact O-N 2.88Å |
| 139 | R | 91.9 | Very high | 87.6 | Confident | 119 Ų | 119 | 75.5 Ų | 75.5 | 45% | 0.449 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -86.1 | -25.2 | 174.3 | -64.3 | -168.9 | 70.9 | 176.1 | 6.5 | 112.1 | E98 L134 L137 | E98-R139 VanDerWaalsContact CD-NE 3.3Å; E98-R139 IonicContact OE1-CZ 2.97Å; E98-R139 IonicContact OE1-NE 3.52Å; E98-R139 PolarHBondContact OE1-NE 2.94Å; E98-R139 IonicContact OE1-NH2 2.57Å; E98-R139 PolarHBondContact OE1-NH2 2.69Å; E98-R139 IonicContact OE2-CZ 3.43Å; E98-R139 IonicContact OE2-NE 2.64Å; E98-R139 PolarHBondContact OE2-NE 2.96Å; E98-R139 IonicContact OE2-NH1 2.75Å; E98-R139 PolarHBondContact OE2-NH1 3.41Å; E98-R139 IonicContact OE2-NH2 3.06Å; E98-R139 PolarHBondContact OE2-NH2 2.94Å; L134-R139 HydrophobicContact CD2-CB 3.91Å; L134-R139 PolarHBondContact O-N 3.32Å; L137-R139 HydrophobicContact CB-CG 4.05Å; L137-R139 PolarHBondContact O-N 3.45Å |
| 140 | L | 90.8 | Very high | 87.1 | Confident | 8 Ų | 8 | 78.8 Ų | 78.8 | 4% | 0.042 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -129.2 | 144.5 | 174.1 | -68.3 | 177.5 | 0 | 0 | 0 | 110.4 | E98 V101 I102 L131 L134 I135 V145 | E98-L140 HydrophobicContact CG-CD2 4.28Å; E98-L140 HydrophobicContact CG-CG 4.49Å; V101-L140 HydrophobicContact CB-CD1 3.98Å; V101-L140 HydrophobicContact CB-CD2 4.12Å; V101-L140 HydrophobicContact CG1-CD1 3.76Å; V101-L140 HydrophobicContact CG1-CD2 3.6Å; V101-L140 HydrophobicContact CG1-CG 4.29Å; V101-L140 HydrophobicContact CG2-CD1 4.1Å; I102-L140 HydrophobicContact CG1-CD2 4.5Å; L131-L140 HydrophobicContact CD2-CD1 4.19Å; L134-L140 HydrophobicContact CB-CB 4.25Å; L134-L140 HydrophobicContact CB-CD1 3.71Å; L134-L140 HydrophobicContact CB-CG 3.98Å; L134-L140 HydrophobicContact CD1-CD1 3.59Å; L134-L140 HydrophobicContact CD1-CG 4.4Å; L134-L140 HydrophobicContact CG-CD1 4.21Å; L134-L140 PolarHBondContact O-N 3.23Å; I135-L140 HydrophobicContact CG1-CB 4.48Å; L140-V145 HydrophobicContact CB-CG2 4.12Å; L140-V145 HydrophobicContact CD1-CG2 4.12Å |
| 141 | E | 88.1 | Confident | 86.9 | Confident | 141 Ų | 141 | 78.5 Ų | 78.5 | 66% | 0.659 | 39% | 0.388 | S | S | * | . | trans | -84.5 | 138.6 | 172.2 | -66.9 | -171.4 | 174.6 | 0 | 0 | 111 | A143 Q144 V145 | E141-A143 PolarHBondContact O-N 3.28Å; E141-Q144 HydrophobicContact CB-CB 4.41Å; E141-Q144 WeakPolarHBondContact O-CB 3.41Å; E141-Q144 PolarHBondContact O-N 3.12Å; E141-Q144 VanDerWaalsContact O-N 3.08Å; E141-V145 PolarHBondContact O-N 3.49Å | ||
| 142 | K | 85.8 | Confident | 86.8 | Confident | 132 Ų | 132 | 79 Ų | 79 | 57% | 0.574 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -57.5 | -39.1 | 178.2 | -170.6 | -179.4 | 175.9 | -176.5 | 0 | 112 | I135 Q144 V145 D146 | I135-K142 HydrophobicContact CD1-CB 4.46Å; I135-K142 HydrophobicContact CD1-CG 4.42Å; I135-K142 HydrophobicContact CG2-CB 4.4Å; K142-Q144 VanDerWaalsContact C-N 3.31Å; K142-Q144 PolarHBondContact O-N 3.26Å; K142-V145 PolarHBondContact O-N 2.84Å; K142-D146 WeakPolarHBondContact CE-OD2 3.47Å; K142-D146 WeakPolarHBondContact CG-OD2 3.07Å; K142-D146 WeakPolarHBondContact O-CB 3.42Å; K142-D146 VanDerWaalsContact O-CG 3.22Å; K142-D146 PolarHBondContact O-N 3.36Å |
| 143 | A | 83.6 | Confident | 86.9 | Confident | 66 Ų | 66 | 72.6 Ų | 72.6 | 55% | 0.545 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61 | -37.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | E141 L147 | E141-A143 PolarHBondContact O-N 3.28Å; A143-L147 WeakPolarHBondContact O-CB 3.29Å; A143-L147 PolarHBondContact O-N 2.74Å |
| 144 | Q | 81 | Confident | 87 | Confident | 68 Ų | 68 | 68.3 Ų | 68.3 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.3 | -44.4 | 176.4 | -178.6 | 179.5 | -3 | 0 | 0 | 111.1 | V101 E141 K142 L147 L148 | V101-Q144 HydrophobicContact CG1-CG 4.16Å; V101-Q144 PolarHBondContact O-NE2 3.1Å; V101-Q144 VanDerWaalsContact O-NE2 3.08Å; E141-Q144 HydrophobicContact CB-CB 4.41Å; E141-Q144 WeakPolarHBondContact O-CB 3.41Å; E141-Q144 PolarHBondContact O-N 3.12Å; E141-Q144 VanDerWaalsContact O-N 3.08Å; K142-Q144 VanDerWaalsContact C-N 3.31Å; K142-Q144 PolarHBondContact O-N 3.26Å; Q144-L147 WeakPolarHBondContact O-CB 3.47Å; Q144-L147 PolarHBondContact O-N 3Å; Q144-L148 HydrophobicContact CG-CD1 3.91Å; Q144-L148 WeakPolarHBondContact O-CD1 3.5Å; Q144-L148 WeakPolarHBondContact O-CG 3.41Å; Q144-L148 PolarHBondContact O-N 3.34Å |
| 145 | V | 83.2 | Confident | 87.2 | Confident | 14 Ų | 14 | 68.3 Ų | 68.3 | 9% | 0.085 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.5 | -45.6 | -179.6 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | V101 L131 I135 L140 E141 K142 L147 L148 G149 | V101-V145 HydrophobicContact CG1-CG2 4.45Å; L131-V145 HydrophobicContact CB-CG1 4.25Å; L131-V145 HydrophobicContact CD1-CG1 3.65Å; L131-V145 HydrophobicContact CD2-CG1 3.9Å; L131-V145 HydrophobicContact CD2-CG2 4.07Å; L131-V145 HydrophobicContact CG-CG1 4.16Å; I135-V145 HydrophobicContact CD1-CB 4.21Å; I135-V145 HydrophobicContact CD1-CG1 4.31Å; I135-V145 HydrophobicContact CD1-CG2 4.08Å; I135-V145 HydrophobicContact CG1-CG2 4.24Å; L140-V145 HydrophobicContact CB-CG2 4.12Å; L140-V145 HydrophobicContact CD1-CG2 4.12Å; E141-V145 PolarHBondContact O-N 3.49Å; K142-V145 PolarHBondContact O-N 2.84Å; V145-L147 PolarHBondContact O-N 2.93Å; V145-L148 PolarHBondContact O-N 2.9Å; V145-G149 PolarHBondContact O-N 3.34Å |
| 146 | D | 81.8 | Confident | 87.4 | Confident | 108 Ų | 108 | 65.9 Ų | 65.9 | 58% | 0.578 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.6 | -30.3 | 177.6 | -70.2 | -13.4 | 0 | 0 | 0 | 111 | K142 | K142-D146 WeakPolarHBondContact CE-OD2 3.47Å; K142-D146 WeakPolarHBondContact CG-OD2 3.07Å; K142-D146 WeakPolarHBondContact O-CB 3.42Å; K142-D146 VanDerWaalsContact O-CG 3.22Å; K142-D146 PolarHBondContact O-N 3.36Å |
| 147 | L | 76.3 | Confident | 87.6 | Confident | 104 Ų | 104 | 61 Ų | 61 | 55% | 0.545 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.5 | -35.5 | 172.8 | -124.3 | 80.4 | 0 | 0 | 0 | 112.2 | R9 A143 Q144 V145 | R9-L147 VanDerWaalsContact CZ-CG 3.45Å; R9-L147 PolarHBondContact NH1-O 2.92Å; R9-L147 VanDerWaalsContact NH2-C 3.33Å; R9-L147 PolarHBondContact NH2-O 3.43Å; A143-L147 WeakPolarHBondContact O-CB 3.29Å; A143-L147 PolarHBondContact O-N 2.74Å; Q144-L147 WeakPolarHBondContact O-CB 3.47Å; Q144-L147 PolarHBondContact O-N 3Å; V145-L147 PolarHBondContact O-N 2.93Å |
| 148 | L | 72 | Confident | 87.7 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -86.3 | -20.5 | -168.1 | -79.3 | 158.6 | 0 | 0 | 0 | 113.5 | V101 G104 T106 Q144 V145 | V101-L148 HydrophobicContact CB-CD1 4.41Å; V101-L148 HydrophobicContact CG1-CD1 3.66Å; V101-L148 WeakPolarHBondContact O-CD1 3.32Å; G104-L148 VanDerWaalsContact C-CD2 3.49Å; G104-L148 VanDerWaalsContact O-CD2 3.29Å; G104-L148 WeakPolarHBondContact O-CD2 3.4Å; T106-L148 HydrophobicContact CG2-CB 3.85Å; T106-L148 HydrophobicContact CG2-CD2 3.5Å; T106-L148 VanDerWaalsContact CG2-CD2 3.5Å; T106-L148 HydrophobicContact CG2-CG 4.31Å; T106-L148 WeakPolarHBondContact CG2-O 3.42Å; Q144-L148 HydrophobicContact CG-CD1 3.91Å; Q144-L148 WeakPolarHBondContact O-CD1 3.5Å; Q144-L148 WeakPolarHBondContact O-CG 3.41Å; Q144-L148 PolarHBondContact O-N 3.34Å; V145-L148 PolarHBondContact O-N 2.9Å |
| 149 | G | 73 | Confident | 87.9 | Confident | 42 Ų | 42 | 47.6 Ų | 47.6 | 43% | 0.433 | 25% | 0.246 | S | C | . | . | trans | 64.5 | -158.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | V145 | V145-G149 PolarHBondContact O-N 3.34Š| ||
| 150 | E | 82.6 | Confident | 88.1 | Confident | 118 Ų | 118 | 42 Ų | 42 | 55% | 0.551 | 23% | 0.225 | S | C | * | . | P | Polyproline II helix | trans | -90.2 | 153.2 | -172.4 | -71.5 | -171.3 | -169.7 | 0 | 0 | 113.9 | R152 A325 | E150-R152 PolarHBondContact O-N 2.9Å; E150-A325 HydrophobicContact CB-CB 3.74Å; E150-A325 WeakPolarHBondContact OE2-CB 3.14Å; E150-A325 VanDerWaalsContact OE2-O 3.1Å |
| 151 | L | 89.7 | Confident | 88.3 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 118.4 | 175.4 | -175.7 | 71.6 | 0 | 0 | 0 | 111.1 | L108 L123 R124 W127 I153 | L108-L151 HydrophobicContact CB-CD1 4.11Å; L123-L151 HydrophobicContact CD2-CD2 4.34Å; L123-L151 HydrophobicContact CG-CD2 4.46Å; R124-L151 HydrophobicContact CB-CD2 4.35Å; W127-L151 HydrophobicContact CB-CB 4.49Å; W127-L151 HydrophobicContact CD2-CB 3.52Å; W127-L151 HydrophobicContact CD2-CD2 4.14Å; W127-L151 HydrophobicContact CD2-CG 4.34Å; W127-L151 HydrophobicContact CE3-CB 3.86Å; W127-L151 HydrophobicContact CE3-CD1 4.46Å; W127-L151 HydrophobicContact CE3-CD2 3.6Å; W127-L151 HydrophobicContact CE3-CG 4.17Å; W127-L151 HydrophobicContact CG-CB 3.8Å; W127-L151 HydrophobicContact CH2-CB 4.43Å; W127-L151 HydrophobicContact CH2-CD1 4.16Å; W127-L151 HydrophobicContact CZ2-CB 4.15Å; W127-L151 HydrophobicContact CZ3-CB 4.28Å; W127-L151 HydrophobicContact CZ3-CD1 4.11Å; W127-L151 HydrophobicContact CZ3-CD2 3.9Å; W127-L151 HydrophobicContact CZ3-CG 4.31Å; L151-I153 HydrophobicContact CD1-CG2 4.48Å; L151-I153 HydrophobicContact CD2-CG2 3.73Å; L151-I153 HydrophobicContact CG-CG2 3.75Å |
| 152 | R | 91.4 | Very high | 88.7 | Confident | 29 Ų | 29 | 35.6 Ų | 35.6 | 11% | 0.109 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 132 | 170.2 | -69.7 | 171 | -76 | 144.7 | 10.7 | 108.6 | T106 D107 L108 E150 L319 A325 | T106-R152 PolarHBondContact O-N 3.48Å; T106-R152 PolarHBondContact OG1-NH2 3.02Å; D107-R152 VanDerWaalsContact OD1-CB 3.28Å; D107-R152 WeakPolarHBondContact OD1-CB 3.46Å; D107-R152 IonicContact OD1-CZ 2.84Å; D107-R152 IonicContact OD1-NE 3.23Å; D107-R152 PolarHBondContact OD1-NE 3.44Å; D107-R152 VanDerWaalsContact OD1-NE 3.12Å; D107-R152 IonicContact OD1-NH1 2.87Å; D107-R152 PolarHBondContact OD1-NH1 2.91Å; D107-R152 IonicContact OD1-NH2 3.34Å; D107-R152 PolarHBondContact OD1-NH2 3.03Å; D107-R152 IonicContact OD2-CZ 3.5Å; D107-R152 IonicContact OD2-NH1 3.42Å; D107-R152 PolarHBondContact OD2-NH1 3.43Å; D107-R152 VanDerWaalsContact OD2-NH1 3.14Å; D107-R152 IonicContact OD2-NH2 2.82Å; D107-R152 PolarHBondContact OD2-NH2 3.15Å; L108-R152 PolarHBondContact N-O 3.46Å; E150-R152 PolarHBondContact O-N 2.9Å; R152-L319 HydrophobicContact CB-CD2 3.87Å; R152-L319 PolarHBondContact NH1-O 3.38Å; R152-A325 HydrophobicContact CG-CB 4.27Å |
| 153 | I | 94.3 | Very high | 89 | Confident | 6 Ų | 6 | 29.6 Ų | 29.6 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 144.7 | -176.8 | 69.6 | 177.7 | 0 | 0 | 0 | 111.1 | L108 L120 R124 L151 P331 L346 | L108-I153 HydrophobicContact CB-CG2 4.38Å; L108-I153 CarbonylContact O-C 3.53Å; L108-I153 VanDerWaalsContact O-CA 3.31Å; L108-I153 WeakPolarHBondContact O-CA 3.28Å; L120-I153 HydrophobicContact CD1-CB 4.32Å; L120-I153 HydrophobicContact CD1-CG2 4.06Å; L120-I153 HydrophobicContact CD2-CB 3.93Å; L120-I153 HydrophobicContact CD2-CD1 3.97Å; L120-I153 HydrophobicContact CD2-CG1 4.28Å; L120-I153 HydrophobicContact CG-CB 4.06Å; L120-I153 HydrophobicContact CG-CD1 3.76Å; L120-I153 HydrophobicContact CG-CG1 4.41Å; L120-I153 HydrophobicContact CG-CG2 4.17Å; R124-I153 HydrophobicContact CB-CD1 3.76Å; R124-I153 HydrophobicContact CB-CG1 4.5Å; R124-I153 HydrophobicContact CB-CG2 4.28Å; R124-I153 HydrophobicContact CG-CD1 4.29Å; L151-I153 HydrophobicContact CD1-CG2 4.48Å; L151-I153 HydrophobicContact CD2-CG2 3.73Å; L151-I153 HydrophobicContact CG-CG2 3.75Å; I153-P331 HydrophobicContact CD1-CB 3.63Å; I153-P331 HydrophobicContact CD1-CG 4.43Å; I153-P331 HydrophobicContact CG1-CB 3.51Å; I153-L346 HydrophobicContact CD1-CD2 3.78Å |
| 154 | V | 96.2 | Very high | 89.4 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.012 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 133.4 | 165.4 | 177 | 0 | 0 | 0 | 0 | 110 | L108 V109 C110 A315 A318 L319 V332 I334 | L108-V154 PolarHBondContact O-N 2.9Å; V109-V154 WeakPolarHBondContact CA-O 3.29Å; C110-V154 PolarHBondContact N-O 2.8Å; V154-A315 HydrophobicContact CB-CB 4.34Å; V154-A315 HydrophobicContact CG1-CB 3.64Å; V154-A318 HydrophobicContact CG2-CB 4.09Å; V154-L319 HydrophobicContact CB-CG 4.4Å; V154-L319 HydrophobicContact CG2-CD1 4.31Å; V154-L319 HydrophobicContact CG2-CD2 3.66Å; V154-L319 HydrophobicContact CG2-CG 3.6Å; V154-V332 WeakPolarHBondContact CA-O 3.31Å; V154-V332 HydrophobicContact CG1-CG2 4.27Å; V154-V332 HydrophobicContact CG2-CG2 3.74Å; V154-I334 HydrophobicContact CG1-CD1 3.93Å; V154-I334 HydrophobicContact CG1-CG1 3.76Å |
| 155 | G | 97.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 137.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L117 V332 V333 I334 | L117-G155 VanDerWaalsContact CD2-CA 3.48Å; G155-V332 PolarHBondContact N-O 2.7Å; G155-V333 VanDerWaalsContact O-CA 3.31Å; G155-V333 WeakPolarHBondContact O-CA 3.26Å; G155-V333 WeakPolarHBondContact O-CG2 3.42Å; G155-I334 PolarHBondContact O-N 3.1Å |
| 156 | L | 98.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 125.4 | 165.9 | -61.6 | -173.3 | 0 | 0 | 0 | 108.8 | A28 V32 V109 C110 I111 G112 G158 M311 A315 I334 | A28-L156 HydrophobicContact CB-CD1 4.04Å; V32-L156 HydrophobicContact CG2-CD1 4.25Å; V109-L156 HydrophobicContact CG1-CD1 4.15Å; V109-L156 HydrophobicContact CG1-CG 4.25Å; C110-L156 PolarHBondContact O-N 3.25Å; I111-L156 WeakPolarHBondContact CA-O 3.36Å; I111-L156 HydrophobicContact CG1-CB 4.15Å; I111-L156 HydrophobicContact CG1-CD1 4.04Å; I111-L156 HydrophobicContact CG1-CG 4.5Å; I111-L156 HydrophobicContact CG2-CB 4.5Å; G112-L156 PolarHBondContact N-O 2.88Å; L156-G158 PolarHBondContact O-N 3.43Å; L156-M311 HydrophobicContact CD2-CB 3.87Å; L156-A315 HydrophobicContact CD1-CB 4.25Å; L156-A315 HydrophobicContact CD2-CB 4.06Å; L156-A315 HydrophobicContact CG-CB 4.34Å; L156-I334 HydrophobicContact CD2-CB 3.59Å; L156-I334 HydrophobicContact CD2-CG1 3.55Å |
| 157 | V | 97 | Very high | 90.7 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 99.9 | -174.9 | -162 | 0 | 0 | 0 | 0 | 110.6 | G112 L117 F164 T170 I171 V333 | G112-V157 CarbonylContact O-C 3.6Å; G112-V157 WeakPolarHBondContact O-CA 3.36Å; L117-V157 HydrophobicContact CD1-CB 4.35Å; L117-V157 HydrophobicContact CD1-CG1 4.46Å; L117-V157 HydrophobicContact CD1-CG2 3.69Å; V157-F164 HydrophobicContact CG1-CB 3.69Å; V157-F164 HydrophobicContact CG1-CD1 4.27Å; V157-F164 HydrophobicContact CG1-CG 3.92Å; V157-F164 HydrophobicContact CG2-CB 4.48Å; V157-F164 HydrophobicContact CG2-CD1 3.52Å; V157-F164 HydrophobicContact CG2-CE1 3.81Å; V157-F164 HydrophobicContact CG2-CG 3.99Å; V157-T170 HydrophobicContact CB-CG2 3.82Å; V157-T170 HydrophobicContact CG1-CG2 3.34Å; V157-I171 PolarHBondContact O-N 2.92Å; V157-V333 HydrophobicContact CG2-CG2 3.63Å |
| 158 | G | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.101 | C | C | . | . | B | Isolated β-bridge | trans | -100.6 | 99.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | M25 G112 G113 L156 | M25-G158 WeakPolarHBondContact CE-O 3.47Å; G112-G158 CarbonylContact C-O 3.6Å; G112-G158 VanDerWaalsContact C-O 3.29Å; G112-G158 PolarHBondContact O-N 2.94Å; G113-G158 PolarHBondContact N-O 2.78Å; L156-G158 PolarHBondContact O-N 3.43Å |
| 159 | S | 95.6 | Very high | 92.4 | Very high | 6 Ų | 6 | 16.4 Ų | 16.4 | 4% | 0.042 | 10% | 0.098 | C | C | . | . | trans | -158.2 | 144.7 | -179.8 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | D161 T170 I171 V173 | S159-D161 PolarHBondContact OG-N 2.85Å; S159-T170 WeakPolarHBondContact O-CB 3.42Å; S159-T170 PolarHBondContact O-OG1 3.43Å; S159-I171 CarbonylContact C-O 3.56Å; S159-I171 PolarHBondContact N-O 3.24Å; S159-V173 WeakPolarHBondContact O-CG2 3.49Å | ||
| 160 | I | 96.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -84.1 | -18.3 | 171.5 | 66.5 | 164.2 | 0 | 0 | 0 | 112.3 | A22 N162 A176 M203 L210 Q295 R296 | A22-I160 HydrophobicContact CB-CG2 4.18Å; I160-N162 VanDerWaalsContact C-N 3.29Å; I160-N162 PolarHBondContact O-N 2.84Å; I160-A176 HydrophobicContact CB-CB 3.82Å; I160-A176 HydrophobicContact CG2-CB 3.91Å; I160-M203 HydrophobicContact CD1-CB 4.03Å; I160-M203 HydrophobicContact CD1-SD 4.09Å; I160-L210 HydrophobicContact CB-CD1 4.47Å; I160-L210 HydrophobicContact CD1-CD1 4.35Å; I160-L210 HydrophobicContact CG1-CD1 4.44Å; I160-L210 WeakPolarHBondContact O-CD1 3.37Å; I160-L210 WeakPolarHBondContact O-CG 3.37Å; I160-Q295 HydrophobicContact CD1-CB 4.36Å; I160-R296 HydrophobicContact CD1-CG 3.73Å |
| 161 | D | 94.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 8.8 Ų | 8.8 | 1% | 0.005 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -76.9 | -19.9 | -167.7 | -57.1 | -36.3 | 0 | 0 | 0 | 112.2 | S159 D163 G204 R205 C207 R296 | S159-D161 PolarHBondContact OG-N 2.85Å; D161-D163 HydrophobicContact CB-CB 4.18Å; D161-D163 PolarHBondContact O-N 3.33Å; D161-G204 VanDerWaalsContact OD1-CA 3.29Å; D161-G204 WeakPolarHBondContact OD1-CA 3.38Å; D161-R205 IonicContact OD2-CZ 2.69Å; D161-R205 IonicContact OD2-NE 2.68Å; D161-C207 WeakPolarHBondContact O-CB 3.37Å; D161-R296 IonicContact OD2-NH2 3.04Å |
| 162 | N | 94.9 | Very high | 94.6 | Very high | 13 Ų | 13 | 8.7 Ų | 8.7 | 7% | 0.07 | 5% | 0.05 | C | C | . | . | trans | 51.5 | 38.3 | -171.4 | -153.5 | 32.5 | 0 | 0 | 0 | 113.4 | I160 D168 M169 T170 V173 Y209 | I160-N162 VanDerWaalsContact C-N 3.29Å; I160-N162 PolarHBondContact O-N 2.84Å; N162-D168 PolarHBondContact ND2-O 2.98Å; N162-M169 VanDerWaalsContact OD1-CA 3.26Å; N162-M169 WeakPolarHBondContact OD1-CA 3.41Å; N162-T170 PolarHBondContact OD1-N 3.42Å; N162-V173 HydrophobicContact CB-CG1 4.37Å; N162-V173 HydrophobicContact CB-CG2 3.66Å; N162-Y209 HydrophobicContact CB-CD1 3.75Å; N162-Y209 HydrophobicContact CB-CD2 4.41Å; N162-Y209 HydrophobicContact CB-CE1 4.29Å; N162-Y209 HydrophobicContact CB-CG 3.83Å; N162-Y209 WeakPolarHBondContact ND2-CD2 3.38Å; N162-Y209 WeakPolarHBondContact ND2-CE2 3.45Å; N162-Y209 VanDerWaalsContact ND2-CZ 3.29Å | ||
| 163 | D | 92.2 | Very high | 94.9 | Very high | 7 Ų | 7 | 7.3 Ų | 7.3 | 4% | 0.037 | 5% | 0.045 | C | C | . | . | trans | -96.7 | -1.4 | -171.4 | 66.4 | -18.9 | 0 | 0 | 0 | 114.5 | D161 R205 C207 R372 | D161-D163 HydrophobicContact CB-CB 4.18Å; D161-D163 PolarHBondContact O-N 3.33Å; D163-R205 IonicContact OD2-NH1 3.43Å; D163-R205 PolarHBondContact OD2-NH1 3.32Å; D163-R205 VanDerWaalsContact OD2-NH1 3.11Å; D163-C207 HydrophobicContact CB-CB 3.92Å; D163-R372 VanDerWaalsContact CA-NH1 3.31Å; D163-R372 PolarHBondContact O-NH1 3.12Å | ||
| 164 | F | 92.7 | Very high | 95 | Very high | 5 Ų | 5 | 7 Ų | 7 | 2% | 0.022 | 4% | 0.044 | C | C | . | . | trans | -88.7 | 123.8 | 179.8 | -166.7 | -97.7 | 0 | 0 | 0 | 111.6 | D114 L117 V157 T170 V333 L346 C349 V350 | D114-F164 HydrophobicContact CB-CD2 4Å; L117-F164 HydrophobicContact CB-CE2 4.29Å; L117-F164 HydrophobicContact CD1-CD2 4.43Å; L117-F164 HydrophobicContact CD1-CE1 4.42Å; L117-F164 HydrophobicContact CD1-CE2 3.9Å; L117-F164 HydrophobicContact CD1-CZ 3.89Å; V157-F164 HydrophobicContact CG1-CB 3.69Å; V157-F164 HydrophobicContact CG1-CD1 4.27Å; V157-F164 HydrophobicContact CG1-CG 3.92Å; V157-F164 HydrophobicContact CG2-CB 4.48Å; V157-F164 HydrophobicContact CG2-CD1 3.52Å; V157-F164 HydrophobicContact CG2-CE1 3.81Å; V157-F164 HydrophobicContact CG2-CG 3.99Å; F164-T170 HydrophobicContact CB-CG2 4.3Å; F164-V333 HydrophobicContact CE1-CG1 4.16Å; F164-V333 HydrophobicContact CE1-CG2 4.02Å; F164-V333 HydrophobicContact CZ-CG2 4.44Å; F164-L346 HydrophobicContact CZ-CD1 4.2Å; F164-C349 HydrophobicContact CD1-CB 4.42Å; F164-C349 HydrophobicContact CE1-CB 3.47Å; F164-C349 VanDerWaalsContact CE1-CB 3.47Å; F164-C349 HydrophobicContact CZ-CB 3.58Å; F164-V350 HydrophobicContact CE2-CG2 4.1Å; F164-V350 HydrophobicContact CZ-CG2 4.32Å | ||
| 165 | C | 92 | Very high | 95.1 | Very high | 7 Ų | 7 | 7.2 Ų | 7.2 | 5% | 0.047 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 148.9 | -179.2 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | C349 Q352 T353 | C165-C349 WeakPolarHBondContact O-CB 3.3Å; C165-Q352 HydrophobicContact CB-CB 3.66Å; C165-T353 PolarHBondContact N-OG1 3.23Å |
| 166 | G | 89.2 | Confident | 95.2 | Very high | 21 Ų | 21 | 7.2 Ų | 7.2 | 22% | 0.216 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -1.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | T335 R344 | G166-T335 VanDerWaalsContact O-CB 3.29Å; G166-T335 WeakPolarHBondContact O-CB 3.23Å; G166-T335 PolarHBondContact O-OG1 3.17Å; G166-R344 WeakPolarHBondContact O-CD 3.28Å; G166-R344 PolarHBondContact O-NE 3.39Å; G166-R344 VanDerWaalsContact O-NE 3.1Å |
| 167 | T | 92.7 | Very high | 95.2 | Very high | 17 Ų | 17 | 7.4 Ų | 7.4 | 10% | 0.104 | 5% | 0.046 | C | C | . | . | trans | -126.1 | 141.1 | 170.6 | -164.1 | 0 | 0 | 0 | 0 | 110.6 | M169 T170 L336 | T167-M169 VanDerWaalsContact C-N 3.34Å; T167-M169 PolarHBondContact OG1-O 3.43Å; T167-T170 HydrophobicContact CG2-CG2 3.54Å; T167-L336 WeakPolarHBondContact CA-O 3.27Å; T167-L336 PolarHBondContact OG1-N 3.07Å | ||
| 168 | D | 90.3 | Very high | 95.2 | Very high | 46 Ų | 46 | 8.7 Ų | 8.7 | 25% | 0.246 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -71.1 | -33.2 | 174.3 | -82.9 | -43.2 | 0 | 0 | 0 | 112.1 | N162 L336 D337 G338 T375 | N162-D168 PolarHBondContact ND2-O 2.98Å; D168-L336 PolarHBondContact N-O 3.45Å; D168-D337 WeakPolarHBondContact OD2-CA 3.09Å; D168-G338 PolarHBondContact OD2-N 3.38Å; D168-T375 PolarHBondContact OD1-OG1 2.9Å |
| 169 | M | 93.6 | Very high | 95.3 | Very high | 17 Ų | 17 | 11.7 Ų | 11.7 | 8% | 0.084 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -150.5 | 132.9 | -178.1 | -162.7 | 170.6 | -67.5 | 0 | 0 | 110.6 | N162 T167 V173 D174 F303 L336 | N162-M169 VanDerWaalsContact OD1-CA 3.26Å; N162-M169 WeakPolarHBondContact OD1-CA 3.41Å; T167-M169 VanDerWaalsContact C-N 3.34Å; T167-M169 PolarHBondContact OG1-O 3.43Å; M169-V173 HydrophobicContact CG-CB 3.7Å; M169-V173 HydrophobicContact CG-CG1 3.91Å; M169-V173 HydrophobicContact CG-CG2 4.24Å; M169-V173 HydrophobicContact SD-CB 4.33Å; M169-V173 HydrophobicContact SD-CG1 4.31Å; M169-D174 HydrophobicContact SD-CB 4.11Å; M169-F303 HydrophobicContact CG-CE1 4.26Å; M169-F303 HydrophobicContact SD-CD1 4.01Å; M169-F303 HydrophobicContact SD-CE1 3.34Å; M169-F303 WeakPolarHBondContact SD-CE1 3.29Å; M169-F303 HydrophobicContact SD-CZ 3.87Å; M169-L336 HydrophobicContact CB-CD2 4.13Å |
| 170 | T | 95.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.006 | 6% | 0.062 | C | C | . | . | trans | -90.2 | 157.2 | 173.1 | 53.8 | 0 | 0 | 0 | 0 | 111.7 | V157 S159 N162 F164 T167 G172 V173 | V157-T170 HydrophobicContact CB-CG2 3.82Å; V157-T170 HydrophobicContact CG1-CG2 3.34Å; S159-T170 WeakPolarHBondContact O-CB 3.42Å; S159-T170 PolarHBondContact O-OG1 3.43Å; N162-T170 PolarHBondContact OD1-N 3.42Å; F164-T170 HydrophobicContact CB-CG2 4.3Å; T167-T170 HydrophobicContact CG2-CG2 3.54Å; T170-G172 PolarHBondContact O-N 3.22Å; T170-V173 WeakPolarHBondContact O-CG2 3.44Å; T170-V173 PolarHBondContact O-N 2.85Å; T170-V173 WeakPolarHBondContact OG1-CG2 3.39Å | ||
| 171 | I | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | B | Isolated β-bridge | trans | -62.8 | 121.3 | 176.6 | -60.6 | 165.2 | 0 | 0 | 0 | 108.8 | A22 A28 V157 S159 L307 A308 M311 | A22-I171 WeakPolarHBondContact CB-O 3.37Å; A28-I171 HydrophobicContact CB-CD1 4.25Å; V157-I171 PolarHBondContact O-N 2.92Å; S159-I171 CarbonylContact C-O 3.56Å; S159-I171 PolarHBondContact N-O 3.24Å; I171-L307 HydrophobicContact CG1-CD2 4.17Å; I171-L307 HydrophobicContact CG1-CG 4.31Å; I171-A308 HydrophobicContact CD1-CB 3.92Å; I171-A308 HydrophobicContact CG1-CB 4.16Å; I171-A308 HydrophobicContact CG2-CB 3.91Å; I171-M311 HydrophobicContact CD1-SD 3.81Å; I171-M311 HydrophobicContact CG1-SD 3.83Å |
| 172 | G | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 108.2 | -11.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A23 T170 A176 D304 | A23-G172 WeakPolarHBondContact O-CA 3.49Å; A23-G172 PolarHBondContact O-N 2.79Å; T170-G172 PolarHBondContact O-N 3.22Å; G172-A176 WeakPolarHBondContact O-CB 3.4Å; G172-A176 PolarHBondContact O-N 3.08Å; G172-D304 WeakPolarHBondContact CA-OD2 3.1Å; G172-D304 PolarHBondContact N-OD1 3.4Å; G172-D304 PolarHBondContact N-OD2 3.42Å |
| 173 | V | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.5 | -47.7 | 179.9 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | S159 N162 M169 T170 S175 A176 L177 Y209 L210 | S159-V173 WeakPolarHBondContact O-CG2 3.49Å; N162-V173 HydrophobicContact CB-CG1 4.37Å; N162-V173 HydrophobicContact CB-CG2 3.66Å; M169-V173 HydrophobicContact CG-CB 3.7Å; M169-V173 HydrophobicContact CG-CG1 3.91Å; M169-V173 HydrophobicContact CG-CG2 4.24Å; M169-V173 HydrophobicContact SD-CB 4.33Å; M169-V173 HydrophobicContact SD-CG1 4.31Å; T170-V173 WeakPolarHBondContact O-CG2 3.44Å; T170-V173 PolarHBondContact O-N 2.85Å; T170-V173 WeakPolarHBondContact OG1-CG2 3.39Å; V173-S175 VanDerWaalsContact C-N 3.32Å; V173-S175 PolarHBondContact O-N 3.22Å; V173-A176 PolarHBondContact O-N 2.9Å; V173-L177 HydrophobicContact CG1-CD1 4.07Å; V173-L177 WeakPolarHBondContact O-CG 3.25Å; V173-L177 PolarHBondContact O-N 3.43Å; V173-Y209 HydrophobicContact CG1-CD1 3.93Å; V173-Y209 HydrophobicContact CG1-CE1 3.53Å; V173-L210 HydrophobicContact CG1-CD2 4.18Å |
| 174 | D | 97.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.1 | -39.4 | -178.4 | -176.4 | 73.4 | 0 | 0 | 0 | 111.1 | M169 L177 N178 S301 F303 D304 | M169-D174 HydrophobicContact SD-CB 4.11Å; D174-L177 PolarHBondContact O-N 3.46Å; D174-N178 PolarHBondContact O-N 3.46Å; D174-N178 PolarHBondContact O-ND2 3.05Å; D174-N178 PolarHBondContact OD2-ND2 3.3Å; D174-N178 VanDerWaalsContact OD2-ND2 3.15Å; D174-S301 WeakPolarHBondContact OD2-CB 3.24Å; D174-S301 PolarHBondContact OD2-OG 3.45Å; D174-F303 HydrophobicContact CB-CB 4.19Å; D174-F303 HydrophobicContact CB-CD1 3.72Å; D174-F303 HydrophobicContact CB-CG 4.23Å; D174-D304 PolarHBondContact N-OD2 2.94Å |
| 175 | S | 98.2 | Very high | 95.7 | Very high | 5 Ų | 5 | 18 Ų | 18 | 4% | 0.035 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 174 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | A23 V173 L177 N178 R179 P300 S301 D304 | A23-S175 VanDerWaalsContact CB-CB 3.45Å; V173-S175 VanDerWaalsContact C-N 3.32Å; V173-S175 PolarHBondContact O-N 3.22Å; S175-L177 VanDerWaalsContact C-N 3.33Å; S175-L177 PolarHBondContact O-N 3.42Å; S175-N178 WeakPolarHBondContact O-CB 3.29Å; S175-N178 PolarHBondContact O-N 3.14Å; S175-N178 VanDerWaalsContact O-N 3.17Å; S175-R179 WeakPolarHBondContact O-CG 3.27Å; S175-R179 PolarHBondContact O-N 3.34Å; S175-R179 VanDerWaalsContact O-N 3.09Å; S175-P300 WeakPolarHBondContact OG-CA 3.36Å; S175-S301 PolarHBondContact OG-N 3.38Å; S175-D304 WeakPolarHBondContact CB-OD2 3.41Å; S175-D304 PolarHBondContact N-OD2 2.67Å; S175-D304 PolarHBondContact OG-OD2 2.68Å |
| 176 | A | 98.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I160 G172 V173 N178 R179 I180 L210 Q295 | I160-A176 HydrophobicContact CB-CB 3.82Å; I160-A176 HydrophobicContact CG2-CB 3.91Å; G172-A176 WeakPolarHBondContact O-CB 3.4Å; G172-A176 PolarHBondContact O-N 3.08Å; V173-A176 PolarHBondContact O-N 2.9Å; A176-N178 VanDerWaalsContact C-N 3.32Å; A176-N178 PolarHBondContact O-N 2.69Å; A176-R179 WeakPolarHBondContact O-CB 3.21Å; A176-R179 PolarHBondContact O-N 2.91Å; A176-R179 VanDerWaalsContact O-N 3.12Å; A176-I180 WeakPolarHBondContact O-CD1 3.08Å; A176-I180 VanDerWaalsContact O-CG1 3.27Å; A176-I180 WeakPolarHBondContact O-CG1 3.06Å; A176-I180 PolarHBondContact O-N 3.39Å; A176-L210 HydrophobicContact CB-CD1 4.36Å; A176-L210 HydrophobicContact CB-CD2 4.1Å; A176-Q295 WeakPolarHBondContact CA-O 3.35Å; A176-Q295 WeakPolarHBondContact CB-O 3.49Å |
| 177 | L | 98.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.3 | -39.8 | 174.3 | -72.3 | 171.8 | 0 | 0 | 0 | 112.2 | V173 D174 S175 R179 I180 V181 Y209 L210 I213 P673 | V173-L177 HydrophobicContact CG1-CD1 4.07Å; V173-L177 WeakPolarHBondContact O-CG 3.25Å; V173-L177 PolarHBondContact O-N 3.43Å; D174-L177 PolarHBondContact O-N 3.46Å; S175-L177 VanDerWaalsContact C-N 3.33Å; S175-L177 PolarHBondContact O-N 3.42Å; L177-R179 VanDerWaalsContact C-N 3.31Å; L177-R179 PolarHBondContact O-N 3.17Å; L177-I180 HydrophobicContact CD2-CD1 4.35Å; L177-I180 PolarHBondContact O-N 3.35Å; L177-V181 WeakPolarHBondContact O-CB 3.29Å; L177-V181 VanDerWaalsContact O-CG2 3.3Å; L177-V181 WeakPolarHBondContact O-CG2 2.94Å; L177-V181 PolarHBondContact O-N 2.94Å; L177-Y209 HydrophobicContact CD1-CE1 4.47Å; L177-L210 HydrophobicContact CD2-CD2 3.75Å; L177-L210 HydrophobicContact CG-CD2 3.77Å; L177-I213 HydrophobicContact CD1-CB 4.18Å; L177-I213 HydrophobicContact CD1-CG2 3.71Å; L177-I213 HydrophobicContact CD2-CB 3.86Å; L177-I213 HydrophobicContact CD2-CG2 3.9Å; L177-I213 HydrophobicContact CG-CG2 4.46Å; L177-P673 HydrophobicContact CB-CB 3.98Å; L177-P673 HydrophobicContact CB-CG 4.11Å |
| 178 | N | 97.8 | Very high | 95.7 | Very high | 30 Ų | 30 | 20.2 Ų | 20.2 | 16% | 0.16 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.5 | -41.1 | 174.8 | -85.4 | -88.5 | 0 | 0 | 0 | 111.3 | D174 S175 A176 E182 P673 | D174-N178 PolarHBondContact O-N 3.46Å; D174-N178 PolarHBondContact O-ND2 3.05Å; D174-N178 PolarHBondContact OD2-ND2 3.3Å; D174-N178 VanDerWaalsContact OD2-ND2 3.15Å; S175-N178 WeakPolarHBondContact O-CB 3.29Å; S175-N178 PolarHBondContact O-N 3.14Å; S175-N178 VanDerWaalsContact O-N 3.17Å; A176-N178 VanDerWaalsContact C-N 3.32Å; A176-N178 PolarHBondContact O-N 2.69Å; N178-E182 VanDerWaalsContact O-CB 3.29Å; N178-E182 WeakPolarHBondContact O-CB 3.35Å; N178-E182 PolarHBondContact O-N 2.82Å; N178-P673 HydrophobicContact CB-CG 4.35Å; N178-P673 VanDerWaalsContact OD1-CD 3.22Å; N178-P673 WeakPolarHBondContact OD1-CD 3.5Å |
| 179 | R | 97.7 | Very high | 95.6 | Very high | 63 Ų | 63 | 21.3 Ų | 21.3 | 24% | 0.238 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.1 | -41.8 | 176.3 | -60.7 | -62.6 | 92.9 | -150.3 | -6.1 | 112.3 | S175 A176 L177 E182 S183 V294 | S175-R179 WeakPolarHBondContact O-CG 3.27Å; S175-R179 PolarHBondContact O-N 3.34Å; S175-R179 VanDerWaalsContact O-N 3.09Å; A176-R179 WeakPolarHBondContact O-CB 3.21Å; A176-R179 PolarHBondContact O-N 2.91Å; A176-R179 VanDerWaalsContact O-N 3.12Å; L177-R179 VanDerWaalsContact C-N 3.31Å; L177-R179 PolarHBondContact O-N 3.17Å; R179-E182 IonicContact CZ-OE2 3.73Å; R179-E182 VanDerWaalsContact NH1-CD 3.33Å; R179-E182 IonicContact NH1-OE1 3.24Å; R179-E182 PolarHBondContact NH1-OE1 3.2Å; R179-E182 IonicContact NH1-OE2 2.8Å; R179-E182 PolarHBondContact NH1-OE2 3.37Å; R179-E182 IonicContact NH2-OE2 2.71Å; R179-E182 PolarHBondContact NH2-OE2 3.11Å; R179-S183 WeakPolarHBondContact O-CB 3.48Å; R179-S183 PolarHBondContact O-N 3.08Å; R179-S183 VanDerWaalsContact O-N 3.09Å; R179-S183 PolarHBondContact O-OG 3.32Å; R179-V294 VanDerWaalsContact CG-O 3.28Å; R179-V294 WeakPolarHBondContact CG-O 3.46Å |
| 180 | I | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.7 | -51.4 | 178 | -65.9 | 158.1 | 0 | 0 | 0 | 109.9 | A176 L177 E182 S183 I184 V202 L210 A214 L291 Q295 | A176-I180 WeakPolarHBondContact O-CD1 3.08Å; A176-I180 VanDerWaalsContact O-CG1 3.27Å; A176-I180 WeakPolarHBondContact O-CG1 3.06Å; A176-I180 PolarHBondContact O-N 3.39Å; L177-I180 HydrophobicContact CD2-CD1 4.35Å; L177-I180 PolarHBondContact O-N 3.35Å; I180-E182 PolarHBondContact O-N 2.89Å; I180-S183 WeakPolarHBondContact O-CB 3.44Å; I180-S183 PolarHBondContact O-N 3.26Å; I180-S183 VanDerWaalsContact O-N 3.16Å; I180-I184 HydrophobicContact CG2-CD1 3.6Å; I180-I184 HydrophobicContact CG2-CG1 4.31Å; I180-I184 VanDerWaalsContact O-CG1 3.29Å; I180-I184 WeakPolarHBondContact O-CG1 3.09Å; I180-I184 PolarHBondContact O-N 2.92Å; I180-V202 HydrophobicContact CD1-CG1 3.48Å; I180-V202 VanDerWaalsContact CD1-CG1 3.48Å; I180-V202 HydrophobicContact CG1-CG1 4.07Å; I180-V202 HydrophobicContact CG2-CG2 4.04Å; I180-L210 HydrophobicContact CD1-CB 3.96Å; I180-L210 HydrophobicContact CD1-CD1 4.2Å; I180-L210 HydrophobicContact CD1-CD2 4.1Å; I180-L210 HydrophobicContact CD1-CG 4.32Å; I180-A214 HydrophobicContact CG2-CB 3.6Å; I180-L291 HydrophobicContact CB-CD1 4.24Å; I180-L291 HydrophobicContact CG1-CD1 4.01Å; I180-L291 HydrophobicContact CG2-CD1 4.16Å; I180-Q295 HydrophobicContact CG1-CG 3.89Å |
| 181 | V | 96.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.7 | -40.1 | -177.8 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | L177 S183 I184 D185 V217 P673 R676 | L177-V181 WeakPolarHBondContact O-CB 3.29Å; L177-V181 VanDerWaalsContact O-CG2 3.3Å; L177-V181 WeakPolarHBondContact O-CG2 2.94Å; L177-V181 PolarHBondContact O-N 2.94Å; V181-S183 VanDerWaalsContact C-N 3.28Å; V181-S183 PolarHBondContact O-N 3.35Å; V181-I184 PolarHBondContact O-N 2.94Å; V181-D185 WeakPolarHBondContact O-CB 3.5Å; V181-D185 PolarHBondContact O-N 2.86Å; V181-V217 HydrophobicContact CG2-CG2 3.46Å; V181-V217 VanDerWaalsContact CG2-CG2 3.46Å; V181-P673 HydrophobicContact CB-CG 4.06Å; V181-P673 HydrophobicContact CG2-CB 4.16Å; V181-P673 HydrophobicContact CG2-CG 3.86Å; V181-R676 VanDerWaalsContact CG1-NH1 3.29Å |
| 182 | E | 95.5 | Very high | 94.5 | Very high | 103 Ų | 103 | 26.9 Ų | 26.9 | 48% | 0.481 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -58.3 | -43.5 | 173 | -178.8 | 179.5 | 144.3 | 0 | 0 | 111.5 | N178 R179 I180 D185 A186 | N178-E182 VanDerWaalsContact O-CB 3.29Å; N178-E182 WeakPolarHBondContact O-CB 3.35Å; N178-E182 PolarHBondContact O-N 2.82Å; R179-E182 IonicContact CZ-OE2 3.73Å; R179-E182 VanDerWaalsContact NH1-CD 3.33Å; R179-E182 IonicContact NH1-OE1 3.24Å; R179-E182 PolarHBondContact NH1-OE1 3.2Å; R179-E182 IonicContact NH1-OE2 2.8Å; R179-E182 PolarHBondContact NH1-OE2 3.37Å; R179-E182 IonicContact NH2-OE2 2.71Å; R179-E182 PolarHBondContact NH2-OE2 3.11Å; I180-E182 PolarHBondContact O-N 2.89Å; E182-D185 PolarHBondContact O-N 3.39Å; E182-A186 WeakPolarHBondContact O-CB 3.46Å; E182-A186 PolarHBondContact O-N 3.23Å |
| 183 | S | 96.1 | Very high | 94.1 | Very high | 31 Ų | 31 | 30.9 Ų | 30.9 | 22% | 0.217 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.5 | -42 | 179 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | R179 I180 V181 A186 V187 L291 | R179-S183 WeakPolarHBondContact O-CB 3.48Å; R179-S183 PolarHBondContact O-N 3.08Å; R179-S183 VanDerWaalsContact O-N 3.09Å; R179-S183 PolarHBondContact O-OG 3.32Å; I180-S183 WeakPolarHBondContact O-CB 3.44Å; I180-S183 PolarHBondContact O-N 3.26Å; I180-S183 VanDerWaalsContact O-N 3.16Å; V181-S183 VanDerWaalsContact C-N 3.28Å; V181-S183 PolarHBondContact O-N 3.35Å; S183-A186 PolarHBondContact O-N 2.71Å; S183-V187 WeakPolarHBondContact O-CB 3.45Å; S183-V187 VanDerWaalsContact O-CG2 3.3Å; S183-V187 WeakPolarHBondContact O-CG2 3.25Å; S183-V187 PolarHBondContact O-N 2.93Å; S183-L291 VanDerWaalsContact CB-CD2 3.43Å |
| 184 | I | 96 | Very high | 93.6 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.5 | -46.3 | 176.2 | -63.5 | 165.6 | 0 | 0 | 0 | 110.5 | I180 V181 A186 V187 A188 I200 A214 I254 I256 | I180-I184 HydrophobicContact CG2-CD1 3.6Å; I180-I184 HydrophobicContact CG2-CG1 4.31Å; I180-I184 VanDerWaalsContact O-CG1 3.29Å; I180-I184 WeakPolarHBondContact O-CG1 3.09Å; I180-I184 PolarHBondContact O-N 2.92Å; V181-I184 PolarHBondContact O-N 2.94Å; I184-A186 VanDerWaalsContact C-N 3.28Å; I184-A186 PolarHBondContact O-N 2.85Å; I184-V187 PolarHBondContact O-N 3.33Å; I184-A188 VanDerWaalsContact O-CB 3.3Å; I184-A188 WeakPolarHBondContact O-CB 3.42Å; I184-A188 PolarHBondContact O-N 3.28Å; I184-I200 HydrophobicContact CB-CD1 4.26Å; I184-I200 HydrophobicContact CG1-CD1 3.65Å; I184-I200 HydrophobicContact CG1-CG2 4.44Å; I184-I200 HydrophobicContact CG2-CD1 4.28Å; I184-A214 HydrophobicContact CD1-CB 4.22Å; I184-I254 HydrophobicContact CG2-CG2 4.23Å; I184-I256 HydrophobicContact CD1-CD1 3.75Å |
| 185 | D | 93.5 | Very high | 93.1 | Very high | 24 Ų | 24 | 40.9 Ų | 40.9 | 13% | 0.128 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.2 | -39.8 | 178.3 | -76.8 | -7.1 | 0 | 0 | 0 | 110.9 | V181 E182 A188 S189 N670 R676 | V181-D185 WeakPolarHBondContact O-CB 3.5Å; V181-D185 PolarHBondContact O-N 2.86Å; E182-D185 PolarHBondContact O-N 3.39Å; D185-A188 PolarHBondContact O-N 3.23Å; D185-S189 PolarHBondContact O-N 2.96Å; D185-N670 PolarHBondContact OD2-ND2 3.01Å; D185-R676 IonicContact OD1-NH1 2.65Å; D185-R676 PolarHBondContact OD1-NH1 3.18Å; D185-R676 IonicContact OD1-NH2 3.04Å; D185-R676 IonicContact OD2-CZ 2.7Å; D185-R676 IonicContact OD2-NH1 2.98Å; D185-R676 IonicContact OD2-NH2 3.12Å; D185-R676 PolarHBondContact OD2-NH2 2.71Å |
| 186 | A | 93 | Very high | 92.8 | Very high | 58 Ų | 58 | 43.2 Ų | 43.2 | 48% | 0.479 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.1 | -46.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E182 S183 I184 A188 S189 | E182-A186 WeakPolarHBondContact O-CB 3.46Å; E182-A186 PolarHBondContact O-N 3.23Å; S183-A186 PolarHBondContact O-N 2.71Å; I184-A186 VanDerWaalsContact C-N 3.28Å; I184-A186 PolarHBondContact O-N 2.85Å; A186-A188 VanDerWaalsContact C-N 3.34Å; A186-A188 PolarHBondContact O-N 3.14Å; A186-S189 PolarHBondContact O-N 2.86Å; A186-S189 PolarHBondContact O-OG 2.99Å |
| 187 | V | 92.7 | Very high | 92.7 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 12% | 0.115 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -38.8 | 177.3 | 166.4 | 0 | 0 | 0 | 0 | 111.6 | S183 I184 S189 T190 A191 F198 I200 I254 | S183-V187 WeakPolarHBondContact O-CB 3.45Å; S183-V187 VanDerWaalsContact O-CG2 3.3Å; S183-V187 WeakPolarHBondContact O-CG2 3.25Å; S183-V187 PolarHBondContact O-N 2.93Å; I184-V187 PolarHBondContact O-N 3.33Å; V187-S189 PolarHBondContact O-N 2.86Å; V187-T190 WeakPolarHBondContact O-CG2 3.31Å; V187-T190 PolarHBondContact O-N 3.2Å; V187-A191 WeakPolarHBondContact O-CB 2.94Å; V187-A191 PolarHBondContact O-N 3.03Å; V187-F198 HydrophobicContact CG1-CB 3.81Å; V187-F198 HydrophobicContact CG1-CD1 3.3Å; V187-F198 HydrophobicContact CG1-CD2 3.61Å; V187-F198 HydrophobicContact CG1-CE1 3.63Å; V187-F198 HydrophobicContact CG1-CE2 3.93Å; V187-F198 HydrophobicContact CG1-CG 3.27Å; V187-F198 HydrophobicContact CG1-CZ 3.92Å; V187-I200 HydrophobicContact CG1-CD1 4.33Å; V187-I254 HydrophobicContact CG1-CD1 4.49Å |
| 188 | A | 89 | Confident | 92.7 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 12% | 0.124 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -34.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I184 D185 A186 A191 Q192 | I184-A188 VanDerWaalsContact O-CB 3.3Å; I184-A188 WeakPolarHBondContact O-CB 3.42Å; I184-A188 PolarHBondContact O-N 3.28Å; D185-A188 PolarHBondContact O-N 3.23Å; A186-A188 VanDerWaalsContact C-N 3.34Å; A186-A188 PolarHBondContact O-N 3.14Å; A188-A191 PolarHBondContact O-N 2.86Å; A188-Q192 WeakPolarHBondContact O-CB 3.48Å; A188-Q192 PolarHBondContact O-N 2.94Å |
| 189 | S | 87.5 | Confident | 92.7 | Very high | 70 Ų | 70 | 42.1 Ų | 42.1 | 49% | 0.49 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.4 | -47.9 | 179.5 | 70.5 | 0 | 0 | 0 | 0 | 112.2 | D185 A186 V187 Q192 S193 | D185-S189 PolarHBondContact O-N 2.96Å; A186-S189 PolarHBondContact O-N 2.86Å; A186-S189 PolarHBondContact O-OG 2.99Å; V187-S189 PolarHBondContact O-N 2.86Å; S189-Q192 PolarHBondContact O-N 3.12Å; S189-S193 PolarHBondContact O-N 3.44Å; S189-S193 PolarHBondContact O-OG 2.9Å |
| 190 | T | 90.4 | Very high | 92.7 | Very high | 56 Ų | 56 | 39.2 Ų | 39.2 | 34% | 0.344 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.3 | -34 | 175.5 | -176 | 0 | 0 | 0 | 0 | 112.3 | V187 Q192 S193 H194 F198 | V187-T190 WeakPolarHBondContact O-CG2 3.31Å; V187-T190 PolarHBondContact O-N 3.2Å; T190-Q192 VanDerWaalsContact C-N 3.3Å; T190-Q192 PolarHBondContact O-N 3.35Å; T190-S193 PolarHBondContact O-N 3.14Å; T190-H194 PolarHBondContact O-CD2 3.31Å; T190-H194 PolarHBondContact O-N 2.73Å; T190-F198 HydrophobicContact CG2-CZ 4.09Å |
| 191 | A | 88 | Confident | 92.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V187 A188 S193 H194 Q195 R196 F198 V252 | V187-A191 WeakPolarHBondContact O-CB 2.94Å; V187-A191 PolarHBondContact O-N 3.03Å; A188-A191 PolarHBondContact O-N 2.86Å; A191-S193 VanDerWaalsContact C-N 3.33Å; A191-S193 PolarHBondContact O-N 2.94Å; A191-H194 PolarHBondContact O-N 3.38Å; A191-Q195 WeakPolarHBondContact O-CA 3.35Å; A191-Q195 PolarHBondContact O-N 3.42Å; A191-R196 HydrophobicContact CB-CB 4.49Å; A191-R196 PolarHBondContact O-N 3.46Å; A191-F198 HydrophobicContact CB-CD2 3.55Å; A191-F198 HydrophobicContact CB-CE2 3.45Å; A191-F198 VanDerWaalsContact CB-CE2 3.45Å; A191-V252 VanDerWaalsContact C-CG2 3.48Å; A191-V252 HydrophobicContact CB-CB 4.28Å; A191-V252 HydrophobicContact CB-CG1 3.52Å; A191-V252 HydrophobicContact CB-CG2 3.81Å |
| 192 | Q | 86.9 | Confident | 92.8 | Very high | 78 Ų | 78 | 41.3 Ų | 41.3 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.4 | -35.9 | -179.5 | -170.1 | 173.7 | 11.5 | 0 | 0 | 112.4 | A188 S189 T190 R251 V252 | A188-Q192 WeakPolarHBondContact O-CB 3.48Å; A188-Q192 PolarHBondContact O-N 2.94Å; S189-Q192 PolarHBondContact O-N 3.12Å; T190-Q192 VanDerWaalsContact C-N 3.3Å; T190-Q192 PolarHBondContact O-N 3.35Å; Q192-R251 PolarHBondContact O-NE 3.36Å; Q192-R251 PolarHBondContact O-NH2 3.23Å; Q192-V252 HydrophobicContact CB-CG2 3.75Å; Q192-V252 HydrophobicContact CG-CG2 4.39Å |
| 193 | S | 87.9 | Confident | 92.9 | Very high | 84 Ų | 84 | 37.3 Ų | 37.3 | 59% | 0.587 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -64.9 | -44.7 | 175.6 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | S189 T190 A191 R251 | S189-S193 PolarHBondContact O-N 3.44Å; S189-S193 PolarHBondContact O-OG 2.9Å; T190-S193 PolarHBondContact O-N 3.14Å; A191-S193 VanDerWaalsContact C-N 3.33Å; A191-S193 PolarHBondContact O-N 2.94Å; S193-R251 PolarHBondContact O-NH2 2.86Å |
| 194 | H | 86.2 | Confident | 92.8 | Very high | 107 Ų | 107 | 35.8 Ų | 35.8 | 50% | 0.495 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -99.8 | 4.5 | -172.2 | -67.3 | -68.7 | 0 | 0 | 0 | 115.2 | T190 A191 R196 | T190-H194 PolarHBondContact O-CD2 3.31Å; T190-H194 PolarHBondContact O-N 2.73Å; A191-H194 PolarHBondContact O-N 3.38Å; H194-R196 VanDerWaalsContact C-N 3.3Å; H194-R196 HydrophobicContact CB-CG 3.67Å; H194-R196 PolarHBondContact CD2-NH1 3.1Å; H194-R196 PolarHBondContact O-N 2.73Å |
| 195 | Q | 87.8 | Confident | 92.6 | Very high | 104 Ų | 104 | 40.8 Ų | 40.8 | 49% | 0.486 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 41.1 | -174.9 | -57.7 | -171.6 | 35.1 | 0 | 0 | 113.3 | A191 R246 R251 | A191-Q195 WeakPolarHBondContact O-CA 3.35Å; A191-Q195 PolarHBondContact O-N 3.42Å; Q195-R246 VanDerWaalsContact C-NH2 3.35Å; Q195-R246 VanDerWaalsContact O-CZ 3.31Å; Q195-R246 PolarHBondContact O-NH1 3.29Å; Q195-R246 PolarHBondContact O-NH2 3Å; Q195-R251 CarbonylContact C-O 3.52Å; Q195-R251 VanDerWaalsContact C-O 3.3Å; Q195-R251 WeakPolarHBondContact CA-O 3.49Å; Q195-R251 HydrophobicContact CG-CB 4.49Å; Q195-R251 VanDerWaalsContact CG-CZ 3.47Å; Q195-R251 VanDerWaalsContact CG-NH2 3.28Å |
| 196 | R | 92.5 | Very high | 92.5 | Very high | 54 Ų | 54 | 45.9 Ų | 45.9 | 20% | 0.204 | 24% | 0.237 | C | C | . | . | trans | -93.8 | 160 | -170.2 | -75.9 | 176 | 176.8 | 154.1 | 5.2 | 114.3 | A191 H194 F198 R246 N253 D285 | A191-R196 HydrophobicContact CB-CB 4.49Å; A191-R196 PolarHBondContact O-N 3.46Å; H194-R196 VanDerWaalsContact C-N 3.3Å; H194-R196 HydrophobicContact CB-CG 3.67Å; H194-R196 PolarHBondContact CD2-NH1 3.1Å; H194-R196 PolarHBondContact O-N 2.73Å; R196-F198 HydrophobicContact CB-CD2 4.13Å; R196-F198 HydrophobicContact CB-CE2 3.71Å; R196-R246 VanDerWaalsContact C-NH2 3.3Å; R196-R246 PolarHBondContact O-NH2 2.77Å; R196-R246 VanDerWaalsContact O-NH2 3.16Å; R196-N253 PolarHBondContact O-N 3.24Å; R196-D285 HydrophobicContact CG-CB 4.12Å; R196-D285 IonicContact CZ-OD2 3.09Å; R196-D285 IonicContact NE-OD2 3.74Å; R196-D285 PolarHBondContact NE-OD2 3.43Å; R196-D285 IonicContact NH2-OD2 2.79Å; R196-D285 PolarHBondContact NH2-OD2 3.08Å | ||
| 197 | T | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 133.7 | 166.9 | -59.4 | 0 | 0 | 0 | 0 | 109.5 | N253 I255 V278 D285 T286 R287 | T197-N253 CarbonylContact C-O 3.4Å; T197-N253 WeakPolarHBondContact CA-O 3.27Å; T197-N253 HydrophobicContact CG2-CB 3.81Å; T197-N253 PolarHBondContact OG1-OD1 3.2Å; T197-I255 HydrophobicContact CG2-CD1 3.77Å; T197-I255 HydrophobicContact CG2-CG1 4.49Å; T197-V278 HydrophobicContact CG2-CG1 4.24Å; T197-D285 PolarHBondContact N-O 2.79Å; T197-T286 HydrophobicContact CG2-CG2 3.93Å; T197-T286 CarbonylContact O-C 3.28Å; T197-T286 VanDerWaalsContact O-CA 3.26Å; T197-T286 WeakPolarHBondContact O-CA 3.33Å; T197-R287 PolarHBondContact O-N 3.48Å |
| 198 | F | 96.8 | Very high | 92.7 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 6% | 0.057 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.3 | 176 | -80.2 | -96.7 | 0 | 0 | 0 | 110.8 | V187 T190 A191 R196 I200 N253 I254 I255 R287 | V187-F198 HydrophobicContact CG1-CB 3.81Å; V187-F198 HydrophobicContact CG1-CD1 3.3Å; V187-F198 HydrophobicContact CG1-CD2 3.61Å; V187-F198 HydrophobicContact CG1-CE1 3.63Å; V187-F198 HydrophobicContact CG1-CE2 3.93Å; V187-F198 HydrophobicContact CG1-CG 3.27Å; V187-F198 HydrophobicContact CG1-CZ 3.92Å; T190-F198 HydrophobicContact CG2-CZ 4.09Å; A191-F198 HydrophobicContact CB-CD2 3.55Å; A191-F198 HydrophobicContact CB-CE2 3.45Å; A191-F198 VanDerWaalsContact CB-CE2 3.45Å; R196-F198 HydrophobicContact CB-CD2 4.13Å; R196-F198 HydrophobicContact CB-CE2 3.71Å; F198-I200 HydrophobicContact CB-CG1 4.3Å; F198-N253 PolarHBondContact N-O 3Å; F198-I254 HydrophobicContact CB-CD1 4.04Å; F198-I255 PolarHBondContact O-N 2.99Å; F198-R287 WeakPolarHBondContact CA-O 3.21Å; F198-R287 HydrophobicContact CD1-CB 3.86Å; F198-R287 HydrophobicContact CE1-CB 3.69Å; F198-R287 HydrophobicContact CE1-CG 4.34Å; F198-R287 HydrophobicContact CZ-CB 4.26Å; F198-R287 HydrophobicContact CZ-CG 4.49Å |
| 199 | V | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 113 | 168 | -173 | 0 | 0 | 0 | 0 | 107.4 | I255 C257 V274 T286 R287 V288 T289 | V199-I255 CarbonylContact C-O 3.6Å; V199-I255 WeakPolarHBondContact CA-O 3.22Å; V199-I255 HydrophobicContact CG1-CG2 4.45Å; V199-I255 HydrophobicContact CG2-CB 4.37Å; V199-I255 HydrophobicContact CG2-CD1 4.18Å; V199-C257 HydrophobicContact CG1-CB 4.39Å; V199-V274 HydrophobicContact CG1-CB 4.17Å; V199-V274 HydrophobicContact CG1-CG1 4.16Å; V199-V274 HydrophobicContact CG2-CB 4.29Å; V199-V274 HydrophobicContact CG2-CG1 3.8Å; V199-T286 HydrophobicContact CG2-CG2 4.04Å; V199-R287 PolarHBondContact N-O 2.85Å; V199-V288 HydrophobicContact CB-CG2 4.2Å; V199-V288 CarbonylContact O-C 3.52Å; V199-V288 WeakPolarHBondContact O-CA 3.35Å; V199-T289 PolarHBondContact O-N 3.28Å |
| 200 | I | 98 | Very high | 93.5 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 116.7 | -174.6 | -58.1 | 178.4 | 0 | 0 | 0 | 108.3 | I184 V187 F198 V202 I254 I255 I256 C257 T289 L291 | I184-I200 HydrophobicContact CB-CD1 4.26Å; I184-I200 HydrophobicContact CG1-CD1 3.65Å; I184-I200 HydrophobicContact CG1-CG2 4.44Å; I184-I200 HydrophobicContact CG2-CD1 4.28Å; V187-I200 HydrophobicContact CG1-CD1 4.33Å; F198-I200 HydrophobicContact CB-CG1 4.3Å; I200-V202 HydrophobicContact CG2-CG2 4.2Å; I200-I254 HydrophobicContact CD1-CG2 3.96Å; I200-I255 PolarHBondContact N-O 3.42Å; I200-I256 WeakPolarHBondContact O-CA 3.19Å; I200-C257 PolarHBondContact O-N 3.23Å; I200-T289 WeakPolarHBondContact CA-O 3.37Å; I200-L291 HydrophobicContact CG2-CD1 3.98Å; I200-L291 HydrophobicContact CG2-CD2 4.2Å; I200-L291 HydrophobicContact CG2-CG 3.91Å |
| 201 | E | 98.5 | Very high | 93.9 | Very high | 46 Ų | 46 | 36 Ų | 36 | 22% | 0.215 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 124.9 | 178.5 | -167 | 178.5 | 116.3 | 0 | 0 | 110.6 | C257 S271 T289 V290 L291 | E201-C257 WeakPolarHBondContact CA-O 3.43Å; E201-S271 VanDerWaalsContact OE2-CB 3.29Å; E201-S271 WeakPolarHBondContact OE2-CB 3.44Å; E201-S271 PolarHBondContact OE2-OG 3.35Å; E201-T289 PolarHBondContact N-O 3.42Å; E201-V290 HydrophobicContact CB-CB 4.38Å; E201-V290 HydrophobicContact CB-CG1 4.31Å; E201-V290 HydrophobicContact CB-CG2 4.09Å; E201-L291 PolarHBondContact O-N 3.42Å |
| 202 | V | 98.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 141 | -171.7 | 176.5 | 0 | 0 | 0 | 0 | 109.3 | I180 I200 L210 I256 C257 E259 L291 | I180-V202 HydrophobicContact CD1-CG1 3.48Å; I180-V202 VanDerWaalsContact CD1-CG1 3.48Å; I180-V202 HydrophobicContact CG1-CG1 4.07Å; I180-V202 HydrophobicContact CG2-CG2 4.04Å; I200-V202 HydrophobicContact CG2-CG2 4.2Å; V202-L210 HydrophobicContact CG1-CB 3.74Å; V202-I256 HydrophobicContact CB-CG2 4.29Å; V202-I256 HydrophobicContact CG2-CG2 3.7Å; V202-C257 PolarHBondContact N-O 3.32Å; V202-E259 PolarHBondContact O-N 2.87Å; V202-L291 HydrophobicContact CG2-CD1 4.3Å |
| 203 | M | 97.8 | Very high | 94.8 | Very high | 18 Ų | 18 | 32.4 Ų | 32.4 | 9% | 0.089 | 15% | 0.148 | C | C | . | . | trans | -69.5 | 171.9 | 177.5 | -74.7 | 179.8 | 99.3 | 0 | 0 | 111.5 | I160 L210 Q295 R296 | I160-M203 HydrophobicContact CD1-CB 4.03Å; I160-M203 HydrophobicContact CD1-SD 4.09Å; M203-L210 WeakPolarHBondContact O-CD1 3.48Å; M203-Q295 VanDerWaalsContact CG-NE2 3.33Å; M203-Q295 HydrophobicContact SD-CB 4.28Å; M203-R296 HydrophobicContact SD-CG 4.43Å | ||
| 204 | G | 94 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | 150.7 | 2.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D161 R206 C207 E259 | D161-G204 VanDerWaalsContact OD1-CA 3.29Å; D161-G204 WeakPolarHBondContact OD1-CA 3.38Å; G204-R206 PolarHBondContact O-N 3.41Å; G204-C207 CarbonylContact C-O 3.6Å; G204-C207 WeakPolarHBondContact CA-O 3.46Å; G204-C207 WeakPolarHBondContact O-CA 3.22Å; G204-C207 VanDerWaalsContact O-CB 3.31Å; G204-C207 WeakPolarHBondContact O-CB 3.39Å; G204-C207 PolarHBondContact O-N 3.06Å; G204-E259 PolarHBondContact N-OE1 2.93Å | ||
| 205 | R | 91.7 | Very high | 95.7 | Very high | 108 Ų | 108 | 23.4 Ų | 23.4 | 41% | 0.408 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | -100.2 | -176.7 | -173.6 | -167.7 | -69 | 159.4 | -10.6 | 111.5 | D114 D161 D163 E259 G260 | D114-R205 IonicContact OD1-NH1 3.52Å; D114-R205 PolarHBondContact OD1-NH1 2.91Å; D161-R205 IonicContact OD2-CZ 2.69Å; D161-R205 IonicContact OD2-NE 2.68Å; D163-R205 IonicContact OD2-NH1 3.43Å; D163-R205 PolarHBondContact OD2-NH1 3.32Å; D163-R205 VanDerWaalsContact OD2-NH1 3.11Å; R205-E259 VanDerWaalsContact CA-OE1 3.27Å; R205-E259 WeakPolarHBondContact CA-OE1 3.38Å; R205-E259 PolarHBondContact N-OE1 3.3Å; R205-G260 WeakPolarHBondContact O-CA 3.44Å; R205-G260 PolarHBondContact O-N 3.2Å |
| 206 | R | 91.5 | Very high | 96.1 | Very high | 131 Ų | 131 | 18.8 Ų | 18.8 | 49% | 0.494 | 8% | 0.076 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | 24.1 | 175.8 | -69.9 | -171.6 | 172.8 | -158 | -1.4 | 110.9 | G204 D361 R372 | G204-R206 PolarHBondContact O-N 3.41Å; R206-D361 IonicContact CZ-OD1 3.98Å; R206-D361 IonicContact NH1-OD1 3.59Å; R206-D361 PolarHBondContact NH1-OD1 3.28Å; R206-D361 IonicContact NH1-OD2 2.76Å; R206-R372 PolarHBondContact O-NH2 3.01Å |
| 207 | C | 94.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | trans | -122.9 | 126.8 | 175.7 | -167.5 | 0 | 0 | 0 | 0 | 111 | D161 D163 G204 Y209 E227 R372 | D161-C207 WeakPolarHBondContact O-CB 3.37Å; D163-C207 HydrophobicContact CB-CB 3.92Å; G204-C207 CarbonylContact C-O 3.6Å; G204-C207 WeakPolarHBondContact CA-O 3.46Å; G204-C207 WeakPolarHBondContact O-CA 3.22Å; G204-C207 VanDerWaalsContact O-CB 3.31Å; G204-C207 WeakPolarHBondContact O-CB 3.39Å; G204-C207 PolarHBondContact O-N 3.06Å; C207-Y209 VanDerWaalsContact C-N 3.28Å; C207-Y209 PolarHBondContact O-N 3.38Å; C207-E227 VanDerWaalsContact CA-OE1 3.23Å; C207-E227 WeakPolarHBondContact CA-OE1 3.43Å; C207-E227 PolarHBondContact SG-OE1 3.32Å; C207-R372 VanDerWaalsContact SG-CZ 3.56Å | ||
| 208 | G | 95.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -84.1 | 5.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L210 A211 L212 E227 | G208-L210 PolarHBondContact O-N 3.2Å; G208-A211 PolarHBondContact O-N 2.86Å; G208-L212 VanDerWaalsContact O-CB 3.28Å; G208-L212 WeakPolarHBondContact O-CB 3.39Å; G208-L212 PolarHBondContact O-N 3.05Å; G208-E227 VanDerWaalsContact CA-OE2 3.26Å; G208-E227 WeakPolarHBondContact CA-OE2 3.46Å; G208-E227 VanDerWaalsContact N-CD 3.34Å; G208-E227 PolarHBondContact N-OE1 3.41Å; G208-E227 VanDerWaalsContact N-OE1 3.12Å; G208-E227 PolarHBondContact N-OE2 2.95Å | ||
| 209 | Y | 96.4 | Very high | 95.9 | Very high | 9 Ų | 9 | 17.8 Ų | 17.8 | 4% | 0.035 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -56.2 | -51.7 | -172.8 | -175.3 | -88.8 | 0 | 0 | 0 | 112.2 | N162 V173 L177 C207 A211 L212 I213 F376 | N162-Y209 HydrophobicContact CB-CD1 3.75Å; N162-Y209 HydrophobicContact CB-CD2 4.41Å; N162-Y209 HydrophobicContact CB-CE1 4.29Å; N162-Y209 HydrophobicContact CB-CG 3.83Å; N162-Y209 WeakPolarHBondContact ND2-CD2 3.38Å; N162-Y209 WeakPolarHBondContact ND2-CE2 3.45Å; N162-Y209 VanDerWaalsContact ND2-CZ 3.29Å; V173-Y209 HydrophobicContact CG1-CD1 3.93Å; V173-Y209 HydrophobicContact CG1-CE1 3.53Å; L177-Y209 HydrophobicContact CD1-CE1 4.47Å; C207-Y209 VanDerWaalsContact C-N 3.28Å; C207-Y209 PolarHBondContact O-N 3.38Å; Y209-A211 PolarHBondContact O-N 2.58Å; Y209-L212 PolarHBondContact O-N 3.28Å; Y209-I213 HydrophobicContact CD1-CG1 3.98Å; Y209-I213 HydrophobicContact CD2-CG1 4.45Å; Y209-I213 HydrophobicContact CE1-CG1 3.57Å; Y209-I213 HydrophobicContact CE2-CD1 4.31Å; Y209-I213 HydrophobicContact CE2-CG1 4.14Å; Y209-I213 HydrophobicContact CG-CG1 4.4Å; Y209-I213 WeakPolarHBondContact O-CG1 3.34Å; Y209-I213 PolarHBondContact O-N 3.33Å; Y209-F376 AromaticContact CD2-CD2 3.84Å; Y209-F376 HydrophobicContact CD2-CD2 3.84Å; Y209-F376 HydrophobicContact CD2-CE2 4.18Å |
| 210 | L | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 179.7 | -70.9 | 178.5 | 0 | 0 | 0 | 111.7 | I160 V173 A176 L177 I180 V202 M203 G208 L212 A214 | I160-L210 HydrophobicContact CB-CD1 4.47Å; I160-L210 HydrophobicContact CD1-CD1 4.35Å; I160-L210 HydrophobicContact CG1-CD1 4.44Å; I160-L210 WeakPolarHBondContact O-CD1 3.37Å; I160-L210 WeakPolarHBondContact O-CG 3.37Å; V173-L210 HydrophobicContact CG1-CD2 4.18Å; A176-L210 HydrophobicContact CB-CD1 4.36Å; A176-L210 HydrophobicContact CB-CD2 4.1Å; L177-L210 HydrophobicContact CD2-CD2 3.75Å; L177-L210 HydrophobicContact CG-CD2 3.77Å; I180-L210 HydrophobicContact CD1-CB 3.96Å; I180-L210 HydrophobicContact CD1-CD1 4.2Å; I180-L210 HydrophobicContact CD1-CD2 4.1Å; I180-L210 HydrophobicContact CD1-CG 4.32Å; V202-L210 HydrophobicContact CG1-CB 3.74Å; M203-L210 WeakPolarHBondContact O-CD1 3.48Å; G208-L210 PolarHBondContact O-N 3.2Å; L210-L212 PolarHBondContact O-N 3.48Å; L210-A214 WeakPolarHBondContact O-CB 3.28Å; L210-A214 PolarHBondContact O-N 3.19Å |
| 211 | A | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.6 | -41.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G208 Y209 S215 V223 T225 I256 | G208-A211 PolarHBondContact O-N 2.86Å; Y209-A211 PolarHBondContact O-N 2.58Å; A211-S215 WeakPolarHBondContact O-CB 3.45Å; A211-S215 PolarHBondContact O-N 3.49Å; A211-S215 PolarHBondContact O-OG 2.78Å; A211-V223 HydrophobicContact CB-CG2 3.97Å; A211-V223 WeakPolarHBondContact O-CG2 3.4Å; A211-T225 HydrophobicContact CB-CG2 4.23Å; A211-I256 HydrophobicContact CB-CG2 3.8Å |
| 212 | L | 96.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.6 | -45.8 | 179 | 175.7 | 61.4 | 0 | 0 | 0 | 112.2 | G208 Y209 L210 S215 I216 T225 F376 N379 F380 Y383 | G208-L212 VanDerWaalsContact O-CB 3.28Å; G208-L212 WeakPolarHBondContact O-CB 3.39Å; G208-L212 PolarHBondContact O-N 3.05Å; Y209-L212 PolarHBondContact O-N 3.28Å; L210-L212 PolarHBondContact O-N 3.48Å; L212-S215 PolarHBondContact O-N 2.92Å; L212-S215 PolarHBondContact O-OG 3.19Å; L212-I216 HydrophobicContact CD1-CD1 4.37Å; L212-I216 HydrophobicContact CG-CD1 4.43Å; L212-I216 WeakPolarHBondContact O-CG1 3.28Å; L212-I216 PolarHBondContact O-N 3.32Å; L212-T225 HydrophobicContact CB-CG2 4.48Å; L212-F376 HydrophobicContact CD2-CD1 4.35Å; L212-F376 HydrophobicContact CD2-CE1 3.99Å; L212-F376 HydrophobicContact CD2-CE2 4.34Å; L212-F376 HydrophobicContact CD2-CZ 3.97Å; L212-N379 HydrophobicContact CD2-CB 3.98Å; L212-N379 HydrophobicContact CG-CB 4.35Å; L212-F380 HydrophobicContact CD2-CB 4.15Å; L212-Y383 HydrophobicContact CD1-CD1 4.42Å; L212-Y383 HydrophobicContact CD1-CG 4.1Å |
| 213 | I | 97 | Very high | 95.2 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.9 | -44.8 | 177.7 | -60.4 | -51 | 0 | 0 | 0 | 110 | L177 Y209 S215 I216 V217 N379 L677 | L177-I213 HydrophobicContact CD1-CB 4.18Å; L177-I213 HydrophobicContact CD1-CG2 3.71Å; L177-I213 HydrophobicContact CD2-CB 3.86Å; L177-I213 HydrophobicContact CD2-CG2 3.9Å; L177-I213 HydrophobicContact CG-CG2 4.46Å; Y209-I213 HydrophobicContact CD1-CG1 3.98Å; Y209-I213 HydrophobicContact CD2-CG1 4.45Å; Y209-I213 HydrophobicContact CE1-CG1 3.57Å; Y209-I213 HydrophobicContact CE2-CD1 4.31Å; Y209-I213 HydrophobicContact CE2-CG1 4.14Å; Y209-I213 HydrophobicContact CG-CG1 4.4Å; Y209-I213 WeakPolarHBondContact O-CG1 3.34Å; Y209-I213 PolarHBondContact O-N 3.33Å; I213-S215 PolarHBondContact O-N 3.24Å; I213-I216 HydrophobicContact CD1-CD1 4.45Å; I213-I216 PolarHBondContact O-N 3.45Å; I213-I216 VanDerWaalsContact O-N 3.15Å; I213-V217 HydrophobicContact CG2-CG1 4.2Å; I213-V217 WeakPolarHBondContact O-CG2 3.44Å; I213-V217 PolarHBondContact O-N 3.1Å; I213-N379 HydrophobicContact CD1-CB 3.98Å; I213-N379 VanDerWaalsContact CD1-ND2 3.3Å; I213-N379 WeakPolarHBondContact CD1-ND2 3.46Å; I213-L677 HydrophobicContact CD1-CD1 4.26Å; I213-L677 HydrophobicContact CD1-CD2 3.94Å; I213-L677 HydrophobicContact CG2-CD2 3.98Å |
| 214 | A | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -55.2 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I180 I184 L210 I216 V217 S218 I256 | I180-A214 HydrophobicContact CG2-CB 3.6Å; I184-A214 HydrophobicContact CD1-CB 4.22Å; L210-A214 WeakPolarHBondContact O-CB 3.28Å; L210-A214 PolarHBondContact O-N 3.19Å; A214-I216 PolarHBondContact O-N 2.88Å; A214-V217 PolarHBondContact O-N 3.02Å; A214-S218 VanDerWaalsContact O-CB 3.24Å; A214-S218 WeakPolarHBondContact O-CB 3.44Å; A214-S218 PolarHBondContact O-N 3.15Å; A214-S218 PolarHBondContact O-OG 2.72Å; A214-I256 HydrophobicContact CB-CD1 3.79Å |
| 215 | S | 96.2 | Very high | 95.3 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.014 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.7 | -38.6 | 179.6 | 70.2 | 0 | 0 | 0 | 0 | 112.8 | A211 L212 I213 E219 A220 Y383 | A211-S215 WeakPolarHBondContact O-CB 3.45Å; A211-S215 PolarHBondContact O-N 3.49Å; A211-S215 PolarHBondContact O-OG 2.78Å; L212-S215 PolarHBondContact O-N 2.92Å; L212-S215 PolarHBondContact O-OG 3.19Å; I213-S215 PolarHBondContact O-N 3.24Å; S215-E219 PolarHBondContact O-N 3.42Å; S215-E219 VanDerWaalsContact O-N 3.12Å; S215-A220 PolarHBondContact O-N 3.05Å; S215-Y383 WeakPolarHBondContact OG-CD2 3.44Å; S215-Y383 WeakPolarHBondContact OG-CE2 3.32Å |
| 216 | I | 95.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 12.6 Ų | 12.6 | 4% | 0.041 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.2 | -50.4 | 176.4 | -63.7 | 164.1 | 0 | 0 | 0 | 110.7 | L212 I213 A214 S218 N379 Y383 L677 T680 | L212-I216 HydrophobicContact CD1-CD1 4.37Å; L212-I216 HydrophobicContact CG-CD1 4.43Å; L212-I216 WeakPolarHBondContact O-CG1 3.28Å; L212-I216 PolarHBondContact O-N 3.32Å; I213-I216 HydrophobicContact CD1-CD1 4.45Å; I213-I216 PolarHBondContact O-N 3.45Å; I213-I216 VanDerWaalsContact O-N 3.15Å; A214-I216 PolarHBondContact O-N 2.88Å; I216-S218 PolarHBondContact O-N 2.8Å; I216-N379 HydrophobicContact CD1-CB 3.86Å; I216-N379 VanDerWaalsContact CD1-O 3.31Å; I216-N379 WeakPolarHBondContact CD1-O 3.12Å; I216-Y383 HydrophobicContact CG1-CD2 4.41Å; I216-L677 HydrophobicContact CD1-CD1 4.34Å; I216-L677 HydrophobicContact CG2-CD1 4.09Å; I216-T680 HydrophobicContact CG2-CG2 3.94Å |
| 217 | V | 95.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -81.8 | -13.4 | -171.1 | -54.7 | 0 | 0 | 0 | 0 | 114 | V181 I213 A214 T463 P673 R676 L677 | V181-V217 HydrophobicContact CG2-CG2 3.46Å; V181-V217 VanDerWaalsContact CG2-CG2 3.46Å; I213-V217 HydrophobicContact CG2-CG1 4.2Å; I213-V217 WeakPolarHBondContact O-CG2 3.44Å; I213-V217 PolarHBondContact O-N 3.1Å; A214-V217 PolarHBondContact O-N 3.02Å; V217-T463 WeakPolarHBondContact O-CG2 3.21Å; V217-P673 HydrophobicContact CG2-CB 4.49Å; V217-R676 HydrophobicContact CB-CB 3.75Å; V217-R676 HydrophobicContact CG1-CB 3.85Å; V217-R676 VanDerWaalsContact O-CD 3.23Å; V217-R676 WeakPolarHBondContact O-CD 2.94Å; V217-R676 PolarHBondContact O-NH1 3.43Å; V217-L677 HydrophobicContact CG1-CB 3.79Å; V217-L677 HydrophobicContact CG1-CD1 4.47Å |
| 218 | S | 93.8 | Very high | 95.4 | Very high | 19 Ų | 19 | 10.4 Ų | 10.4 | 13% | 0.133 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -107.5 | -0.3 | 174.3 | 67.5 | 0 | 0 | 0 | 0 | 114.2 | A214 I216 A220 | A214-S218 VanDerWaalsContact O-CB 3.24Å; A214-S218 WeakPolarHBondContact O-CB 3.44Å; A214-S218 PolarHBondContact O-N 3.15Å; A214-S218 PolarHBondContact O-OG 2.72Å; I216-S218 PolarHBondContact O-N 2.8Å; S218-A220 VanDerWaalsContact C-N 3.33Å; S218-A220 PolarHBondContact O-N 3.11Å |
| 219 | E | 92.3 | Very high | 95.3 | Very high | 26 Ų | 26 | 10.5 Ų | 10.5 | 12% | 0.121 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 37.7 | -176.5 | -45.1 | -170.6 | -157.5 | 0 | 0 | 114.1 | S215 D221 R423 D461 W462 T463 | S215-E219 PolarHBondContact O-N 3.42Å; S215-E219 VanDerWaalsContact O-N 3.12Å; E219-D221 PolarHBondContact O-N 2.94Å; E219-R423 VanDerWaalsContact CD-NH2 3.26Å; E219-R423 VanDerWaalsContact CG-NH2 3.35Å; E219-R423 VanDerWaalsContact OE1-CD 3.28Å; E219-R423 WeakPolarHBondContact OE1-CD 3.24Å; E219-R423 IonicContact OE1-CZ 3.92Å; E219-R423 IonicContact OE1-NE 3.84Å; E219-R423 PolarHBondContact OE1-NE 3.33Å; E219-R423 VanDerWaalsContact OE1-NE 3.07Å; E219-R423 IonicContact OE2-CZ 3.67Å; E219-R423 IonicContact OE2-NE 3.91Å; E219-R423 PolarHBondContact OE2-NE 2.88Å; E219-R423 IonicContact OE2-NH2 3.48Å; E219-R423 PolarHBondContact OE2-NH2 3.29Å; E219-D461 WeakPolarHBondContact OE1-CA 3.29Å; E219-D461 PolarHBondContact OE1-N 3.17Å; E219-D461 PolarHBondContact OE2-N 3.17Å; E219-W462 PolarHBondContact OE1-N 3.41Å; E219-T463 VanDerWaalsContact CD-OG1 3.26Å; E219-T463 WeakPolarHBondContact CG-OG1 3.26Å; E219-T463 WeakPolarHBondContact OE1-CB 3.37Å; E219-T463 PolarHBondContact OE1-N 2.94Å; E219-T463 PolarHBondContact OE1-OG1 2.8Å |
| 220 | A | 93.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 10.4 Ų | 10.4 | 3% | 0.033 | 5% | 0.049 | C | C | . | . | trans | -60.6 | 139.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | S215 S218 W222 I254 I256 | S215-A220 PolarHBondContact O-N 3.05Å; S218-A220 VanDerWaalsContact C-N 3.33Å; S218-A220 PolarHBondContact O-N 3.11Å; A220-W222 VanDerWaalsContact C-N 3.32Å; A220-W222 PolarHBondContact O-N 3.1Å; A220-I254 HydrophobicContact CB-CB 4.46Å; A220-I254 HydrophobicContact CB-CG2 4.16Å; A220-I256 HydrophobicContact CB-CD1 3.81Å; A220-I256 HydrophobicContact CB-CG1 3.9Å | ||
| 221 | D | 93.2 | Very high | 95 | Very high | 13 Ų | 13 | 12.2 Ų | 12.2 | 7% | 0.07 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -68.7 | -33.2 | 179.3 | -57.4 | -100.2 | 0 | 0 | 0 | 111.9 | E219 K241 L242 S245 N253 I254 | E219-D221 PolarHBondContact O-N 2.94Å; D221-K241 WeakPolarHBondContact O-CD 3.41Å; D221-K241 WeakPolarHBondContact O-CE 3.27Å; D221-K241 PolarHBondContact O-NZ 3.38Å; D221-L242 HydrophobicContact CB-CD2 3.97Å; D221-S245 PolarHBondContact OD1-OG 3.29Å; D221-N253 PolarHBondContact OD1-ND2 3.22Å; D221-N253 WeakPolarHBondContact OD2-CA 3.39Å; D221-I254 PolarHBondContact N-O 2.93Å; D221-I254 PolarHBondContact OD2-N 3.38Å |
| 222 | W | 95.4 | Very high | 94.8 | Very high | 32 Ų | 32 | 19.3 Ų | 19.3 | 12% | 0.121 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 150.2 | 178.2 | -156.3 | -80 | 0 | 0 | 0 | 111.9 | A220 F224 V230 L237 L238 K241 I254 I255 I256 Y383 | A220-W222 VanDerWaalsContact C-N 3.32Å; A220-W222 PolarHBondContact O-N 3.1Å; W222-F224 AromaticContact CD1-CD2 3.78Å; W222-F224 AromaticContact CD1-CE2 3.46Å; W222-F224 VanDerWaalsContact CD1-CE2 3.46Å; W222-F224 AromaticContact CD1-CZ 3.7Å; W222-F224 HydrophobicContact CG-CE2 4.37Å; W222-F224 AromaticContact NE1-CE1 3.91Å; W222-F224 AromaticContact NE1-CE2 3.99Å; W222-F224 AromaticContact NE1-CZ 3.77Å; W222-V230 HydrophobicContact CZ2-CG1 4.24Å; W222-L237 HydrophobicContact CH2-CB 3.92Å; W222-L238 HydrophobicContact CB-CD1 3.68Å; W222-L238 HydrophobicContact CD2-CD1 3.76Å; W222-L238 HydrophobicContact CE3-CD1 3.88Å; W222-L238 HydrophobicContact CG-CD1 3.64Å; W222-K241 HydrophobicContact CE3-CB 4.24Å; W222-K241 HydrophobicContact CE3-CD 3.47Å; W222-K241 VanDerWaalsContact CE3-CD 3.47Å; W222-K241 HydrophobicContact CE3-CG 4.48Å; W222-K241 HydrophobicContact CZ3-CB 4.06Å; W222-K241 HydrophobicContact CZ3-CD 3.65Å; W222-K241 HydrophobicContact CZ3-CG 4.49Å; W222-I254 PolarHBondContact N-O 3.06Å; W222-I255 HydrophobicContact CB-CG1 4.3Å; W222-I255 HydrophobicContact CB-CG2 4.19Å; W222-I255 WeakPolarHBondContact O-CA 3.47Å; W222-I256 PolarHBondContact O-N 2.85Å; W222-Y383 VanDerWaalsContact C-OH 3.28Å; W222-Y383 WeakPolarHBondContact CA-OH 3.25Å |
| 223 | V | 96.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 139.6 | 173.9 | 75.7 | 0 | 0 | 0 | 0 | 109.9 | A211 T225 I256 Y383 | A211-V223 HydrophobicContact CB-CG2 3.97Å; A211-V223 WeakPolarHBondContact O-CG2 3.4Å; V223-T225 HydrophobicContact CG2-CG2 3.95Å; V223-I256 CarbonylContact C-O 3.42Å; V223-I256 VanDerWaalsContact CA-O 3.25Å; V223-I256 WeakPolarHBondContact CA-O 3.22Å; V223-I256 HydrophobicContact CG2-CB 4.21Å; V223-I256 HydrophobicContact CG2-CG2 4.37Å; V223-Y383 HydrophobicContact CB-CE1 4.3Å; V223-Y383 HydrophobicContact CB-CE2 4.33Å; V223-Y383 HydrophobicContact CG1-CD1 3.85Å; V223-Y383 HydrophobicContact CG1-CE1 3.29Å; V223-Y383 HydrophobicContact CG1-CE2 4.07Å; V223-Y383 HydrophobicContact CG1-CG 4.45Å; V223-Y383 VanDerWaalsContact CG1-CZ 3.42Å; V223-Y383 PolarHBondContact N-OH 3.2Å |
| 224 | F | 97.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.009 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 123.4 | 170 | -63.5 | -93.6 | 0 | 0 | 0 | 109.6 | W222 V230 W234 L238 I255 I256 S258 A261 I269 V274 | W222-F224 AromaticContact CD1-CD2 3.78Å; W222-F224 AromaticContact CD1-CE2 3.46Å; W222-F224 VanDerWaalsContact CD1-CE2 3.46Å; W222-F224 AromaticContact CD1-CZ 3.7Å; W222-F224 HydrophobicContact CG-CE2 4.37Å; W222-F224 AromaticContact NE1-CE1 3.91Å; W222-F224 AromaticContact NE1-CE2 3.99Å; W222-F224 AromaticContact NE1-CZ 3.77Å; F224-V230 HydrophobicContact CD1-CG1 3.9Å; F224-V230 HydrophobicContact CD1-CG2 3.97Å; F224-V230 HydrophobicContact CE1-CG1 3.98Å; F224-V230 HydrophobicContact CE1-CG2 3.87Å; F224-W234 HydrophobicContact CE1-CD2 4.05Å; F224-W234 AromaticContact CE1-CE3 3.87Å; F224-W234 HydrophobicContact CE1-CE3 3.87Å; F224-W234 HydrophobicContact CE1-CG 4.44Å; F224-W234 HydrophobicContact CE1-CZ3 4.36Å; F224-W234 HydrophobicContact CZ-CD2 4.38Å; F224-W234 AromaticContact CZ-CE3 3.73Å; F224-W234 HydrophobicContact CZ-CE3 3.73Å; F224-W234 AromaticContact CZ-CZ3 3.94Å; F224-W234 HydrophobicContact CZ-CZ3 3.94Å; F224-L238 HydrophobicContact CZ-CD2 4.34Å; F224-I255 HydrophobicContact CD2-CG2 4.04Å; F224-I255 HydrophobicContact CE2-CG2 3.69Å; F224-I256 PolarHBondContact N-O 2.91Å; F224-S258 VanDerWaalsContact O-CB 3.28Å; F224-S258 WeakPolarHBondContact O-CB 3.41Å; F224-S258 PolarHBondContact O-N 3.12Å; F224-A261 HydrophobicContact CB-CB 3.68Å; F224-I269 HydrophobicContact CD1-CD1 3.75Å; F224-I269 HydrophobicContact CD1-CG2 4.2Å; F224-I269 HydrophobicContact CE1-CD1 3.98Å; F224-I269 HydrophobicContact CE1-CG2 4.26Å; F224-V274 HydrophobicContact CD2-CG2 4.32Å; F224-V274 HydrophobicContact CE2-CG1 4.03Å; F224-V274 HydrophobicContact CE2-CG2 3.74Å; F224-V274 HydrophobicContact CZ-CG1 4.43Å; F224-V274 HydrophobicContact CZ-CG2 3.88Å |
| 225 | T | 95.8 | Very high | 94.6 | Very high | 5 Ų | 5 | 24.2 Ų | 24.2 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | B | Isolated β-bridge | trans | -136.8 | 143.9 | -177 | 53.7 | 0 | 0 | 0 | 0 | 111.2 | A211 L212 V223 E227 W228 | A211-T225 HydrophobicContact CB-CG2 4.23Å; L212-T225 HydrophobicContact CB-CG2 4.48Å; V223-T225 HydrophobicContact CG2-CG2 3.95Å; T225-E227 VanDerWaalsContact C-N 3.32Å; T225-E227 PolarHBondContact O-N 3.08Å; T225-W228 CarbonylContact O-C 3.53Å; T225-W228 VanDerWaalsContact O-C 3.28Å; T225-W228 PolarHBondContact O-N 3.32Å |
| 226 | P | 94.7 | Very high | 94.6 | Very high | 8 Ų | 8 | 28.5 Ų | 28.5 | 5% | 0.052 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -32.9 | 177.6 | 17.5 | -25.3 | 0 | 0 | 0 | 114 | W228 G260 | P226-W228 VanDerWaalsContact C-N 3.29Å; P226-W228 PolarHBondContact O-N 3.22Å; P226-G260 WeakPolarHBondContact CB-O 3.28Å |
| 227 | E | 93.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -21.5 | -178.9 | -63.3 | 88.5 | 166.8 | 0 | 0 | 113.3 | C207 G208 T225 I369 R372 F376 | C207-E227 VanDerWaalsContact CA-OE1 3.23Å; C207-E227 WeakPolarHBondContact CA-OE1 3.43Å; C207-E227 PolarHBondContact SG-OE1 3.32Å; G208-E227 VanDerWaalsContact CA-OE2 3.26Å; G208-E227 WeakPolarHBondContact CA-OE2 3.46Å; G208-E227 VanDerWaalsContact N-CD 3.34Å; G208-E227 PolarHBondContact N-OE1 3.41Å; G208-E227 VanDerWaalsContact N-OE1 3.12Å; G208-E227 PolarHBondContact N-OE2 2.95Å; T225-E227 VanDerWaalsContact C-N 3.32Å; T225-E227 PolarHBondContact O-N 3.08Å; E227-I369 HydrophobicContact CB-CG1 3.96Å; E227-I369 WeakPolarHBondContact O-CD1 3.36Å; E227-R372 HydrophobicContact CG-CG 4.33Å; E227-R372 IonicContact OE1-CZ 3.99Å; E227-R372 IonicContact OE1-NE 3.17Å; E227-R372 PolarHBondContact OE1-NE 2.79Å; E227-R372 IonicContact OE1-NH2 3.18Å; E227-R372 PolarHBondContact OE1-NH2 3.22Å; E227-F376 HydrophobicContact CB-CE1 4.03Å; E227-F376 HydrophobicContact CB-CZ 4.11Å; E227-F376 HydrophobicContact CG-CE1 4.2Å; E227-F376 HydrophobicContact CG-CZ 3.94Å |
| 228 | W | 92.1 | Very high | 94.6 | Very high | 86 Ų | 86 | 31.3 Ų | 31.3 | 33% | 0.326 | 16% | 0.158 | S | C | . | . | B | Isolated β-bridge | trans | -131.6 | 76 | 175.5 | -171.9 | 56 | 0 | 0 | 0 | 110.6 | T225 P226 F380 Y383 | T225-W228 CarbonylContact O-C 3.53Å; T225-W228 VanDerWaalsContact O-C 3.28Å; T225-W228 PolarHBondContact O-N 3.32Å; P226-W228 VanDerWaalsContact C-N 3.29Å; P226-W228 PolarHBondContact O-N 3.22Å; W228-F380 HydrophobicContact CB-CD2 4.22Å; W228-F380 HydrophobicContact CB-CE2 3.46Å; W228-F380 VanDerWaalsContact CB-CE2 3.46Å; W228-F380 HydrophobicContact CB-CZ 4.05Å; W228-F380 AromaticContact CD1-CE2 3.98Å; W228-F380 AromaticContact CD1-CZ 3.64Å; W228-F380 AromaticContact CD2-CE2 3.18Å; W228-F380 HydrophobicContact CD2-CE2 3.18Å; W228-F380 AromaticContact CD2-CZ 3.22Å; W228-F380 HydrophobicContact CD2-CZ 3.22Å; W228-F380 AromaticContact CE2-CE2 3.84Å; W228-F380 AromaticContact CE2-CZ 3.33Å; W228-F380 HydrophobicContact CE3-CD2 4.49Å; W228-F380 AromaticContact CE3-CE2 3.28Å; W228-F380 HydrophobicContact CE3-CE2 3.28Å; W228-F380 AromaticContact CE3-CZ 3.65Å; W228-F380 HydrophobicContact CE3-CZ 3.65Å; W228-F380 HydrophobicContact CG-CD2 4.41Å; W228-F380 AromaticContact CG-CE2 3.27Å; W228-F380 HydrophobicContact CG-CE2 3.27Å; W228-F380 AromaticContact CG-CZ 3.4Å; W228-F380 HydrophobicContact CG-CZ 3.4Å; W228-F380 HydrophobicContact CH2-CE2 4.41Å; W228-F380 HydrophobicContact CH2-CZ 4.06Å; W228-F380 HydrophobicContact CZ2-CE2 4.41Å; W228-F380 AromaticContact CZ2-CZ 3.77Å; W228-F380 HydrophobicContact CZ2-CZ 3.77Å; W228-F380 AromaticContact CZ3-CE2 3.9Å; W228-F380 HydrophobicContact CZ3-CE2 3.9Å; W228-F380 HydrophobicContact CZ3-CZ 4.03Å; W228-F380 AromaticContact NE1-CZ 3.63Å; W228-Y383 HydrophobicContact CZ3-CE1 4.43Å |
| 229 | P | 93.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.013 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 138.8 | -178.9 | 24.3 | -28.9 | 0 | 0 | 0 | 110.9 | T262 D263 Q264 W365 | P229-T262 WeakPolarHBondContact CA-O 3.32Å; P229-T262 VanDerWaalsContact CB-O 3.22Å; P229-T262 WeakPolarHBondContact CB-O 3.27Å; P229-D263 VanDerWaalsContact CB-C 3.44Å; P229-D263 WeakPolarHBondContact CB-O 3.21Å; P229-Q264 HydrophobicContact CB-CG 4.27Å; P229-Q264 HydrophobicContact CG-CG 4.21Å; P229-Q264 WeakPolarHBondContact O-CG 3.44Å; P229-Q264 PolarHBondContact O-NE2 3Å; P229-W365 HydrophobicContact CG-CD2 3.51Å; P229-W365 VanDerWaalsContact CG-CE2 3.4Å; P229-W365 HydrophobicContact CG-CE3 4.05Å; P229-W365 HydrophobicContact CG-CG 3.77Å; P229-W365 HydrophobicContact CG-CH2 4.35Å; P229-W365 HydrophobicContact CG-CZ2 3.85Å; P229-W365 HydrophobicContact CG-CZ3 4.45Å |
| 230 | V | 93.9 | Very high | 94.8 | Very high | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.036 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -72.2 | 152.3 | 178.4 | -65.7 | 0 | 0 | 0 | 0 | 111.1 | W222 F224 W234 D263 Q264 I269 | W222-V230 HydrophobicContact CZ2-CG1 4.24Å; F224-V230 HydrophobicContact CD1-CG1 3.9Å; F224-V230 HydrophobicContact CD1-CG2 3.97Å; F224-V230 HydrophobicContact CE1-CG1 3.98Å; F224-V230 HydrophobicContact CE1-CG2 3.87Å; V230-W234 HydrophobicContact CB-CB 3.69Å; V230-W234 HydrophobicContact CB-CG 4.31Å; V230-W234 HydrophobicContact CG1-CB 4.46Å; V230-W234 HydrophobicContact CG2-CB 3.51Å; V230-W234 HydrophobicContact CG2-CD2 4.45Å; V230-W234 HydrophobicContact CG2-CG 3.57Å; V230-D263 HydrophobicContact CG2-CB 4.37Å; V230-D263 WeakPolarHBondContact O-CA 3.38Å; V230-Q264 WeakPolarHBondContact O-CG 3.5Å; V230-Q264 PolarHBondContact O-N 3.38Å; V230-I269 HydrophobicContact CG2-CD1 3.39Å |
| 231 | P | 94.5 | Very high | 94.8 | Very high | 39 Ų | 39 | 37.2 Ų | 37.2 | 25% | 0.253 | 18% | 0.181 | S | C | . | . | P | Polyproline II helix | trans | -65.6 | 163.3 | 174.1 | 30.6 | -37.4 | 0 | 0 | 0 | 111.4 | N233 W234 L237 | P231-N233 WeakPolarHBondContact CB-OD1 3.49Å; P231-N233 VanDerWaalsContact CG-OD1 3.25Å; P231-N233 WeakPolarHBondContact CG-OD1 3.22Å; P231-N233 PolarHBondContact O-N 3.03Å; P231-W234 VanDerWaalsContact O-CB 3.26Å; P231-W234 WeakPolarHBondContact O-CB 3.48Å; P231-W234 VanDerWaalsContact O-CD1 3.32Å; P231-W234 PolarHBondContact O-N 3.22Å; P231-L237 HydrophobicContact CG-CD1 3.52Å |
| 232 | E | 91.7 | Very high | 94.9 | Very high | 149 Ų | 149 | 36.6 Ų | 36.6 | 70% | 0.696 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -31.4 | -177.9 | -167.8 | 176.3 | -174.6 | 0 | 0 | 112.9 | W234 P235 | E232-W234 PolarHBondContact O-N 3.18Å; E232-P235 WeakPolarHBondContact O-CD 3.41Å |
| 233 | N | 94.6 | Very high | 94.8 | Very high | 84 Ų | 84 | 40.3 Ų | 40.3 | 45% | 0.449 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 18.2 | 175 | 73.4 | -25.3 | 0 | 0 | 0 | 114.2 | P231 P235 D236 L237 | P231-N233 WeakPolarHBondContact CB-OD1 3.49Å; P231-N233 VanDerWaalsContact CG-OD1 3.25Å; P231-N233 WeakPolarHBondContact CG-OD1 3.22Å; P231-N233 PolarHBondContact O-N 3.03Å; N233-P235 VanDerWaalsContact O-N 3.16Å; N233-D236 PolarHBondContact O-N 3.14Å; N233-D236 VanDerWaalsContact O-N 3.11Å; N233-L237 PolarHBondContact O-N 2.84Å |
| 234 | W | 95.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -51.6 | -32 | 176 | 72.7 | -96.5 | 0 | 0 | 0 | 115 | F224 V230 P231 E232 D236 L237 L238 I269 Q273 V274 V277 | F224-W234 HydrophobicContact CE1-CD2 4.05Å; F224-W234 AromaticContact CE1-CE3 3.87Å; F224-W234 HydrophobicContact CE1-CE3 3.87Å; F224-W234 HydrophobicContact CE1-CG 4.44Å; F224-W234 HydrophobicContact CE1-CZ3 4.36Å; F224-W234 HydrophobicContact CZ-CD2 4.38Å; F224-W234 AromaticContact CZ-CE3 3.73Å; F224-W234 HydrophobicContact CZ-CE3 3.73Å; F224-W234 AromaticContact CZ-CZ3 3.94Å; F224-W234 HydrophobicContact CZ-CZ3 3.94Å; V230-W234 HydrophobicContact CB-CB 3.69Å; V230-W234 HydrophobicContact CB-CG 4.31Å; V230-W234 HydrophobicContact CG1-CB 4.46Å; V230-W234 HydrophobicContact CG2-CB 3.51Å; V230-W234 HydrophobicContact CG2-CD2 4.45Å; V230-W234 HydrophobicContact CG2-CG 3.57Å; P231-W234 VanDerWaalsContact O-CB 3.26Å; P231-W234 WeakPolarHBondContact O-CB 3.48Å; P231-W234 VanDerWaalsContact O-CD1 3.32Å; P231-W234 PolarHBondContact O-N 3.22Å; E232-W234 PolarHBondContact O-N 3.18Å; W234-D236 VanDerWaalsContact C-N 3.27Å; W234-D236 PolarHBondContact O-N 3.44Å; W234-L237 PolarHBondContact O-N 3.14Å; W234-L238 HydrophobicContact CE3-CB 4.33Å; W234-L238 HydrophobicContact CE3-CD2 4.15Å; W234-L238 HydrophobicContact CZ3-CD2 3.79Å; W234-L238 VanDerWaalsContact O-CB 3.27Å; W234-L238 WeakPolarHBondContact O-CB 3.1Å; W234-L238 PolarHBondContact O-N 3.04Å; W234-I269 HydrophobicContact CZ2-CG2 4.26Å; W234-Q273 HydrophobicContact CH2-CG 4.35Å; W234-Q273 HydrophobicContact CZ2-CG 4.14Å; W234-V274 HydrophobicContact CH2-CG2 3.96Å; W234-V274 HydrophobicContact CZ3-CG2 4.15Å; W234-V277 HydrophobicContact CH2-CB 4.12Å; W234-V277 HydrophobicContact CH2-CG1 4.38Å; W234-V277 HydrophobicContact CH2-CG2 3.7Å; W234-V277 HydrophobicContact CZ2-CG2 4.36Å; W234-V277 HydrophobicContact CZ3-CB 4.25Å; W234-V277 HydrophobicContact CZ3-CG1 4.07Å; W234-V277 HydrophobicContact CZ3-CG2 4.24Å |
| 235 | P | 96.9 | Very high | 94.1 | Very high | 16 Ų | 16 | 43.1 Ų | 43.1 | 10% | 0.104 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.1 | -39.2 | 177.6 | -29.8 | 41.2 | 0 | 0 | 0 | 112.6 | E232 N233 C239 V277 R281 | E232-P235 WeakPolarHBondContact O-CD 3.41Å; N233-P235 VanDerWaalsContact O-N 3.16Å; P235-C239 VanDerWaalsContact O-CB 3.31Å; P235-C239 WeakPolarHBondContact O-CB 3.17Å; P235-C239 PolarHBondContact O-N 3.15Å; P235-C239 VanDerWaalsContact O-N 3.07Å; P235-C239 PolarHBondContact O-SG 2.99Å; P235-V277 HydrophobicContact CB-CG1 3.65Å; P235-V277 HydrophobicContact CB-CG2 4.25Å; P235-V277 HydrophobicContact CG-CG1 4.48Å; P235-V277 HydrophobicContact CG-CG2 4.36Å; P235-R281 VanDerWaalsContact CB-CZ 3.42Å |
| 236 | D | 96.6 | Very high | 93.8 | Very high | 92 Ų | 92 | 44.6 Ų | 44.6 | 49% | 0.492 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -71 | -43.9 | 177.9 | -69.2 | -65.9 | 0 | 0 | 0 | 111.7 | N233 W234 C239 K240 R281 | N233-D236 PolarHBondContact O-N 3.14Å; N233-D236 VanDerWaalsContact O-N 3.11Å; W234-D236 VanDerWaalsContact C-N 3.27Å; W234-D236 PolarHBondContact O-N 3.44Å; D236-C239 PolarHBondContact O-N 3.41Å; D236-K240 VanDerWaalsContact O-CB 3.27Å; D236-K240 WeakPolarHBondContact O-CB 3.41Å; D236-K240 PolarHBondContact O-N 3.33Å; D236-R281 IonicContact OD1-CZ 3.88Å; D236-R281 IonicContact OD1-NH1 2.76Å; D236-R281 PolarHBondContact OD1-NH1 2.97Å; D236-R281 IonicContact OD2-CZ 3.98Å; D236-R281 IonicContact OD2-NH1 3.22Å; D236-R281 PolarHBondContact OD2-NH1 2.83Å |
| 237 | L | 95 | Very high | 93.5 | Very high | 68 Ų | 68 | 49.7 Ų | 49.7 | 36% | 0.356 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 179.4 | -62.8 | 175.9 | 0 | 0 | 0 | 111.8 | W222 P231 N233 W234 K241 | W222-L237 HydrophobicContact CH2-CB 3.92Å; P231-L237 HydrophobicContact CG-CD1 3.52Å; N233-L237 PolarHBondContact O-N 2.84Å; W234-L237 PolarHBondContact O-N 3.14Å; L237-K241 PolarHBondContact O-N 3.44Å; L237-K241 VanDerWaalsContact O-N 3.09Å |
| 238 | L | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.7 | -55 | 176.1 | 176.6 | 66.4 | 0 | 0 | 0 | 110 | W222 F224 W234 K240 K241 L242 I255 V274 V278 | W222-L238 HydrophobicContact CB-CD1 3.68Å; W222-L238 HydrophobicContact CD2-CD1 3.76Å; W222-L238 HydrophobicContact CE3-CD1 3.88Å; W222-L238 HydrophobicContact CG-CD1 3.64Å; F224-L238 HydrophobicContact CZ-CD2 4.34Å; W234-L238 HydrophobicContact CE3-CB 4.33Å; W234-L238 HydrophobicContact CE3-CD2 4.15Å; W234-L238 HydrophobicContact CZ3-CD2 3.79Å; W234-L238 VanDerWaalsContact O-CB 3.27Å; W234-L238 WeakPolarHBondContact O-CB 3.1Å; W234-L238 PolarHBondContact O-N 3.04Å; L238-K240 VanDerWaalsContact C-N 3.28Å; L238-K240 PolarHBondContact O-N 2.96Å; L238-K241 PolarHBondContact O-N 3.26Å; L238-K241 VanDerWaalsContact O-N 3.13Å; L238-L242 HydrophobicContact CD1-CD1 3.88Å; L238-L242 HydrophobicContact CD1-CD2 4.31Å; L238-L242 HydrophobicContact CD1-CG 3.96Å; L238-L242 HydrophobicContact CD2-CD1 4.47Å; L238-L242 HydrophobicContact CG-CD1 3.86Å; L238-L242 HydrophobicContact CG-CG 4.26Å; L238-L242 VanDerWaalsContact O-CG 3.31Å; L238-L242 WeakPolarHBondContact O-CG 3.42Å; L238-L242 PolarHBondContact O-N 3.49Å; L238-I255 HydrophobicContact CD1-CD1 4.14Å; L238-I255 HydrophobicContact CD1-CG1 4.4Å; L238-I255 HydrophobicContact CD2-CD1 4.38Å; L238-V274 HydrophobicContact CD2-CG1 3.87Å; L238-V278 HydrophobicContact CD2-CG2 3.83Å; L238-V278 HydrophobicContact CG-CG2 4.48Å |
| 239 | C | 96.1 | Very high | 92.6 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -37.5 | -176.2 | -73.1 | 0 | 0 | 0 | 0 | 112.5 | P235 D236 K243 R281 L282 | P235-C239 VanDerWaalsContact O-CB 3.31Å; P235-C239 WeakPolarHBondContact O-CB 3.17Å; P235-C239 PolarHBondContact O-N 3.15Å; P235-C239 VanDerWaalsContact O-N 3.07Å; P235-C239 PolarHBondContact O-SG 2.99Å; D236-C239 PolarHBondContact O-N 3.41Å; C239-K243 VanDerWaalsContact O-CB 3.3Å; C239-K243 WeakPolarHBondContact O-CB 3.26Å; C239-K243 PolarHBondContact O-N 3.41Å; C239-R281 HydrophobicContact CB-CB 4.47Å; C239-L282 HydrophobicContact CB-CD1 4.05Å; C239-L282 HydrophobicContact CB-CD2 4.06Å; C239-L282 HydrophobicContact CB-CG 3.95Å |
| 240 | K | 95 | Very high | 92.2 | Very high | 133 Ų | 133 | 55.6 Ų | 55.6 | 58% | 0.578 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.2 | -51.7 | 173.2 | -179.8 | 178.5 | 174.9 | -180 | 0 | 111.2 | D236 L238 L242 K243 E244 | D236-K240 VanDerWaalsContact O-CB 3.27Å; D236-K240 WeakPolarHBondContact O-CB 3.41Å; D236-K240 PolarHBondContact O-N 3.33Å; L238-K240 VanDerWaalsContact C-N 3.28Å; L238-K240 PolarHBondContact O-N 2.96Å; K240-L242 PolarHBondContact O-N 3.49Å; K240-K243 PolarHBondContact O-N 3.49Å; K240-E244 WeakPolarHBondContact CE-OE1 3.48Å; K240-E244 WeakPolarHBondContact CG-OE1 3.22Å; K240-E244 WeakPolarHBondContact O-CG 3.34Å; K240-E244 PolarHBondContact O-N 3.15Å |
| 241 | K | 93 | Very high | 91.9 | Very high | 29 Ų | 29 | 60.1 Ų | 60.1 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | -178.2 | -168.4 | -175.4 | -171.6 | 178.8 | 0 | 112.2 | D221 W222 L237 L238 K243 E244 S245 S387 M389 | D221-K241 WeakPolarHBondContact O-CD 3.41Å; D221-K241 WeakPolarHBondContact O-CE 3.27Å; D221-K241 PolarHBondContact O-NZ 3.38Å; W222-K241 HydrophobicContact CE3-CB 4.24Å; W222-K241 HydrophobicContact CE3-CD 3.47Å; W222-K241 VanDerWaalsContact CE3-CD 3.47Å; W222-K241 HydrophobicContact CE3-CG 4.48Å; W222-K241 HydrophobicContact CZ3-CB 4.06Å; W222-K241 HydrophobicContact CZ3-CD 3.65Å; W222-K241 HydrophobicContact CZ3-CG 4.49Å; L237-K241 PolarHBondContact O-N 3.44Å; L237-K241 VanDerWaalsContact O-N 3.09Å; L238-K241 PolarHBondContact O-N 3.26Å; L238-K241 VanDerWaalsContact O-N 3.13Å; K241-K243 VanDerWaalsContact C-N 3.35Å; K241-E244 PolarHBondContact O-N 3.34Å; K241-S245 WeakPolarHBondContact O-CB 3.39Å; K241-S245 PolarHBondContact O-N 3.24Å; K241-S387 WeakPolarHBondContact CE-O 3.27Å; K241-S387 PolarHBondContact NZ-O 3.48Å; K241-S387 PolarHBondContact NZ-OG 2.97Å; K241-M389 HydrophobicContact CG-CG 4.34Å |
| 242 | L | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 179.1 | -63.8 | 179.8 | 0 | 0 | 0 | 111.9 | D221 L238 K240 S245 R246 N253 I255 V278 L282 Y284 | D221-L242 HydrophobicContact CB-CD2 3.97Å; L238-L242 HydrophobicContact CD1-CD1 3.88Å; L238-L242 HydrophobicContact CD1-CD2 4.31Å; L238-L242 HydrophobicContact CD1-CG 3.96Å; L238-L242 HydrophobicContact CD2-CD1 4.47Å; L238-L242 HydrophobicContact CG-CD1 3.86Å; L238-L242 HydrophobicContact CG-CG 4.26Å; L238-L242 VanDerWaalsContact O-CG 3.31Å; L238-L242 WeakPolarHBondContact O-CG 3.42Å; L238-L242 PolarHBondContact O-N 3.49Å; K240-L242 PolarHBondContact O-N 3.49Å; L242-S245 WeakPolarHBondContact O-CB 3.29Å; L242-S245 PolarHBondContact O-N 3.12Å; L242-R246 WeakPolarHBondContact O-CG 3.45Å; L242-R246 PolarHBondContact O-N 2.97Å; L242-N253 HydrophobicContact CD2-CB 3.8Å; L242-I255 HydrophobicContact CD1-CD1 3.89Å; L242-I255 HydrophobicContact CD2-CD1 4.38Å; L242-I255 HydrophobicContact CD2-CG1 4.4Å; L242-V278 HydrophobicContact CD1-CG1 4.07Å; L242-V278 HydrophobicContact CD1-CG2 3.66Å; L242-L282 HydrophobicContact CB-CD1 3.79Å; L242-L282 HydrophobicContact CD1-CD1 4.24Å; L242-Y284 HydrophobicContact CB-CE2 4.46Å |
| 243 | K | 94.1 | Very high | 91.8 | Very high | 110 Ų | 110 | 52.4 Ų | 52.4 | 48% | 0.478 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.6 | -48.6 | 176.2 | -176.4 | 175.4 | 178.2 | 177.3 | 0 | 111.3 | C239 K240 K241 S245 R246 D247 L282 | C239-K243 VanDerWaalsContact O-CB 3.3Å; C239-K243 WeakPolarHBondContact O-CB 3.26Å; C239-K243 PolarHBondContact O-N 3.41Å; K240-K243 PolarHBondContact O-N 3.49Å; K241-K243 VanDerWaalsContact C-N 3.35Å; K243-S245 VanDerWaalsContact C-N 3.29Å; K243-S245 PolarHBondContact O-N 3.36Å; K243-R246 PolarHBondContact O-N 3.16Å; K243-R246 VanDerWaalsContact O-N 3.13Å; K243-D247 PolarHBondContact O-N 3.42Å; K243-L282 HydrophobicContact CB-CD2 4.09Å |
| 244 | E | 90.6 | Very high | 91.9 | Very high | 64 Ų | 64 | 48.9 Ų | 48.9 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -55.4 | -47.1 | 175.1 | -72.2 | 171.4 | -177.8 | 0 | 0 | 110.6 | K240 K241 R246 D247 Y248 M389 | K240-E244 WeakPolarHBondContact CE-OE1 3.48Å; K240-E244 WeakPolarHBondContact CG-OE1 3.22Å; K240-E244 WeakPolarHBondContact O-CG 3.34Å; K240-E244 PolarHBondContact O-N 3.15Å; K241-E244 PolarHBondContact O-N 3.34Å; E244-R246 VanDerWaalsContact C-N 3.35Å; E244-R246 PolarHBondContact O-N 2.7Å; E244-D247 PolarHBondContact O-N 3.04Å; E244-Y248 WeakPolarHBondContact O-CD2 3.46Å; E244-Y248 PolarHBondContact O-N 3.3Å; E244-M389 HydrophobicContact CB-CG 4.39Å |
| 245 | S | 88.8 | Confident | 91.9 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -51.2 | -48.5 | 174.3 | 162 | 0 | 0 | 0 | 0 | 113.6 | D221 K241 L242 K243 Y248 Q250 N253 M389 | D221-S245 PolarHBondContact OD1-OG 3.29Å; K241-S245 WeakPolarHBondContact O-CB 3.39Å; K241-S245 PolarHBondContact O-N 3.24Å; L242-S245 WeakPolarHBondContact O-CB 3.29Å; L242-S245 PolarHBondContact O-N 3.12Å; K243-S245 VanDerWaalsContact C-N 3.29Å; K243-S245 PolarHBondContact O-N 3.36Å; S245-Y248 PolarHBondContact O-N 2.96Å; S245-Q250 VanDerWaalsContact CB-OE1 3.26Å; S245-Q250 WeakPolarHBondContact O-CB 3.39Å; S245-Q250 PolarHBondContact O-N 3.22Å; S245-Q250 VanDerWaalsContact O-N 3.14Å; S245-Q250 WeakPolarHBondContact OG-CB 3.48Å; S245-Q250 PolarHBondContact OG-OE1 3.38Å; S245-N253 PolarHBondContact OG-ND2 2.86Å; S245-M389 VanDerWaalsContact CA-CE 3.46Å |
| 246 | R | 88.9 | Confident | 92 | Very high | 35 Ų | 35 | 47.9 Ų | 47.9 | 13% | 0.132 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.4 | -40.8 | 177.1 | -67.4 | -48.7 | -171 | 120 | 1.5 | 113.3 | Q195 R196 L242 K243 E244 Y248 G249 Q250 R251 N253 Y284 | Q195-R246 VanDerWaalsContact C-NH2 3.35Å; Q195-R246 VanDerWaalsContact O-CZ 3.31Å; Q195-R246 PolarHBondContact O-NH1 3.29Å; Q195-R246 PolarHBondContact O-NH2 3Å; R196-R246 VanDerWaalsContact C-NH2 3.3Å; R196-R246 PolarHBondContact O-NH2 2.77Å; R196-R246 VanDerWaalsContact O-NH2 3.16Å; L242-R246 WeakPolarHBondContact O-CG 3.45Å; L242-R246 PolarHBondContact O-N 2.97Å; K243-R246 PolarHBondContact O-N 3.16Å; K243-R246 VanDerWaalsContact O-N 3.13Å; E244-R246 VanDerWaalsContact C-N 3.35Å; E244-R246 PolarHBondContact O-N 2.7Å; R246-Y248 PolarHBondContact O-N 3.49Å; R246-G249 WeakPolarHBondContact O-CA 3.48Å; R246-G249 PolarHBondContact O-N 3.23Å; R246-Q250 WeakPolarHBondContact CD-O 3.27Å; R246-R251 PolarHBondContact NH1-O 3.09Å; R246-R251 PolarHBondContact NH2-O 3.06Å; R246-N253 PolarHBondContact NE-OD1 3.46Å; R246-Y284 HydrophobicContact CB-CE2 4.49Å; R246-Y284 WeakPolarHBondContact CB-OH 3.39Å; R246-Y284 HydrophobicContact CG-CD2 4.45Å; R246-Y284 HydrophobicContact CG-CE2 3.48Å; R246-Y284 VanDerWaalsContact CG-CE2 3.48Å; R246-Y284 VanDerWaalsContact CG-OH 3.31Å; R246-Y284 WeakPolarHBondContact CG-OH 3.38Å |
| 247 | D | 89.1 | Confident | 92.1 | Very high | 115 Ų | 115 | 43.6 Ų | 43.6 | 62% | 0.615 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -62.2 | -30.4 | 179.5 | -67.5 | -16.5 | 0 | 0 | 0 | 111.1 | K243 E244 G249 | K243-D247 PolarHBondContact O-N 3.42Å; E244-D247 PolarHBondContact O-N 3.04Å; D247-G249 VanDerWaalsContact C-N 3.28Å; D247-G249 PolarHBondContact O-N 3Å |
| 248 | Y | 83 | Confident | 92.2 | Very high | 123 Ų | 123 | 40.4 Ų | 40.4 | 48% | 0.482 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 0.4 | 172.6 | -81.9 | -76.8 | 0 | 0 | 0 | 115 | E244 S245 R246 M389 H390 H457 | E244-Y248 WeakPolarHBondContact O-CD2 3.46Å; E244-Y248 PolarHBondContact O-N 3.3Å; S245-Y248 PolarHBondContact O-N 2.96Å; R246-Y248 PolarHBondContact O-N 3.49Å; Y248-M389 HydrophobicContact CD2-CE 4.35Å; Y248-H390 AromaticContact CD2-CE1 3.67Å; Y248-H390 AromaticContact CE1-CE1 3.74Å; Y248-H390 AromaticContact CE2-CE1 2.99Å; Y248-H390 WeakPolarHBondContact CE2-CE1 3.49Å; Y248-H390 AromaticContact CE2-NE2 3.16Å; Y248-H390 WeakPolarHBondContact CE2-NE2 3.47Å; Y248-H390 AromaticContact CZ-CE1 3Å; Y248-H390 AromaticContact CZ-NE2 3.4Å; Y248-H390 PolarHBondContact OH-CE1 3.03Å; Y248-H390 PolarHBondContact OH-NE2 3.49Å; Y248-H390 VanDerWaalsContact OH-NE2 3.14Å; Y248-H457 AromaticContact CD1-CE1 3.58Å; Y248-H457 AromaticContact CD1-NE2 3.47Å; Y248-H457 WeakPolarHBondContact CD1-NE2 3.34Å; Y248-H457 AromaticContact CE1-CE1 3.93Å; Y248-H457 AromaticContact CG-NE2 3.54Å |
| 249 | G | 84 | Confident | 92.2 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 58% | 0.577 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 95.5 | 6.1 | 174 | 0 | 0 | 0 | 0 | 0 | 115.2 | R246 D247 R251 | R246-G249 WeakPolarHBondContact O-CA 3.48Å; R246-G249 PolarHBondContact O-N 3.23Å; D247-G249 VanDerWaalsContact C-N 3.28Å; D247-G249 PolarHBondContact O-N 3Å; G249-R251 PolarHBondContact O-N 3.43Å |
| 250 | Q | 85.1 | Confident | 92.1 | Very high | 33 Ų | 33 | 44.8 Ų | 44.8 | 15% | 0.154 | 22% | 0.22 | C | C | . | . | trans | -63.5 | 129.2 | 168.5 | -72.7 | -175.3 | -61.3 | 0 | 0 | 109.1 | S245 R246 I460 | S245-Q250 VanDerWaalsContact CB-OE1 3.26Å; S245-Q250 WeakPolarHBondContact O-CB 3.39Å; S245-Q250 PolarHBondContact O-N 3.22Å; S245-Q250 VanDerWaalsContact O-N 3.14Å; S245-Q250 WeakPolarHBondContact OG-CB 3.48Å; S245-Q250 PolarHBondContact OG-OE1 3.38Å; R246-Q250 WeakPolarHBondContact CD-O 3.27Å; Q250-I460 HydrophobicContact CG-CD1 4.12Å | ||
| 251 | R | 87.3 | Confident | 92.2 | Very high | 102 Ų | 102 | 38.6 Ų | 38.6 | 39% | 0.385 | 19% | 0.194 | S | C | . | . | trans | -89.9 | -17.8 | -179.4 | -65.4 | 178.1 | 58.6 | 77.6 | 1.1 | 112.5 | Q192 S193 Q195 R246 G249 | Q192-R251 PolarHBondContact O-NE 3.36Å; Q192-R251 PolarHBondContact O-NH2 3.23Å; S193-R251 PolarHBondContact O-NH2 2.86Å; Q195-R251 CarbonylContact C-O 3.52Å; Q195-R251 VanDerWaalsContact C-O 3.3Å; Q195-R251 WeakPolarHBondContact CA-O 3.49Å; Q195-R251 HydrophobicContact CG-CB 4.49Å; Q195-R251 VanDerWaalsContact CG-CZ 3.47Å; Q195-R251 VanDerWaalsContact CG-NH2 3.28Å; R246-R251 PolarHBondContact NH1-O 3.09Å; R246-R251 PolarHBondContact NH2-O 3.06Å; G249-R251 PolarHBondContact O-N 3.43Å | ||
| 252 | V | 90.9 | Very high | 92.2 | Very high | 25 Ų | 25 | 38.6 Ų | 38.6 | 15% | 0.152 | 20% | 0.196 | C | C | . | . | trans | -125.8 | 140.7 | -173.3 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | A191 Q192 I254 | A191-V252 VanDerWaalsContact C-CG2 3.48Å; A191-V252 HydrophobicContact CB-CB 4.28Å; A191-V252 HydrophobicContact CB-CG1 3.52Å; A191-V252 HydrophobicContact CB-CG2 3.81Å; Q192-V252 HydrophobicContact CB-CG2 3.75Å; Q192-V252 HydrophobicContact CG-CG2 4.39Å; V252-I254 HydrophobicContact CG1-CD1 3.69Å; V252-I254 HydrophobicContact CG1-CG1 3.92Å | ||
| 253 | N | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.5 | 160.7 | -60.6 | 119.7 | 0 | 0 | 0 | 110.4 | R196 T197 F198 D221 L242 S245 R246 | R196-N253 PolarHBondContact O-N 3.24Å; T197-N253 CarbonylContact C-O 3.4Å; T197-N253 WeakPolarHBondContact CA-O 3.27Å; T197-N253 HydrophobicContact CG2-CB 3.81Å; T197-N253 PolarHBondContact OG1-OD1 3.2Å; F198-N253 PolarHBondContact N-O 3Å; D221-N253 PolarHBondContact OD1-ND2 3.22Å; D221-N253 WeakPolarHBondContact OD2-CA 3.39Å; L242-N253 HydrophobicContact CD2-CB 3.8Å; S245-N253 PolarHBondContact OG-ND2 2.86Å; R246-N253 PolarHBondContact NE-OD1 3.46Å |
| 254 | I | 95.1 | Very high | 92.2 | Very high | 11 Ų | 11 | 38.4 Ų | 38.4 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122.2 | 173.9 | -57.4 | -57.8 | 0 | 0 | 0 | 108.4 | I184 V187 F198 I200 A220 D221 W222 V252 I256 | I184-I254 HydrophobicContact CG2-CG2 4.23Å; V187-I254 HydrophobicContact CG1-CD1 4.49Å; F198-I254 HydrophobicContact CB-CD1 4.04Å; I200-I254 HydrophobicContact CD1-CG2 3.96Å; A220-I254 HydrophobicContact CB-CB 4.46Å; A220-I254 HydrophobicContact CB-CG2 4.16Å; D221-I254 PolarHBondContact N-O 2.93Å; D221-I254 PolarHBondContact OD2-N 3.38Å; W222-I254 PolarHBondContact N-O 3.06Å; V252-I254 HydrophobicContact CG1-CD1 3.69Å; V252-I254 HydrophobicContact CG1-CG1 3.92Å; I254-I256 HydrophobicContact CG2-CG1 4.16Å |
| 255 | I | 97.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 126 | 175.1 | -59.2 | 161.5 | 0 | 0 | 0 | 107 | T197 F198 V199 I200 W222 F224 L238 L242 V274 V278 | T197-I255 HydrophobicContact CG2-CD1 3.77Å; T197-I255 HydrophobicContact CG2-CG1 4.49Å; F198-I255 PolarHBondContact O-N 2.99Å; V199-I255 CarbonylContact C-O 3.6Å; V199-I255 WeakPolarHBondContact CA-O 3.22Å; V199-I255 HydrophobicContact CG1-CG2 4.45Å; V199-I255 HydrophobicContact CG2-CB 4.37Å; V199-I255 HydrophobicContact CG2-CD1 4.18Å; I200-I255 PolarHBondContact N-O 3.42Å; W222-I255 HydrophobicContact CB-CG1 4.3Å; W222-I255 HydrophobicContact CB-CG2 4.19Å; W222-I255 WeakPolarHBondContact O-CA 3.47Å; F224-I255 HydrophobicContact CD2-CG2 4.04Å; F224-I255 HydrophobicContact CE2-CG2 3.69Å; L238-I255 HydrophobicContact CD1-CD1 4.14Å; L238-I255 HydrophobicContact CD1-CG1 4.4Å; L238-I255 HydrophobicContact CD2-CD1 4.38Å; L242-I255 HydrophobicContact CD1-CD1 3.89Å; L242-I255 HydrophobicContact CD2-CD1 4.38Å; L242-I255 HydrophobicContact CD2-CG1 4.4Å; I255-V274 HydrophobicContact CD1-CG1 4.13Å; I255-V274 HydrophobicContact CG2-CG1 4.02Å; I255-V278 HydrophobicContact CD1-CG2 4.13Å |
| 256 | I | 98 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.6 | 178.6 | -60.3 | -178.4 | 0 | 0 | 0 | 109.2 | I184 I200 V202 A211 A214 A220 W222 V223 F224 I254 | I184-I256 HydrophobicContact CD1-CD1 3.75Å; I200-I256 WeakPolarHBondContact O-CA 3.19Å; V202-I256 HydrophobicContact CB-CG2 4.29Å; V202-I256 HydrophobicContact CG2-CG2 3.7Å; A211-I256 HydrophobicContact CB-CG2 3.8Å; A214-I256 HydrophobicContact CB-CD1 3.79Å; A220-I256 HydrophobicContact CB-CD1 3.81Å; A220-I256 HydrophobicContact CB-CG1 3.9Å; W222-I256 PolarHBondContact O-N 2.85Å; V223-I256 CarbonylContact C-O 3.42Å; V223-I256 VanDerWaalsContact CA-O 3.25Å; V223-I256 WeakPolarHBondContact CA-O 3.22Å; V223-I256 HydrophobicContact CG2-CB 4.21Å; V223-I256 HydrophobicContact CG2-CG2 4.37Å; F224-I256 PolarHBondContact N-O 2.91Å; I254-I256 HydrophobicContact CG2-CG1 4.16Å |
| 257 | C | 97.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 118.3 | 178 | -164.6 | 0 | 0 | 0 | 0 | 109.4 | V199 I200 E201 V202 | V199-C257 HydrophobicContact CG1-CB 4.39Å; I200-C257 PolarHBondContact O-N 3.23Å; E201-C257 WeakPolarHBondContact CA-O 3.43Å; V202-C257 PolarHBondContact N-O 3.32Å |
| 258 | S | 97.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 143.1 | 166.1 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | F224 G260 A261 | F224-S258 VanDerWaalsContact O-CB 3.28Å; F224-S258 WeakPolarHBondContact O-CB 3.41Å; F224-S258 PolarHBondContact O-N 3.12Å; S258-G260 PolarHBondContact O-N 2.95Å; S258-G260 VanDerWaalsContact O-N 3.14Å; S258-G260 PolarHBondContact OG-N 2.84Å; S258-A261 WeakPolarHBondContact O-CB 3.44Å; S258-A261 PolarHBondContact O-N 2.87Å |
| 259 | E | 95.7 | Very high | 93.3 | Very high | 86 Ų | 86 | 37.2 Ų | 37.2 | 40% | 0.402 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.6 | 173.5 | 69.9 | -175.8 | 165.9 | 0 | 0 | 113.2 | V202 G204 R205 | V202-E259 PolarHBondContact O-N 2.87Å; G204-E259 PolarHBondContact N-OE1 2.93Å; R205-E259 VanDerWaalsContact CA-OE1 3.27Å; R205-E259 WeakPolarHBondContact CA-OE1 3.38Å; R205-E259 PolarHBondContact N-OE1 3.3Å |
| 260 | G | 95 | Very high | 93.9 | Very high | 17 Ų | 17 | 37.4 Ų | 37.4 | 18% | 0.175 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 12.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R205 P226 S258 | R205-G260 WeakPolarHBondContact O-CA 3.44Å; R205-G260 PolarHBondContact O-N 3.2Å; P226-G260 WeakPolarHBondContact CB-O 3.28Å; S258-G260 PolarHBondContact O-N 2.95Å; S258-G260 VanDerWaalsContact O-N 3.14Å; S258-G260 PolarHBondContact OG-N 2.84Å |
| 261 | A | 96 | Very high | 94.5 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.017 | 21% | 0.207 | C | C | . | . | trans | -63 | 134.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F224 S258 A268 I269 | F224-A261 HydrophobicContact CB-CB 3.68Å; S258-A261 WeakPolarHBondContact O-CB 3.44Å; S258-A261 PolarHBondContact O-N 2.87Å; A261-A268 WeakPolarHBondContact O-CA 3.39Å; A261-I269 HydrophobicContact CB-CB 4.34Å; A261-I269 PolarHBondContact O-N 2.97Å | ||
| 262 | T | 94.6 | Very high | 95 | Very high | 30 Ų | 30 | 35.4 Ų | 35.4 | 18% | 0.184 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -135.2 | 159.9 | 175.3 | 60.9 | 0 | 0 | 0 | 0 | 111.6 | P229 K267 | P229-T262 WeakPolarHBondContact CA-O 3.32Å; P229-T262 VanDerWaalsContact CB-O 3.22Å; P229-T262 WeakPolarHBondContact CB-O 3.27Å; T262-K267 CarbonylContact C-O 3.09Å; T262-K267 VanDerWaalsContact CA-O 3.23Å; T262-K267 WeakPolarHBondContact CA-O 3.41Å |
| 263 | D | 94.5 | Very high | 95.2 | Very high | 10 Ų | 10 | 37.1 Ų | 37.1 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -85.9 | 175.7 | 162.3 | 69 | 24.1 | 0 | 0 | 0 | 111.6 | P229 V230 T265 G266 K267 I269 | P229-D263 VanDerWaalsContact CB-C 3.44Å; P229-D263 WeakPolarHBondContact CB-O 3.21Å; V230-D263 HydrophobicContact CG2-CB 4.37Å; V230-D263 WeakPolarHBondContact O-CA 3.38Å; D263-T265 PolarHBondContact O-N 3.41Å; D263-T265 WeakPolarHBondContact OD1-CA 3.4Å; D263-T265 WeakPolarHBondContact OD1-CB 3.15Å; D263-T265 PolarHBondContact OD1-N 3.31Å; D263-T265 PolarHBondContact OD1-OG1 3.26Å; D263-T265 PolarHBondContact OD2-OG1 2.92Å; D263-G266 WeakPolarHBondContact O-CA 3.22Å; D263-G266 PolarHBondContact O-N 3.22Å; D263-G266 PolarHBondContact OD1-N 3.2Å; D263-G266 VanDerWaalsContact OD1-N 3.12Å; D263-K267 PolarHBondContact N-O 3.34Å; D263-K267 PolarHBondContact OD1-N 3.01Å; D263-K267 WeakPolarHBondContact OD2-CB 3.43Å; D263-I269 HydrophobicContact CB-CD1 4.07Å; D263-I269 HydrophobicContact CB-CG1 4.45Å |
| 264 | Q | 93.1 | Very high | 95.4 | Very high | 95 Ų | 95 | 37.1 Ų | 37.1 | 44% | 0.444 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19.7 | -179.4 | -75.1 | 173.9 | -1.2 | 0 | 0 | 113.7 | P229 V230 G266 | P229-Q264 HydrophobicContact CB-CG 4.27Å; P229-Q264 HydrophobicContact CG-CG 4.21Å; P229-Q264 WeakPolarHBondContact O-CG 3.44Å; P229-Q264 PolarHBondContact O-NE2 3Å; V230-Q264 WeakPolarHBondContact O-CG 3.5Å; V230-Q264 PolarHBondContact O-N 3.38Å; Q264-G266 PolarHBondContact O-N 2.88Å |
| 265 | T | 91.2 | Very high | 95.6 | Very high | 68 Ų | 68 | 39.1 Ų | 39.1 | 42% | 0.417 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -12.8 | 173.8 | 79.5 | 0 | 0 | 0 | 0 | 111.7 | D263 K267 K363 | D263-T265 PolarHBondContact O-N 3.41Å; D263-T265 WeakPolarHBondContact OD1-CA 3.4Å; D263-T265 WeakPolarHBondContact OD1-CB 3.15Å; D263-T265 PolarHBondContact OD1-N 3.31Å; D263-T265 PolarHBondContact OD1-OG1 3.26Å; D263-T265 PolarHBondContact OD2-OG1 2.92Å; T265-K267 PolarHBondContact OG1-N 3.33Å; T265-K363 WeakPolarHBondContact O-CE 3.4Å; T265-K363 PolarHBondContact O-NZ 3.26Å |
| 266 | G | 87.6 | Confident | 95.6 | Very high | 37 Ų | 37 | 42.5 Ų | 42.5 | 38% | 0.381 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 88.9 | 8.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D263 Q264 | D263-G266 WeakPolarHBondContact O-CA 3.22Å; D263-G266 PolarHBondContact O-N 3.22Å; D263-G266 PolarHBondContact OD1-N 3.2Å; D263-G266 VanDerWaalsContact OD1-N 3.12Å; Q264-G266 PolarHBondContact O-N 2.88Å |
| 267 | K | 93.7 | Very high | 95.5 | Very high | 126 Ų | 126 | 43.6 Ų | 43.6 | 55% | 0.548 | 24% | 0.243 | S | C | . | . | trans | -76.6 | 131.5 | 176.2 | -176 | -177.8 | 177.6 | 179.7 | 0 | 109.2 | T262 D263 T265 | T262-K267 CarbonylContact C-O 3.09Å; T262-K267 VanDerWaalsContact CA-O 3.23Å; T262-K267 WeakPolarHBondContact CA-O 3.41Å; D263-K267 PolarHBondContact N-O 3.34Å; D263-K267 PolarHBondContact OD1-N 3.01Å; D263-K267 WeakPolarHBondContact OD2-CB 3.43Å; T265-K267 PolarHBondContact OG1-N 3.33Å | ||
| 268 | A | 95.1 | Very high | 95.5 | Very high | 73 Ų | 73 | 43.5 Ų | 43.5 | 60% | 0.603 | 24% | 0.243 | S | C | * | . | B | Isolated β-bridge | trans | -62.8 | 139 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A261 | A261-A268 WeakPolarHBondContact O-CA 3.39Å |
| 269 | I | 96.6 | Very high | 95.4 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | trans | -108.6 | 116.4 | 174.9 | -60.2 | 174.9 | 0 | 0 | 0 | 107.6 | F224 V230 W234 A261 D263 V274 | F224-I269 HydrophobicContact CD1-CD1 3.75Å; F224-I269 HydrophobicContact CD1-CG2 4.2Å; F224-I269 HydrophobicContact CE1-CD1 3.98Å; F224-I269 HydrophobicContact CE1-CG2 4.26Å; V230-I269 HydrophobicContact CG2-CD1 3.39Å; W234-I269 HydrophobicContact CZ2-CG2 4.26Å; A261-I269 HydrophobicContact CB-CB 4.34Å; A261-I269 PolarHBondContact O-N 2.97Å; D263-I269 HydrophobicContact CB-CD1 4.07Å; D263-I269 HydrophobicContact CB-CG1 4.45Å; I269-V274 HydrophobicContact CG2-CG2 3.67Å | ||
| 270 | S | 96.6 | Very high | 95.4 | Very high | 60 Ų | 60 | 46 Ų | 46 | 42% | 0.42 | 26% | 0.256 | S | S | . | . | trans | -90.8 | 152 | 175.9 | 70.9 | 0 | 0 | 0 | 0 | 111.9 | E272 Q273 V274 | S270-E272 PolarHBondContact O-N 3Å; S270-Q273 WeakPolarHBondContact O-CB 3.06Å; S270-Q273 PolarHBondContact O-N 2.92Å; S270-Q273 VanDerWaalsContact O-N 3.1Å; S270-Q273 WeakPolarHBondContact OG-CB 3.24Å; S270-Q273 PolarHBondContact OG-N 3.36Å; S270-Q273 VanDerWaalsContact OG-N 3.1Å; S270-V274 PolarHBondContact O-N 3.42Å; S270-V274 VanDerWaalsContact O-N 3.13Å | ||
| 271 | S | 96.8 | Very high | 95.5 | Very high | 8 Ų | 8 | 51 Ų | 51 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.9 | -36 | 173.2 | 54.8 | 0 | 0 | 0 | 0 | 112.4 | E201 V274 R275 | E201-S271 VanDerWaalsContact OE2-CB 3.29Å; E201-S271 WeakPolarHBondContact OE2-CB 3.44Å; E201-S271 PolarHBondContact OE2-OG 3.35Å; S271-V274 PolarHBondContact O-N 2.65Å; S271-R275 PolarHBondContact O-N 3.04Å |
| 272 | E | 97.3 | Very high | 95.5 | Very high | 86 Ų | 86 | 52.5 Ų | 52.5 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.2 | -37.7 | 176.3 | -173.9 | 56 | -156.9 | 0 | 0 | 113 | S270 V274 R275 Q276 | S270-E272 PolarHBondContact O-N 3Å; E272-V274 VanDerWaalsContact C-N 3.32Å; E272-V274 PolarHBondContact O-N 2.93Å; E272-R275 WeakPolarHBondContact O-CB 3.31Å; E272-R275 PolarHBondContact O-N 3.35Å; E272-R275 IonicContact OE1-CZ 2.7Å; E272-R275 IonicContact OE1-NE 3.59Å; E272-R275 PolarHBondContact OE1-NE 3.47Å; E272-R275 IonicContact OE1-NH2 3.71Å; E272-R275 PolarHBondContact OE1-NH2 2.96Å; E272-R275 WeakPolarHBondContact OE2-CD 3.48Å; E272-R275 IonicContact OE2-NE 2.82Å; E272-R275 PolarHBondContact OE2-NE 3.47Å; E272-Q276 WeakPolarHBondContact O-CB 3.35Å; E272-Q276 PolarHBondContact O-N 2.69Å |
| 273 | Q | 97 | Very high | 95.4 | Very high | 60 Ų | 60 | 59.3 Ų | 59.3 | 28% | 0.28 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 173.1 | -176.9 | -175.7 | 1.4 | 0 | 0 | 110.9 | W234 S270 Q276 V277 | W234-Q273 HydrophobicContact CH2-CG 4.35Å; W234-Q273 HydrophobicContact CZ2-CG 4.14Å; S270-Q273 WeakPolarHBondContact O-CB 3.06Å; S270-Q273 PolarHBondContact O-N 2.92Å; S270-Q273 VanDerWaalsContact O-N 3.1Å; S270-Q273 WeakPolarHBondContact OG-CB 3.24Å; S270-Q273 PolarHBondContact OG-N 3.36Å; S270-Q273 VanDerWaalsContact OG-N 3.1Å; Q273-Q276 PolarHBondContact O-N 3.16Å; Q273-V277 WeakPolarHBondContact O-CG2 3.42Å; Q273-V277 PolarHBondContact O-N 2.98Å |
| 274 | V | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 175.9 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | V199 F224 W234 L238 I255 I269 S270 S271 E272 Q276 V277 V278 | V199-V274 HydrophobicContact CG1-CB 4.17Å; V199-V274 HydrophobicContact CG1-CG1 4.16Å; V199-V274 HydrophobicContact CG2-CB 4.29Å; V199-V274 HydrophobicContact CG2-CG1 3.8Å; F224-V274 HydrophobicContact CD2-CG2 4.32Å; F224-V274 HydrophobicContact CE2-CG1 4.03Å; F224-V274 HydrophobicContact CE2-CG2 3.74Å; F224-V274 HydrophobicContact CZ-CG1 4.43Å; F224-V274 HydrophobicContact CZ-CG2 3.88Å; W234-V274 HydrophobicContact CH2-CG2 3.96Å; W234-V274 HydrophobicContact CZ3-CG2 4.15Å; L238-V274 HydrophobicContact CD2-CG1 3.87Å; I255-V274 HydrophobicContact CD1-CG1 4.13Å; I255-V274 HydrophobicContact CG2-CG1 4.02Å; I269-V274 HydrophobicContact CG2-CG2 3.67Å; S270-V274 PolarHBondContact O-N 3.42Å; S270-V274 VanDerWaalsContact O-N 3.13Å; S271-V274 PolarHBondContact O-N 2.65Å; E272-V274 VanDerWaalsContact C-N 3.32Å; E272-V274 PolarHBondContact O-N 2.93Å; V274-Q276 VanDerWaalsContact C-N 3.34Å; V274-Q276 PolarHBondContact O-N 3.28Å; V274-V277 PolarHBondContact O-N 2.85Å; V274-V278 WeakPolarHBondContact O-CG2 3.43Å; V274-V278 PolarHBondContact O-N 3.2Å; V274-V278 VanDerWaalsContact O-N 3.1Å |
| 275 | R | 97.7 | Very high | 95.5 | Very high | 54 Ų | 54 | 59.4 Ų | 59.4 | 20% | 0.204 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.4 | -49.1 | 175.1 | -172.1 | -163.4 | 72.1 | 79.2 | 6.5 | 111.4 | S271 E272 V278 H279 T286 V288 | S271-R275 PolarHBondContact O-N 3.04Å; E272-R275 WeakPolarHBondContact O-CB 3.31Å; E272-R275 PolarHBondContact O-N 3.35Å; E272-R275 IonicContact OE1-CZ 2.7Å; E272-R275 IonicContact OE1-NE 3.59Å; E272-R275 PolarHBondContact OE1-NE 3.47Å; E272-R275 IonicContact OE1-NH2 3.71Å; E272-R275 PolarHBondContact OE1-NH2 2.96Å; E272-R275 WeakPolarHBondContact OE2-CD 3.48Å; E272-R275 IonicContact OE2-NE 2.82Å; E272-R275 PolarHBondContact OE2-NE 3.47Å; R275-V278 PolarHBondContact O-N 2.65Å; R275-H279 WeakPolarHBondContact O-CB 3.42Å; R275-H279 PolarHBondContact O-N 3.35Å; R275-T286 HydrophobicContact CB-CG2 4.28Å; R275-T286 HydrophobicContact CG-CG2 3.79Å; R275-V288 HydrophobicContact CB-CG2 3.64Å; R275-V288 HydrophobicContact CG-CG2 4.02Å |
| 276 | Q | 97.5 | Very high | 95.7 | Very high | 71 Ų | 71 | 56.2 Ų | 56.2 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | -177.3 | -168 | 62.5 | 31.6 | 0 | 0 | 111.5 | E272 Q273 V274 V278 H279 D280 | E272-Q276 WeakPolarHBondContact O-CB 3.35Å; E272-Q276 PolarHBondContact O-N 2.69Å; Q273-Q276 PolarHBondContact O-N 3.16Å; V274-Q276 VanDerWaalsContact C-N 3.34Å; V274-Q276 PolarHBondContact O-N 3.28Å; Q276-V278 PolarHBondContact O-N 3.04Å; Q276-H279 PolarHBondContact O-N 3.23Å; Q276-D280 WeakPolarHBondContact CG-OD2 3.28Å; Q276-D280 PolarHBondContact NE2-OD1 2.93Å; Q276-D280 PolarHBondContact NE2-OD2 3.43Å; Q276-D280 VanDerWaalsContact O-CB 3.31Å; Q276-D280 WeakPolarHBondContact O-CB 3.04Å; Q276-D280 VanDerWaalsContact O-CG 3.26Å; Q276-D280 PolarHBondContact O-N 3.21Å |
| 277 | V | 97.4 | Very high | 96.1 | Very high | 22 Ų | 22 | 59.4 Ų | 59.4 | 13% | 0.133 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.6 | -48.5 | 176 | 164.1 | 0 | 0 | 0 | 0 | 111.8 | W234 P235 Q273 V274 D280 R281 | W234-V277 HydrophobicContact CH2-CB 4.12Å; W234-V277 HydrophobicContact CH2-CG1 4.38Å; W234-V277 HydrophobicContact CH2-CG2 3.7Å; W234-V277 HydrophobicContact CZ2-CG2 4.36Å; W234-V277 HydrophobicContact CZ3-CB 4.25Å; W234-V277 HydrophobicContact CZ3-CG1 4.07Å; W234-V277 HydrophobicContact CZ3-CG2 4.24Å; P235-V277 HydrophobicContact CB-CG1 3.65Å; P235-V277 HydrophobicContact CB-CG2 4.25Å; P235-V277 HydrophobicContact CG-CG1 4.48Å; P235-V277 HydrophobicContact CG-CG2 4.36Å; Q273-V277 WeakPolarHBondContact O-CG2 3.42Å; Q273-V277 PolarHBondContact O-N 2.98Å; V274-V277 PolarHBondContact O-N 2.85Å; V277-D280 PolarHBondContact O-N 3.47Å; V277-R281 WeakPolarHBondContact O-CB 3.38Å; V277-R281 PolarHBondContact O-N 3.45Å |
| 278 | V | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | -179.8 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | T197 L238 L242 I255 V274 R275 Q276 L282 R283 Y284 T286 | T197-V278 HydrophobicContact CG2-CG1 4.24Å; L238-V278 HydrophobicContact CD2-CG2 3.83Å; L238-V278 HydrophobicContact CG-CG2 4.48Å; L242-V278 HydrophobicContact CD1-CG1 4.07Å; L242-V278 HydrophobicContact CD1-CG2 3.66Å; I255-V278 HydrophobicContact CD1-CG2 4.13Å; V274-V278 WeakPolarHBondContact O-CG2 3.43Å; V274-V278 PolarHBondContact O-N 3.2Å; V274-V278 VanDerWaalsContact O-N 3.1Å; R275-V278 PolarHBondContact O-N 2.65Å; Q276-V278 PolarHBondContact O-N 3.04Å; V278-L282 HydrophobicContact CG1-CD1 4.44Å; V278-L282 WeakPolarHBondContact O-CA 3.46Å; V278-L282 WeakPolarHBondContact O-CB 3.44Å; V278-L282 PolarHBondContact O-N 3.43Å; V278-R283 PolarHBondContact O-N 2.87Å; V278-Y284 HydrophobicContact CG1-CD2 4.38Å; V278-T286 HydrophobicContact CB-CG2 4.34Å; V278-T286 HydrophobicContact CG1-CG2 4.34Å; V278-T286 VanDerWaalsContact CG1-OG1 3.29Å; V278-T286 WeakPolarHBondContact CG1-OG1 3.39Å |
| 279 | H | 95.9 | Very high | 96.4 | Very high | 69 Ų | 69 | 53.9 Ų | 53.9 | 32% | 0.319 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 177.3 | 176.6 | -92.6 | 0 | 0 | 0 | 112.2 | R275 Q276 R283 | R275-H279 WeakPolarHBondContact O-CB 3.42Å; R275-H279 PolarHBondContact O-N 3.35Å; Q276-H279 PolarHBondContact O-N 3.23Å; H279-R283 WeakPolarHBondContact O-CA 3.32Å; H279-R283 WeakPolarHBondContact O-CD 3.5Å; H279-R283 PolarHBondContact O-N 2.98Å; H279-R283 PolarHBondContact O-NH1 3.38Å |
| 280 | D | 96.2 | Very high | 96.4 | Very high | 69 Ų | 69 | 57.5 Ų | 57.5 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -75.9 | -38.6 | -173.1 | -71.1 | -14.8 | 0 | 0 | 0 | 113.3 | Q276 V277 R283 | Q276-D280 WeakPolarHBondContact CG-OD2 3.28Å; Q276-D280 PolarHBondContact NE2-OD1 2.93Å; Q276-D280 PolarHBondContact NE2-OD2 3.43Å; Q276-D280 VanDerWaalsContact O-CB 3.31Å; Q276-D280 WeakPolarHBondContact O-CB 3.04Å; Q276-D280 VanDerWaalsContact O-CG 3.26Å; Q276-D280 PolarHBondContact O-N 3.21Å; V277-D280 PolarHBondContact O-N 3.47Å; D280-R283 VanDerWaalsContact O-CZ 3.24Å; D280-R283 PolarHBondContact O-NH1 3.1Å; D280-R283 PolarHBondContact O-NH2 3.06Å; D280-R283 IonicContact OD1-NH1 3.87Å |
| 281 | R | 96.4 | Very high | 96.4 | Very high | 124 Ų | 124 | 55.4 Ų | 55.4 | 47% | 0.468 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -88.7 | -36.1 | -176.5 | -62.5 | -172.1 | -179.1 | -157.3 | 1.8 | 113.5 | P235 D236 C239 V277 | P235-R281 VanDerWaalsContact CB-CZ 3.42Å; D236-R281 IonicContact OD1-CZ 3.88Å; D236-R281 IonicContact OD1-NH1 2.76Å; D236-R281 PolarHBondContact OD1-NH1 2.97Å; D236-R281 IonicContact OD2-CZ 3.98Å; D236-R281 IonicContact OD2-NH1 3.22Å; D236-R281 PolarHBondContact OD2-NH1 2.83Å; C239-R281 HydrophobicContact CB-CB 4.47Å; V277-R281 WeakPolarHBondContact O-CB 3.38Å; V277-R281 PolarHBondContact O-N 3.45Å |
| 282 | L | 94.9 | Very high | 96.3 | Very high | 32 Ų | 32 | 56 Ų | 56 | 17% | 0.168 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -108.7 | -14.2 | -176.5 | -61.5 | 179.9 | 0 | 0 | 0 | 114.2 | C239 L242 K243 V278 Y284 | C239-L282 HydrophobicContact CB-CD1 4.05Å; C239-L282 HydrophobicContact CB-CD2 4.06Å; C239-L282 HydrophobicContact CB-CG 3.95Å; L242-L282 HydrophobicContact CB-CD1 3.79Å; L242-L282 HydrophobicContact CD1-CD1 4.24Å; K243-L282 HydrophobicContact CB-CD2 4.09Å; V278-L282 HydrophobicContact CG1-CD1 4.44Å; V278-L282 WeakPolarHBondContact O-CA 3.46Å; V278-L282 WeakPolarHBondContact O-CB 3.44Å; V278-L282 PolarHBondContact O-N 3.43Å; L282-Y284 HydrophobicContact CB-CD1 3.92Å; L282-Y284 HydrophobicContact CB-CD2 4.07Å; L282-Y284 HydrophobicContact CB-CE1 4.04Å; L282-Y284 HydrophobicContact CB-CE2 4.19Å; L282-Y284 HydrophobicContact CB-CG 3.93Å; L282-Y284 HydrophobicContact CD1-CD2 3.93Å; L282-Y284 HydrophobicContact CD1-CE2 3.68Å; L282-Y284 VanDerWaalsContact O-CD1 3.26Å; L282-Y284 WeakPolarHBondContact O-CD1 3.48Å; L282-Y284 PolarHBondContact O-N 2.68Å |
| 283 | R | 94.4 | Very high | 96.2 | Very high | 173 Ų | 173 | 58.6 Ų | 58.6 | 65% | 0.653 | 28% | 0.276 | S | S | * | . | trans | 58.4 | 25.3 | -175 | -53.6 | -66.1 | 176.3 | -152.6 | -0.1 | 113.6 | V278 H279 D280 | V278-R283 PolarHBondContact O-N 2.87Å; H279-R283 WeakPolarHBondContact O-CA 3.32Å; H279-R283 WeakPolarHBondContact O-CD 3.5Å; H279-R283 PolarHBondContact O-N 2.98Å; H279-R283 PolarHBondContact O-NH1 3.38Å; D280-R283 VanDerWaalsContact O-CZ 3.24Å; D280-R283 PolarHBondContact O-NH1 3.1Å; D280-R283 PolarHBondContact O-NH2 3.06Å; D280-R283 IonicContact OD1-NH1 3.87Å | ||
| 284 | Y | 93.9 | Very high | 96.2 | Very high | 47 Ų | 47 | 59.4 Ų | 59.4 | 18% | 0.184 | 29% | 0.285 | C | S | . | . | trans | -78.2 | 141.2 | 175.7 | -66.9 | -5 | 0 | 0 | 0 | 111 | L242 R246 V278 L282 T286 | L242-Y284 HydrophobicContact CB-CE2 4.46Å; R246-Y284 HydrophobicContact CB-CE2 4.49Å; R246-Y284 WeakPolarHBondContact CB-OH 3.39Å; R246-Y284 HydrophobicContact CG-CD2 4.45Å; R246-Y284 HydrophobicContact CG-CE2 3.48Å; R246-Y284 VanDerWaalsContact CG-CE2 3.48Å; R246-Y284 VanDerWaalsContact CG-OH 3.31Å; R246-Y284 WeakPolarHBondContact CG-OH 3.38Å; V278-Y284 HydrophobicContact CG1-CD2 4.38Å; L282-Y284 HydrophobicContact CB-CD1 3.92Å; L282-Y284 HydrophobicContact CB-CD2 4.07Å; L282-Y284 HydrophobicContact CB-CE1 4.04Å; L282-Y284 HydrophobicContact CB-CE2 4.19Å; L282-Y284 HydrophobicContact CB-CG 3.93Å; L282-Y284 HydrophobicContact CD1-CD2 3.93Å; L282-Y284 HydrophobicContact CD1-CE2 3.68Å; L282-Y284 VanDerWaalsContact O-CD1 3.26Å; L282-Y284 WeakPolarHBondContact O-CD1 3.48Å; L282-Y284 PolarHBondContact O-N 2.68Å; Y284-T286 PolarHBondContact O-N 2.87Å; Y284-T286 PolarHBondContact O-OG1 2.96Å | ||
| 285 | D | 94.2 | Very high | 96.1 | Very high | 61 Ų | 61 | 59.6 Ų | 59.6 | 33% | 0.326 | 29% | 0.286 | S | S | . | . | trans | -67.4 | 98.5 | 173.8 | -170.7 | 26.5 | 0 | 0 | 0 | 109.7 | R196 T197 R287 | R196-D285 HydrophobicContact CG-CB 4.12Å; R196-D285 IonicContact CZ-OD2 3.09Å; R196-D285 IonicContact NE-OD2 3.74Å; R196-D285 PolarHBondContact NE-OD2 3.43Å; R196-D285 IonicContact NH2-OD2 2.79Å; R196-D285 PolarHBondContact NH2-OD2 3.08Å; T197-D285 PolarHBondContact N-O 2.79Å; D285-R287 IonicContact OD1-CZ 2.75Å; D285-R287 IonicContact OD1-NH1 2.75Å; D285-R287 PolarHBondContact OD1-NH1 3.24Å; D285-R287 IonicContact OD1-NH2 3.36Å; D285-R287 PolarHBondContact OD1-NH2 2.85Å; D285-R287 IonicContact OD2-NH2 2.83Å; D285-R287 PolarHBondContact OD2-NH2 2.75Å | ||
| 286 | T | 95.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.4 | -169.6 | -49.1 | 0 | 0 | 0 | 0 | 111 | T197 V199 R275 V278 Y284 | T197-T286 HydrophobicContact CG2-CG2 3.93Å; T197-T286 CarbonylContact O-C 3.28Å; T197-T286 VanDerWaalsContact O-CA 3.26Å; T197-T286 WeakPolarHBondContact O-CA 3.33Å; V199-T286 HydrophobicContact CG2-CG2 4.04Å; R275-T286 HydrophobicContact CB-CG2 4.28Å; R275-T286 HydrophobicContact CG-CG2 3.79Å; V278-T286 HydrophobicContact CB-CG2 4.34Å; V278-T286 HydrophobicContact CG1-CG2 4.34Å; V278-T286 VanDerWaalsContact CG1-OG1 3.29Å; V278-T286 WeakPolarHBondContact CG1-OG1 3.39Å; Y284-T286 PolarHBondContact O-N 2.87Å; Y284-T286 PolarHBondContact O-OG1 2.96Å |
| 287 | R | 96.2 | Very high | 95.6 | Very high | 103 Ų | 103 | 56.3 Ų | 56.3 | 39% | 0.389 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 147.6 | 178.6 | -65.9 | -67 | 176 | -77.4 | -11.3 | 110.9 | T197 F198 V199 D285 | T197-R287 PolarHBondContact O-N 3.48Å; F198-R287 WeakPolarHBondContact CA-O 3.21Å; F198-R287 HydrophobicContact CD1-CB 3.86Å; F198-R287 HydrophobicContact CE1-CB 3.69Å; F198-R287 HydrophobicContact CE1-CG 4.34Å; F198-R287 HydrophobicContact CZ-CB 4.26Å; F198-R287 HydrophobicContact CZ-CG 4.49Å; V199-R287 PolarHBondContact N-O 2.85Å; D285-R287 IonicContact OD1-CZ 2.75Å; D285-R287 IonicContact OD1-NH1 2.75Å; D285-R287 PolarHBondContact OD1-NH1 3.24Å; D285-R287 IonicContact OD1-NH2 3.36Å; D285-R287 PolarHBondContact OD1-NH2 2.85Å; D285-R287 IonicContact OD2-NH2 2.83Å; D285-R287 PolarHBondContact OD2-NH2 2.75Å |
| 288 | V | 97.4 | Very high | 95.3 | Very high | 43 Ų | 43 | 57.1 Ų | 57.1 | 26% | 0.261 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 139.2 | 172.1 | 173 | 0 | 0 | 0 | 0 | 108.6 | V199 R275 V290 | V199-V288 HydrophobicContact CB-CG2 4.2Å; V199-V288 CarbonylContact O-C 3.52Å; V199-V288 WeakPolarHBondContact O-CA 3.35Å; R275-V288 HydrophobicContact CB-CG2 3.64Å; R275-V288 HydrophobicContact CG-CG2 4.02Å; V288-V290 HydrophobicContact CG1-CG2 3.99Å |
| 289 | T | 96.9 | Very high | 95.2 | Very high | 40 Ų | 40 | 61.3 Ų | 61.3 | 25% | 0.245 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 107.3 | 171.7 | -58.3 | 0 | 0 | 0 | 0 | 108.3 | V199 I200 E201 L291 | V199-T289 PolarHBondContact O-N 3.28Å; I200-T289 WeakPolarHBondContact CA-O 3.37Å; E201-T289 PolarHBondContact N-O 3.42Å; T289-L291 HydrophobicContact CG2-CD2 4.01Å |
| 290 | V | 97.4 | Very high | 95.3 | Very high | 84 Ų | 84 | 58.1 Ų | 58.1 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 108.8 | 173.2 | -176.3 | 0 | 0 | 0 | 0 | 107.7 | E201 V288 G292 | E201-V290 HydrophobicContact CB-CB 4.38Å; E201-V290 HydrophobicContact CB-CG1 4.31Å; E201-V290 HydrophobicContact CB-CG2 4.09Å; V288-V290 HydrophobicContact CG1-CG2 3.99Å; V290-G292 VanDerWaalsContact C-N 3.33Å |
| 291 | L | 96.9 | Very high | 95.3 | Very high | 17 Ų | 17 | 55 Ų | 55 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | trans | -66.1 | -40.2 | -178.3 | -61.2 | -173.8 | 0 | 0 | 0 | 111 | I180 S183 I200 E201 V202 T289 V294 Q295 | I180-L291 HydrophobicContact CB-CD1 4.24Å; I180-L291 HydrophobicContact CG1-CD1 4.01Å; I180-L291 HydrophobicContact CG2-CD1 4.16Å; S183-L291 VanDerWaalsContact CB-CD2 3.43Å; I200-L291 HydrophobicContact CG2-CD1 3.98Å; I200-L291 HydrophobicContact CG2-CD2 4.2Å; I200-L291 HydrophobicContact CG2-CG 3.91Å; E201-L291 PolarHBondContact O-N 3.42Å; V202-L291 HydrophobicContact CG2-CD1 4.3Å; T289-L291 HydrophobicContact CG2-CD2 4.01Å; L291-V294 HydrophobicContact CB-CG2 3.96Å; L291-V294 WeakPolarHBondContact O-CG2 3.4Å; L291-Q295 HydrophobicContact CB-CG 4.06Å; L291-Q295 HydrophobicContact CD1-CG 4.34Å | ||
| 292 | G | 95.1 | Very high | 95.4 | Very high | 20 Ų | 20 | 49.1 Ų | 49.1 | 21% | 0.206 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | 57.7 | -141.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V290 V294 Q295 | V290-G292 VanDerWaalsContact C-N 3.33Å; G292-V294 PolarHBondContact O-N 2.79Å; G292-V294 VanDerWaalsContact O-N 3.1Å; G292-Q295 WeakPolarHBondContact O-CG 3.14Å; G292-Q295 PolarHBondContact O-N 2.78Å; G292-Q295 PolarHBondContact O-NE2 3.34Å |
| 293 | H | 94.6 | Very high | 95.5 | Very high | 140 Ų | 140 | 48.9 Ų | 48.9 | 65% | 0.648 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -71.4 | -4.9 | -168.4 | -65.3 | 82.9 | 0 | 0 | 0 | 115.2 | Q295 R296 G297 | H293-Q295 PolarHBondContact O-N 3.28Å; H293-R296 PolarHBondContact O-N 2.75Å; H293-G297 PolarHBondContact O-N 3.37Å |
| 294 | V | 95.8 | Very high | 95.7 | Very high | 78 Ų | 78 | 40.6 Ų | 40.6 | 47% | 0.473 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -57.6 | -22 | 169.3 | -53.3 | 0 | 0 | 0 | 0 | 111.7 | R179 L291 G292 | R179-V294 VanDerWaalsContact CG-O 3.28Å; R179-V294 WeakPolarHBondContact CG-O 3.46Å; L291-V294 HydrophobicContact CB-CG2 3.96Å; L291-V294 WeakPolarHBondContact O-CG2 3.4Å; G292-V294 PolarHBondContact O-N 2.79Å; G292-V294 VanDerWaalsContact O-N 3.1Å |
| 295 | Q | 96.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -76.7 | -20.2 | 176.7 | -61.7 | 169.8 | 85.9 | 0 | 0 | 113.9 | I160 A176 I180 M203 L291 G292 H293 | I160-Q295 HydrophobicContact CD1-CB 4.36Å; A176-Q295 WeakPolarHBondContact CA-O 3.35Å; A176-Q295 WeakPolarHBondContact CB-O 3.49Å; I180-Q295 HydrophobicContact CG1-CG 3.89Å; M203-Q295 VanDerWaalsContact CG-NE2 3.33Å; M203-Q295 HydrophobicContact SD-CB 4.28Å; L291-Q295 HydrophobicContact CB-CG 4.06Å; L291-Q295 HydrophobicContact CD1-CG 4.34Å; G292-Q295 WeakPolarHBondContact O-CG 3.14Å; G292-Q295 PolarHBondContact O-N 2.78Å; G292-Q295 PolarHBondContact O-NE2 3.34Å; H293-Q295 PolarHBondContact O-N 3.28Å |
| 296 | R | 93.5 | Very high | 96 | Very high | 30 Ų | 30 | 36.4 Ų | 36.4 | 11% | 0.113 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -29.9 | 174.4 | -69 | -170.4 | -178.5 | -89.6 | -7.9 | 112.4 | D21 S75 I160 D161 M203 H293 | D21-R296 PolarHBondContact O-NH1 3.15Å; S75-R296 PolarHBondContact OG-O 2.64Å; S75-R296 VanDerWaalsContact OG-O 3.04Å; I160-R296 HydrophobicContact CD1-CG 3.73Å; D161-R296 IonicContact OD2-NH2 3.04Å; M203-R296 HydrophobicContact SD-CG 4.43Å; H293-R296 PolarHBondContact O-N 2.75Å |
| 297 | G | 91.4 | Very high | 96.1 | Very high | 27 Ų | 27 | 36.4 Ų | 36.4 | 28% | 0.278 | 21% | 0.21 | S | C | . | . | trans | -83.6 | -172 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | H293 | H293-G297 PolarHBondContact O-N 3.37Š| ||
| 298 | G | 90.9 | Very high | 96.2 | Very high | 38 Ų | 38 | 31.5 Ų | 31.5 | 39% | 0.392 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 88.2 | 165.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S75 | S75-G298 WeakPolarHBondContact CB-O 3.31Å; S75-G298 PolarHBondContact OG-O 2.75Å |
| 299 | V | 94.2 | Very high | 96.2 | Very high | 88 Ų | 88 | 29.5 Ų | 29.5 | 53% | 0.533 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -64.4 | 128.2 | -177.7 | 174.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 300 | P | 97.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.013 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 140.5 | 177.7 | -21.7 | 31.8 | 0 | 0 | 0 | 111.4 | A23 Q73 S175 R305 | A23-P300 HydrophobicContact CB-CB 4.04Å; A23-P300 HydrophobicContact CB-CG 4.03Å; Q73-P300 VanDerWaalsContact O-CD 3.28Å; Q73-P300 WeakPolarHBondContact O-CD 3.4Å; S175-P300 WeakPolarHBondContact OG-CA 3.36Å; P300-R305 HydrophobicContact CB-CG 3.93Å; P300-R305 PolarHBondContact O-NE 3.23Å; P300-R305 PolarHBondContact O-NH2 3.28Å; P300-R305 VanDerWaalsContact O-NH2 3.14Å |
| 301 | S | 98 | Very high | 96.2 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 3% | 0.028 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 159.6 | 177 | 74.6 | 0 | 0 | 0 | 0 | 111.7 | D174 S175 F303 D304 R305 N550 | D174-S301 WeakPolarHBondContact OD2-CB 3.24Å; D174-S301 PolarHBondContact OD2-OG 3.45Å; S175-S301 PolarHBondContact OG-N 3.38Å; S301-F303 PolarHBondContact O-N 2.87Å; S301-D304 PolarHBondContact O-N 2.81Å; S301-D304 PolarHBondContact OG-N 3.18Å; S301-R305 VanDerWaalsContact O-CG 3.28Å; S301-R305 WeakPolarHBondContact O-CG 3.33Å; S301-R305 PolarHBondContact O-N 2.62Å; S301-N550 WeakPolarHBondContact CA-OD1 3.48Å; S301-N550 WeakPolarHBondContact CB-OD1 3.39Å |
| 302 | A | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57 | -40.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R305 L306 L549 N550 | A302-R305 PolarHBondContact O-N 3.28Å; A302-L306 WeakPolarHBondContact O-CB 3.29Å; A302-L306 WeakPolarHBondContact O-CD1 3.38Å; A302-L306 VanDerWaalsContact O-CG 3.22Å; A302-L306 WeakPolarHBondContact O-CG 3.27Å; A302-L306 PolarHBondContact O-N 2.86Å; A302-L549 HydrophobicContact CB-CB 3.73Å; A302-N550 PolarHBondContact N-OD1 2.95Å |
| 303 | F | 97.1 | Very high | 96.3 | Very high | 27 Ų | 27 | 23 Ų | 23 | 12% | 0.118 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.7 | -53.2 | 176.4 | -176.5 | -88.8 | 0 | 0 | 0 | 112 | M169 D174 S301 R305 L306 L307 L336 F674 | M169-F303 HydrophobicContact CG-CE1 4.26Å; M169-F303 HydrophobicContact SD-CD1 4.01Å; M169-F303 HydrophobicContact SD-CE1 3.34Å; M169-F303 WeakPolarHBondContact SD-CE1 3.29Å; M169-F303 HydrophobicContact SD-CZ 3.87Å; D174-F303 HydrophobicContact CB-CB 4.19Å; D174-F303 HydrophobicContact CB-CD1 3.72Å; D174-F303 HydrophobicContact CB-CG 4.23Å; S301-F303 PolarHBondContact O-N 2.87Å; F303-R305 VanDerWaalsContact C-N 3.32Å; F303-R305 PolarHBondContact O-N 2.7Å; F303-L306 PolarHBondContact O-N 2.85Å; F303-L307 HydrophobicContact CE1-CB 4.31Å; F303-L307 HydrophobicContact CE1-CD2 3.82Å; F303-L307 VanDerWaalsContact O-CB 3.28Å; F303-L307 WeakPolarHBondContact O-CB 3.23Å; F303-L307 PolarHBondContact O-N 3.25Å; F303-L336 HydrophobicContact CZ-CD2 3.89Å; F303-F674 HydrophobicContact CD2-CD2 4.16Å; F303-F674 AromaticContact CD2-CE2 4Å; F303-F674 HydrophobicContact CD2-CE2 4Å; F303-F674 HydrophobicContact CE2-CD2 4.31Å; F303-F674 AromaticContact CE2-CE2 3.78Å; F303-F674 HydrophobicContact CE2-CE2 3.78Å |
| 304 | D | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.4 | -35.8 | -177.9 | -83.1 | -41 | 0 | 0 | 0 | 112.3 | G172 D174 S175 S301 A308 | G172-D304 WeakPolarHBondContact CA-OD2 3.1Å; G172-D304 PolarHBondContact N-OD1 3.4Å; G172-D304 PolarHBondContact N-OD2 3.42Å; D174-D304 PolarHBondContact N-OD2 2.94Å; S175-D304 WeakPolarHBondContact CB-OD2 3.41Å; S175-D304 PolarHBondContact N-OD2 2.67Å; S175-D304 PolarHBondContact OG-OD2 2.68Å; S301-D304 PolarHBondContact O-N 2.81Å; S301-D304 PolarHBondContact OG-N 3.18Å; D304-A308 WeakPolarHBondContact O-CB 3.22Å; D304-A308 PolarHBondContact O-N 2.79Å |
| 305 | R | 98 | Very high | 96.4 | Very high | 3 Ų | 3 | 12.7 Ų | 12.7 | 1% | 0.011 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 174.1 | -66.2 | -179.5 | -155.4 | -163.7 | 0.3 | 111.9 | I72 P300 S301 A302 F303 S309 D557 A590 | I72-R305 HydrophobicContact CG1-CB 4.4Å; I72-R305 HydrophobicContact CG1-CG 4.31Å; P300-R305 HydrophobicContact CB-CG 3.93Å; P300-R305 PolarHBondContact O-NE 3.23Å; P300-R305 PolarHBondContact O-NH2 3.28Å; P300-R305 VanDerWaalsContact O-NH2 3.14Å; S301-R305 VanDerWaalsContact O-CG 3.28Å; S301-R305 WeakPolarHBondContact O-CG 3.33Å; S301-R305 PolarHBondContact O-N 2.62Å; A302-R305 PolarHBondContact O-N 3.28Å; F303-R305 VanDerWaalsContact C-N 3.32Å; F303-R305 PolarHBondContact O-N 2.7Å; R305-S309 VanDerWaalsContact O-CB 3.22Å; R305-S309 WeakPolarHBondContact O-CB 3.17Å; R305-S309 PolarHBondContact O-N 2.59Å; R305-S309 PolarHBondContact O-OG 2.91Å; R305-D557 IonicContact CZ-OD2 3.52Å; R305-D557 VanDerWaalsContact CZ-OD2 3.23Å; R305-D557 IonicContact NH1-OD1 3.97Å; R305-D557 PolarHBondContact NH1-OD1 3Å; R305-D557 IonicContact NH1-OD2 2.74Å; R305-D557 PolarHBondContact NH1-OD2 3.34Å; R305-D557 IonicContact NH2-OD2 3.49Å; R305-D557 PolarHBondContact NH2-OD2 3.22Å; R305-A590 HydrophobicContact CB-CB 4.12Å; R305-A590 WeakPolarHBondContact CD-O 3.41Å |
| 306 | L | 97 | Very high | 96.3 | Very high | 16 Ų | 16 | 12.6 Ų | 12.6 | 8% | 0.084 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.2 | -47.9 | 178.2 | -73.4 | 167.9 | 0 | 0 | 0 | 111.4 | A302 F303 S309 R310 L549 L586 L589 A590 | A302-L306 WeakPolarHBondContact O-CB 3.29Å; A302-L306 WeakPolarHBondContact O-CD1 3.38Å; A302-L306 VanDerWaalsContact O-CG 3.22Å; A302-L306 WeakPolarHBondContact O-CG 3.27Å; A302-L306 PolarHBondContact O-N 2.86Å; F303-L306 PolarHBondContact O-N 2.85Å; L306-S309 PolarHBondContact O-N 3.45Å; L306-R310 WeakPolarHBondContact O-CB 3.47Å; L306-R310 WeakPolarHBondContact O-CD 3.28Å; L306-R310 WeakPolarHBondContact O-CG 2.95Å; L306-R310 PolarHBondContact O-N 3.38Å; L306-L549 HydrophobicContact CD1-CD1 4.29Å; L306-L586 HydrophobicContact CD1-CB 4.24Å; L306-L586 HydrophobicContact CD1-CD2 3.98Å; L306-L586 HydrophobicContact CD2-CB 4.42Å; L306-L586 HydrophobicContact CD2-CD2 3.68Å; L306-L586 HydrophobicContact CG-CD2 4.46Å; L306-L589 HydrophobicContact CD2-CB 3.97Å; L306-L589 HydrophobicContact CD2-CD2 3.73Å; L306-L589 HydrophobicContact CD2-CG 3.83Å; L306-A590 HydrophobicContact CD1-CB 4.36Å; L306-A590 HydrophobicContact CD2-CB 3.88Å; L306-A590 HydrophobicContact CG-CB 3.74Å |
| 307 | L | 97 | Very high | 96.3 | Very high | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -56.8 | -55.4 | 178.6 | 179.8 | 64.3 | 0 | 0 | 0 | 110.1 | I171 F303 S309 R310 M311 L336 L341 | I171-L307 HydrophobicContact CG1-CD2 4.17Å; I171-L307 HydrophobicContact CG1-CG 4.31Å; F303-L307 HydrophobicContact CE1-CB 4.31Å; F303-L307 HydrophobicContact CE1-CD2 3.82Å; F303-L307 VanDerWaalsContact O-CB 3.28Å; F303-L307 WeakPolarHBondContact O-CB 3.23Å; F303-L307 PolarHBondContact O-N 3.25Å; L307-S309 PolarHBondContact O-N 2.56Å; L307-R310 PolarHBondContact O-N 3.32Å; L307-M311 HydrophobicContact CD1-CE 3.63Å; L307-M311 HydrophobicContact CD1-CG 4.26Å; L307-M311 HydrophobicContact CD1-SD 3.93Å; L307-M311 HydrophobicContact CD2-CE 4.43Å; L307-M311 HydrophobicContact CD2-SD 4.44Å; L307-M311 HydrophobicContact CG-CE 4.09Å; L307-M311 HydrophobicContact CG-CG 4.49Å; L307-M311 HydrophobicContact CG-SD 3.85Å; L307-M311 WeakPolarHBondContact O-CB 3.44Å; L307-M311 WeakPolarHBondContact O-CG 3.09Å; L307-M311 PolarHBondContact O-N 2.79Å; L307-L336 HydrophobicContact CD1-CB 4.43Å; L307-L336 HydrophobicContact CD1-CD1 3.76Å; L307-L336 HydrophobicContact CD1-CD2 4.17Å; L307-L336 HydrophobicContact CD1-CG 4.35Å; L307-L341 HydrophobicContact CD1-CD2 4.06Å |
| 308 | A | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.4 | -40.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G24 A27 A28 I171 D304 M311 G312 | G24-A308 VanDerWaalsContact O-CB 3.24Å; G24-A308 WeakPolarHBondContact O-CB 3.19Å; A27-A308 HydrophobicContact CB-CB 3.83Å; A28-A308 WeakPolarHBondContact CA-O 3.22Å; A28-A308 HydrophobicContact CB-CB 3.91Å; I171-A308 HydrophobicContact CD1-CB 3.92Å; I171-A308 HydrophobicContact CG1-CB 4.16Å; I171-A308 HydrophobicContact CG2-CB 3.91Å; D304-A308 WeakPolarHBondContact O-CB 3.22Å; D304-A308 PolarHBondContact O-N 2.79Å; A308-M311 PolarHBondContact O-N 2.98Å; A308-G312 PolarHBondContact O-N 3.32Å |
| 309 | S | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.6 | -41.9 | 177.4 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | A31 R305 L306 L307 A313 | A31-S309 WeakPolarHBondContact CB-O 3.43Å; R305-S309 VanDerWaalsContact O-CB 3.22Å; R305-S309 WeakPolarHBondContact O-CB 3.17Å; R305-S309 PolarHBondContact O-N 2.59Å; R305-S309 PolarHBondContact O-OG 2.91Å; L306-S309 PolarHBondContact O-N 3.45Å; L307-S309 PolarHBondContact O-N 2.56Å; S309-A313 PolarHBondContact O-N 3.1Å; S309-A313 VanDerWaalsContact O-N 3.15Å |
| 310 | R | 97 | Very high | 96.2 | Very high | 21 Ų | 21 | 8.7 Ų | 8.7 | 8% | 0.079 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -68.7 | -43.3 | 177.7 | -67.7 | 165.1 | 61 | -162.2 | -1 | 111 | L306 L307 A313 D314 N339 L341 L749 L752 | L306-R310 WeakPolarHBondContact O-CB 3.47Å; L306-R310 WeakPolarHBondContact O-CD 3.28Å; L306-R310 WeakPolarHBondContact O-CG 2.95Å; L306-R310 PolarHBondContact O-N 3.38Å; L307-R310 PolarHBondContact O-N 3.32Å; R310-A313 PolarHBondContact O-N 3.05Å; R310-D314 PolarHBondContact O-N 3.4Å; R310-N339 PolarHBondContact NH2-O 2.8Å; R310-L341 HydrophobicContact CB-CD1 3.55Å; R310-L341 HydrophobicContact CB-CG 4.49Å; R310-L749 HydrophobicContact CG-CD2 4.15Å; R310-L752 HydrophobicContact CG-CD2 4.2Å |
| 311 | M | 97.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 13.1 Ų | 13.1 | 2% | 0.015 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 177.3 | -79 | -178.6 | 163.1 | 0 | 0 | 111.9 | L156 I171 L307 A308 A313 D314 A315 I334 L336 L341 | L156-M311 HydrophobicContact CD2-CB 3.87Å; I171-M311 HydrophobicContact CD1-SD 3.81Å; I171-M311 HydrophobicContact CG1-SD 3.83Å; L307-M311 HydrophobicContact CD1-CE 3.63Å; L307-M311 HydrophobicContact CD1-CG 4.26Å; L307-M311 HydrophobicContact CD1-SD 3.93Å; L307-M311 HydrophobicContact CD2-CE 4.43Å; L307-M311 HydrophobicContact CD2-SD 4.44Å; L307-M311 HydrophobicContact CG-CE 4.09Å; L307-M311 HydrophobicContact CG-CG 4.49Å; L307-M311 HydrophobicContact CG-SD 3.85Å; L307-M311 WeakPolarHBondContact O-CB 3.44Å; L307-M311 WeakPolarHBondContact O-CG 3.09Å; L307-M311 PolarHBondContact O-N 2.79Å; A308-M311 PolarHBondContact O-N 2.98Å; M311-A313 PolarHBondContact O-N 3.04Å; M311-D314 PolarHBondContact O-N 2.93Å; M311-A315 WeakPolarHBondContact O-CB 3.19Å; M311-A315 PolarHBondContact O-N 2.92Å; M311-I334 HydrophobicContact CB-CG2 4.27Å; M311-I334 HydrophobicContact CG-CB 4.43Å; M311-I334 HydrophobicContact CG-CG2 3.91Å; M311-L336 HydrophobicContact CE-CB 4.3Å; M311-L341 HydrophobicContact CE-CD2 3.95Å; M311-L341 HydrophobicContact CG-CD1 4.26Å; M311-L341 HydrophobicContact CG-CD2 3.67Å |
| 312 | G | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.9 | -39.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A308 A315 V316 | A308-G312 PolarHBondContact O-N 3.32Å; G312-A315 PolarHBondContact O-N 2.99Å; G312-V316 PolarHBondContact O-N 3.06Å |
| 313 | A | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.2 | -45.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | V35 S309 R310 M311 A315 V316 L317 L752 Y763 | V35-A313 HydrophobicContact CG2-CB 3.9Å; S309-A313 PolarHBondContact O-N 3.1Å; S309-A313 VanDerWaalsContact O-N 3.15Å; R310-A313 PolarHBondContact O-N 3.05Å; M311-A313 PolarHBondContact O-N 3.04Å; A313-A315 VanDerWaalsContact C-N 3.3Å; A313-A315 PolarHBondContact O-N 2.8Å; A313-V316 PolarHBondContact O-N 3.11Å; A313-L317 WeakPolarHBondContact O-CG 3.32Å; A313-L317 PolarHBondContact O-N 2.76Å; A313-L752 HydrophobicContact CB-CD1 3.66Å; A313-L752 HydrophobicContact CB-CD2 4.36Å; A313-Y763 HydrophobicContact CB-CD1 4.44Å; A313-Y763 HydrophobicContact CB-CE1 4.04Å |
| 314 | D | 96.1 | Very high | 90.8 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.2 | -30.5 | 178.7 | -167.9 | 43.8 | 0 | 0 | 0 | 112.5 | R310 M311 V316 L317 A318 I334 L341 R343 T765 | R310-D314 PolarHBondContact O-N 3.4Å; M311-D314 PolarHBondContact O-N 2.93Å; D314-V316 PolarHBondContact O-N 3.15Å; D314-L317 PolarHBondContact O-N 2.59Å; D314-A318 WeakPolarHBondContact O-CB 3.25Å; D314-A318 PolarHBondContact O-N 2.82Å; D314-I334 HydrophobicContact CB-CG2 4.25Å; D314-L341 HydrophobicContact CB-CD1 4.3Å; D314-R343 IonicContact OD1-CZ 2.7Å; D314-R343 IonicContact OD1-NE 2.67Å; D314-R343 PolarHBondContact OD1-NE 3.19Å; D314-R343 VanDerWaalsContact OD1-NE 3.15Å; D314-R343 IonicContact OD1-NH2 3.13Å; D314-R343 PolarHBondContact OD1-NH2 2.55Å; D314-R343 IonicContact OD2-NE 2.86Å; D314-R343 PolarHBondContact OD2-NE 2.94Å; D314-T765 HydrophobicContact CB-CG2 4.11Å; D314-T765 WeakPolarHBondContact OD1-CG2 3.46Å |
| 315 | A | 96.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V109 V154 L156 M311 G312 A313 A318 L319 I334 | V109-A315 HydrophobicContact CG1-CB 4.27Å; V109-A315 HydrophobicContact CG2-CB 4.5Å; V154-A315 HydrophobicContact CB-CB 4.34Å; V154-A315 HydrophobicContact CG1-CB 3.64Å; L156-A315 HydrophobicContact CD1-CB 4.25Å; L156-A315 HydrophobicContact CD2-CB 4.06Å; L156-A315 HydrophobicContact CG-CB 4.34Å; M311-A315 WeakPolarHBondContact O-CB 3.19Å; M311-A315 PolarHBondContact O-N 2.92Å; G312-A315 PolarHBondContact O-N 2.99Å; A313-A315 VanDerWaalsContact C-N 3.3Å; A313-A315 PolarHBondContact O-N 2.8Å; A315-A318 PolarHBondContact O-N 3.22Å; A315-L319 WeakPolarHBondContact O-CG 3.19Å; A315-L319 PolarHBondContact O-N 3.17Å; A315-L319 VanDerWaalsContact O-N 3.15Å; A315-I334 HydrophobicContact CB-CG1 4.17Å |
| 316 | V | 95.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.8 | -44.6 | 175.7 | 176 | 0 | 0 | 0 | 0 | 110.5 | M13 V32 V35 G312 A313 D314 A318 L319 M320 | M13-V316 HydrophobicContact CE-CB 4.47Å; M13-V316 HydrophobicContact CE-CG1 4.11Å; M13-V316 HydrophobicContact CE-CG2 4.18Å; M13-V316 HydrophobicContact SD-CG2 4.19Å; V32-V316 HydrophobicContact CB-CG2 4.37Å; V32-V316 HydrophobicContact CG1-CG2 4.04Å; V32-V316 WeakPolarHBondContact O-CG2 3.46Å; V35-V316 HydrophobicContact CB-CB 4.29Å; V35-V316 HydrophobicContact CB-CG1 4.46Å; V35-V316 HydrophobicContact CB-CG2 4.19Å; V35-V316 HydrophobicContact CG1-CB 3.83Å; V35-V316 HydrophobicContact CG1-CG1 3.83Å; V35-V316 HydrophobicContact CG1-CG2 4.28Å; G312-V316 PolarHBondContact O-N 3.06Å; A313-V316 PolarHBondContact O-N 3.11Å; D314-V316 PolarHBondContact O-N 3.15Å; V316-A318 VanDerWaalsContact C-N 3.32Å; V316-A318 PolarHBondContact O-N 2.81Å; V316-L319 PolarHBondContact O-N 3.44Å; V316-M320 HydrophobicContact CG1-SD 4.16Å; V316-M320 WeakPolarHBondContact O-CG 3.47Å; V316-M320 PolarHBondContact O-N 2.92Å |
| 317 | L | 93.2 | Very high | 83.8 | Confident | 27 Ų | 27 | 40.5 Ų | 40.5 | 14% | 0.141 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.3 | -39.4 | 178.3 | -65.6 | 173.2 | 0 | 0 | 0 | 111.7 | A313 D314 L319 M320 D321 Y763 T765 | A313-L317 WeakPolarHBondContact O-CG 3.32Å; A313-L317 PolarHBondContact O-N 2.76Å; D314-L317 PolarHBondContact O-N 2.59Å; L317-L319 VanDerWaalsContact C-N 3.32Å; L317-L319 PolarHBondContact O-N 3.41Å; L317-M320 HydrophobicContact CD2-SD 4.25Å; L317-M320 WeakPolarHBondContact O-CB 2.98Å; L317-M320 PolarHBondContact O-N 2.85Å; L317-M320 VanDerWaalsContact O-N 3.14Å; L317-D321 WeakPolarHBondContact O-CB 3.48Å; L317-D321 PolarHBondContact O-N 2.95Å; L317-Y763 HydrophobicContact CD1-CD1 3.92Å; L317-Y763 HydrophobicContact CD1-CE1 4.13Å; L317-T765 HydrophobicContact CB-CG2 4.49Å; L317-T765 HydrophobicContact CD1-CG2 3.3Å |
| 318 | A | 92.8 | Very high | 81.6 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.4 | -39.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V154 D314 A315 V316 M320 A322 V332 I334 | V154-A318 HydrophobicContact CG2-CB 4.09Å; D314-A318 WeakPolarHBondContact O-CB 3.25Å; D314-A318 PolarHBondContact O-N 2.82Å; A315-A318 PolarHBondContact O-N 3.22Å; V316-A318 VanDerWaalsContact C-N 3.32Å; V316-A318 PolarHBondContact O-N 2.81Å; A318-M320 VanDerWaalsContact C-N 3.35Å; A318-A322 PolarHBondContact O-N 3.11Å; A318-V332 HydrophobicContact CB-CG2 4.05Å; A318-I334 HydrophobicContact CB-CD1 4.26Å |
| 319 | L | 91.8 | Very high | 79.9 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.9 | -32.5 | 175.1 | -70.7 | 167.2 | 0 | 0 | 0 | 112.8 | M13 D107 V109 R152 V154 A315 V316 L317 | M13-L319 HydrophobicContact CE-CB 4.42Å; M13-L319 HydrophobicContact CE-CD1 3.6Å; M13-L319 HydrophobicContact SD-CD1 4.12Å; D107-L319 HydrophobicContact CB-CD1 4.15Å; D107-L319 HydrophobicContact CB-CD2 4.33Å; V109-L319 HydrophobicContact CG2-CD1 3.46Å; V109-L319 VanDerWaalsContact CG2-CD1 3.46Å; R152-L319 HydrophobicContact CB-CD2 3.87Å; R152-L319 PolarHBondContact NH1-O 3.38Å; V154-L319 HydrophobicContact CB-CG 4.4Å; V154-L319 HydrophobicContact CG2-CD1 4.31Å; V154-L319 HydrophobicContact CG2-CD2 3.66Å; V154-L319 HydrophobicContact CG2-CG 3.6Å; A315-L319 WeakPolarHBondContact O-CG 3.19Å; A315-L319 PolarHBondContact O-N 3.17Å; A315-L319 VanDerWaalsContact O-N 3.15Å; V316-L319 PolarHBondContact O-N 3.44Å; L317-L319 VanDerWaalsContact C-N 3.32Å; L317-L319 PolarHBondContact O-N 3.41Å |
| 320 | M | 88.4 | Confident | 79.1 | Confident | 64 Ų | 64 | 55.6 Ų | 55.6 | 32% | 0.315 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -71.7 | -42.1 | 175.4 | -69.8 | 176.2 | 67.5 | 0 | 0 | 112.3 | N39 Y41 V316 L317 A318 A322 | N39-M320 HydrophobicContact CB-CE 3.87Å; N39-M320 HydrophobicContact CB-SD 3.59Å; N39-M320 VanDerWaalsContact CB-SD 3.59Å; N39-M320 VanDerWaalsContact CG-SD 3.51Å; N39-M320 WeakPolarHBondContact OD1-CE 3.49Å; Y41-M320 HydrophobicContact CE2-CG 3.75Å; Y41-M320 HydrophobicContact CE2-SD 4.34Å; V316-M320 HydrophobicContact CG1-SD 4.16Å; V316-M320 WeakPolarHBondContact O-CG 3.47Å; V316-M320 PolarHBondContact O-N 2.92Å; L317-M320 HydrophobicContact CD2-SD 4.25Å; L317-M320 WeakPolarHBondContact O-CB 2.98Å; L317-M320 PolarHBondContact O-N 2.85Å; L317-M320 VanDerWaalsContact O-N 3.14Å; A318-M320 VanDerWaalsContact C-N 3.35Å; M320-A322 PolarHBondContact O-N 3.23Å |
| 321 | D | 85.8 | Confident | 78.8 | Confident | 94 Ų | 94 | 54.9 Ų | 54.9 | 50% | 0.503 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.9 | -26.4 | 178.8 | -67.3 | -24.6 | 0 | 0 | 0 | 112 | L317 K323 R343 | L317-D321 WeakPolarHBondContact O-CB 3.48Å; L317-D321 PolarHBondContact O-N 2.95Å; D321-K323 PolarHBondContact O-N 3.36Å; D321-R343 IonicContact OD2-CZ 3.28Å; D321-R343 IonicContact OD2-NH1 3.09Å; D321-R343 PolarHBondContact OD2-NH1 3.26Å; D321-R343 IonicContact OD2-NH2 3.2Å; D321-R343 PolarHBondContact OD2-NH2 3.44Å |
| 322 | A | 78.2 | Confident | 78.6 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | trans | -66.5 | 89.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A318 M320 K324 | A318-A322 PolarHBondContact O-N 3.11Å; M320-A322 PolarHBondContact O-N 3.23Å; A322-K324 PolarHBondContact O-N 3.05Å | ||
| 323 | K | 60.4 | Low | 78.5 | Confident | 190 Ų | 190 | 56.4 Ų | 56.4 | 83% | 0.826 | 29% | 0.285 | S | S | * | . | trans | -61.7 | -38.2 | -175.7 | -72.5 | -176.3 | 178.8 | 177.7 | 0 | 114 | D321 | D321-K323 PolarHBondContact O-N 3.36Š| ||
| 324 | K | 53.7 | Low | 78.5 | Confident | 159 Ų | 159 | 56.4 Ų | 56.4 | 69% | 0.691 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -159.4 | 138.4 | 170.9 | -75.8 | -171 | 176.6 | 176.4 | 0 | 108.4 | A322 T326 N329 | A322-K324 PolarHBondContact O-N 3.05Å; K324-T326 HydrophobicContact CB-CG2 4.24Å; K324-T326 PolarHBondContact O-N 3.23Å; K324-N329 PolarHBondContact O-ND2 3.32Å |
| 325 | A | 50.8 | Low | 78.5 | Confident | 14 Ų | 14 | 56.3 Ų | 56.3 | 12% | 0.116 | 28% | 0.284 | C | S | . | . | trans | -64.4 | 107.4 | 165 | 0 | 0 | 0 | 0 | 0 | 107.4 | E150 R152 | E150-A325 HydrophobicContact CB-CB 3.74Å; E150-A325 WeakPolarHBondContact OE2-CB 3.14Å; E150-A325 VanDerWaalsContact OE2-O 3.1Å; R152-A325 HydrophobicContact CG-CB 4.27Å | ||
| 326 | T | 46.8 | Very low | 78.3 | Confident | 67 Ų | 67 | 56.5 Ų | 56.5 | 41% | 0.411 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -122.4 | 169.8 | 166.4 | 51.5 | 0 | 0 | 0 | 0 | 105.3 | K324 E328 N329 | K324-T326 HydrophobicContact CB-CG2 4.24Å; K324-T326 PolarHBondContact O-N 3.23Å; T326-E328 PolarHBondContact O-N 3.31Å; T326-N329 PolarHBondContact O-N 2.98Å |
| 327 | D | 47.5 | Very low | 78 | Confident | 179 Ų | 179 | 58.1 Ų | 58.1 | 96% | 0.957 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -17.6 | 174.5 | -79.5 | -33.2 | 0 | 0 | 0 | 113.3 | ||
| 328 | E | 51.6 | Low | 77.5 | Confident | 178 Ų | 178 | 57.5 Ų | 57.5 | 83% | 0.832 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -23.9 | 172.7 | -63.8 | -176.6 | 161.2 | 0 | 0 | 114 | T326 E330 | T326-E328 PolarHBondContact O-N 3.31Å; E328-E330 PolarHBondContact O-N 3.49Å |
| 329 | N | 62.9 | Low | 77 | Confident | 60 Ų | 60 | 58.4 Ų | 58.4 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -94.6 | 71.3 | 178.6 | -86.9 | -23.3 | 0 | 0 | 0 | 110.9 | R124 K324 T326 | R124-N329 PolarHBondContact NH2-O 3.22Å; K324-N329 PolarHBondContact O-ND2 3.32Å; T326-N329 PolarHBondContact O-N 2.98Å |
| 330 | E | 80.4 | Confident | 76.9 | Confident | 80 Ų | 80 | 59.6 Ų | 59.6 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | trans | -52.7 | 136.8 | 171.2 | -165.5 | 169.3 | -165.3 | 0 | 0 | 110.2 | E328 V332 S345 K348 | E328-E330 PolarHBondContact O-N 3.49Å; E330-V332 WeakPolarHBondContact O-CG1 3.12Å; E330-V332 PolarHBondContact O-N 3.29Å; E330-S345 WeakPolarHBondContact OE1-CB 3.42Å; E330-S345 PolarHBondContact OE1-OG 3.02Å; E330-S345 WeakPolarHBondContact OE2-CB 3.31Å; E330-K348 IonicContact OE1-NZ 3.33Å; E330-K348 IonicContact OE2-NZ 3.59Å; E330-K348 PolarHBondContact OE2-NZ 3.34Å | ||
| 331 | P | 89.9 | Confident | 77.1 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 5% | 0.045 | 29% | 0.291 | C | S | . | . | trans | -66.7 | 137.7 | -178.3 | 28.6 | -26.9 | 0 | 0 | 0 | 108.5 | R124 I153 L346 | R124-P331 VanDerWaalsContact NH1-CG 3.28Å; I153-P331 HydrophobicContact CD1-CB 3.63Å; I153-P331 HydrophobicContact CD1-CG 4.43Å; I153-P331 HydrophobicContact CG1-CB 3.51Å; P331-L346 HydrophobicContact CB-CB 4.24Å; P331-L346 HydrophobicContact CB-CD2 4.31Å; P331-L346 HydrophobicContact CG-CB 4.21Å; P331-L346 WeakPolarHBondContact O-CB 3.42Å; P331-L346 PolarHBondContact O-N 3.02Å | ||
| 332 | V | 93.6 | Very high | 77.4 | Confident | 35 Ų | 35 | 53.4 Ų | 53.4 | 21% | 0.212 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 147.6 | -173.8 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | V154 G155 A318 E330 I334 R343 R344 | V154-V332 WeakPolarHBondContact CA-O 3.31Å; V154-V332 HydrophobicContact CG1-CG2 4.27Å; V154-V332 HydrophobicContact CG2-CG2 3.74Å; G155-V332 PolarHBondContact N-O 2.7Å; A318-V332 HydrophobicContact CB-CG2 4.05Å; E330-V332 WeakPolarHBondContact O-CG1 3.12Å; E330-V332 PolarHBondContact O-N 3.29Å; V332-I334 HydrophobicContact CG2-CD1 4.44Å; V332-R343 HydrophobicContact CB-CB 4.48Å; V332-R344 CarbonylContact C-O 3.43Å; V332-R344 VanDerWaalsContact CA-O 3.22Å; V332-R344 WeakPolarHBondContact CA-O 3.32Å |
| 333 | V | 96.2 | Very high | 78.2 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 133.2 | 164.3 | 56.9 | 0 | 0 | 0 | 0 | 107.7 | L117 G155 V157 F164 T335 R344 L346 C349 | L117-V333 HydrophobicContact CD1-CG2 4.16Å; G155-V333 VanDerWaalsContact O-CA 3.31Å; G155-V333 WeakPolarHBondContact O-CA 3.26Å; G155-V333 WeakPolarHBondContact O-CG2 3.42Å; V157-V333 HydrophobicContact CG2-CG2 3.63Å; F164-V333 HydrophobicContact CE1-CG1 4.16Å; F164-V333 HydrophobicContact CE1-CG2 4.02Å; F164-V333 HydrophobicContact CZ-CG2 4.44Å; V333-T335 HydrophobicContact CB-CG2 4.45Å; V333-T335 HydrophobicContact CG1-CG2 3.85Å; V333-T335 HydrophobicContact CG2-CG2 4.02Å; V333-R344 HydrophobicContact CG1-CB 4.2Å; V333-R344 PolarHBondContact N-O 3.35Å; V333-R344 PolarHBondContact O-N 2.97Å; V333-L346 HydrophobicContact CB-CB 4.36Å; V333-L346 HydrophobicContact CB-CD1 4.28Å; V333-L346 HydrophobicContact CG1-CB 4.45Å; V333-C349 HydrophobicContact CG1-CB 4.26Å |
| 334 | I | 97.1 | Very high | 79.8 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 118.7 | 175.3 | -43.9 | -57.3 | 0 | 0 | 0 | 107.5 | V154 G155 L156 M311 D314 A315 A318 V332 L341 R343 | V154-I334 HydrophobicContact CG1-CD1 3.93Å; V154-I334 HydrophobicContact CG1-CG1 3.76Å; G155-I334 PolarHBondContact O-N 3.1Å; L156-I334 HydrophobicContact CD2-CB 3.59Å; L156-I334 HydrophobicContact CD2-CG1 3.55Å; M311-I334 HydrophobicContact CB-CG2 4.27Å; M311-I334 HydrophobicContact CG-CB 4.43Å; M311-I334 HydrophobicContact CG-CG2 3.91Å; D314-I334 HydrophobicContact CB-CG2 4.25Å; A315-I334 HydrophobicContact CB-CG1 4.17Å; A318-I334 HydrophobicContact CB-CD1 4.26Å; V332-I334 HydrophobicContact CG2-CD1 4.44Å; I334-L341 HydrophobicContact CG2-CD1 4.43Å; I334-R343 HydrophobicContact CD1-CG 3.83Å |
| 335 | T | 95 | Very high | 81.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 169.9 | -176.6 | 73 | 0 | 0 | 0 | 0 | 112 | G166 V333 L341 V342 R344 | G166-T335 VanDerWaalsContact O-CB 3.29Å; G166-T335 WeakPolarHBondContact O-CB 3.23Å; G166-T335 PolarHBondContact O-OG1 3.17Å; V333-T335 HydrophobicContact CB-CG2 4.45Å; V333-T335 HydrophobicContact CG1-CG2 3.85Å; V333-T335 HydrophobicContact CG2-CG2 4.02Å; T335-L341 WeakPolarHBondContact O-CA 3.15Å; T335-V342 PolarHBondContact N-O 2.9Å; T335-V342 PolarHBondContact O-N 3.32Å; T335-V342 PolarHBondContact OG1-O 3.09Å; T335-R344 HydrophobicContact CG2-CB 4.41Å; T335-R344 WeakPolarHBondContact OG1-CD 3.33Å; T335-R344 PolarHBondContact OG1-NE 2.84Å |
| 336 | L | 92.7 | Very high | 83.7 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.3 | 173.8 | -164.4 | 70.5 | 0 | 0 | 0 | 109.7 | T167 D168 M169 F303 L307 M311 L341 | T167-L336 WeakPolarHBondContact CA-O 3.27Å; T167-L336 PolarHBondContact OG1-N 3.07Å; D168-L336 PolarHBondContact N-O 3.45Å; M169-L336 HydrophobicContact CB-CD2 4.13Å; F303-L336 HydrophobicContact CZ-CD2 3.89Å; L307-L336 HydrophobicContact CD1-CB 4.43Å; L307-L336 HydrophobicContact CD1-CD1 3.76Å; L307-L336 HydrophobicContact CD1-CD2 4.17Å; L307-L336 HydrophobicContact CD1-CG 4.35Å; M311-L336 HydrophobicContact CE-CB 4.3Å; L336-L341 HydrophobicContact CD1-CD2 3.96Å |
| 337 | D | 89 | Confident | 85.8 | Confident | 35 Ų | 35 | 41.6 Ų | 41.6 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 107.2 | 171.6 | -177.1 | -0.4 | 0 | 0 | 0 | 108 | D168 N339 V340 V342 R344 R720 | D168-D337 WeakPolarHBondContact OD2-CA 3.09Å; D337-N339 PolarHBondContact O-N 3.17Å; D337-V340 PolarHBondContact N-O 3.46Å; D337-V340 PolarHBondContact O-N 2.9Å; D337-V340 VanDerWaalsContact O-N 3.09Å; D337-V342 HydrophobicContact CB-CG2 3.74Å; D337-R344 IonicContact OD2-NH2 2.73Å; D337-R344 PolarHBondContact OD2-NH2 3.07Å; D337-R344 VanDerWaalsContact OD2-NH2 3.1Å; D337-R720 WeakPolarHBondContact O-CG 3.46Å; D337-R720 IonicContact OD2-CZ 3.53Å; D337-R720 IonicContact OD2-NE 3.37Å; D337-R720 IonicContact OD2-NH1 2.75Å; D337-R720 PolarHBondContact OD2-NH1 3.37Å |
| 338 | G | 83.2 | Confident | 88 | Confident | 13 Ų | 13 | 38.3 Ų | 38.3 | 13% | 0.134 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.2 | 60.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D168 V340 H719 | D168-G338 PolarHBondContact OD2-N 3.38Å; G338-V340 PolarHBondContact O-N 3.41Å; G338-H719 CarbonylContact O-C 3.54Å |
| 339 | N | 83.1 | Confident | 90 | Very high | 29 Ų | 29 | 30 Ų | 30 | 16% | 0.155 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 0.3 | 179.4 | -64.1 | -23.5 | 0 | 0 | 0 | 116.8 | R310 D337 Y541 | R310-N339 PolarHBondContact NH2-O 2.8Å; D337-N339 PolarHBondContact O-N 3.17Å; N339-Y541 HydrophobicContact CB-CE2 3.65Å; N339-Y541 VanDerWaalsContact ND2-CE2 3.33Å; N339-Y541 WeakPolarHBondContact ND2-CE2 3.28Å |
| 340 | V | 88.5 | Confident | 91.4 | Very high | 26 Ų | 26 | 27.6 Ų | 27.6 | 16% | 0.158 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 136.7 | 172.5 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | D337 G338 H719 R720 | D337-V340 PolarHBondContact N-O 3.46Å; D337-V340 PolarHBondContact O-N 2.9Å; D337-V340 VanDerWaalsContact O-N 3.09Å; G338-V340 PolarHBondContact O-N 3.41Å; V340-H719 HydrophobicContact CG2-CB 4.34Å; V340-R720 HydrophobicContact CG2-CG 4.33Å |
| 341 | L | 92.8 | Very high | 91.9 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 134.4 | 173 | -67.1 | -171.4 | 0 | 0 | 0 | 109.8 | L307 R310 M311 D314 I334 T335 L336 | L307-L341 HydrophobicContact CD1-CD2 4.06Å; R310-L341 HydrophobicContact CB-CD1 3.55Å; R310-L341 HydrophobicContact CB-CG 4.49Å; M311-L341 HydrophobicContact CE-CD2 3.95Å; M311-L341 HydrophobicContact CG-CD1 4.26Å; M311-L341 HydrophobicContact CG-CD2 3.67Å; D314-L341 HydrophobicContact CB-CD1 4.3Å; I334-L341 HydrophobicContact CG2-CD1 4.43Å; T335-L341 WeakPolarHBondContact O-CA 3.15Å; L336-L341 HydrophobicContact CD1-CD2 3.96Å |
| 342 | V | 92.9 | Very high | 92.1 | Very high | 22 Ų | 22 | 32.4 Ų | 32.4 | 13% | 0.133 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 136.4 | 179.4 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | T335 D337 R344 | T335-V342 PolarHBondContact N-O 2.9Å; T335-V342 PolarHBondContact O-N 3.32Å; T335-V342 PolarHBondContact OG1-O 3.09Å; D337-V342 HydrophobicContact CB-CG2 3.74Å; V342-R344 HydrophobicContact CG1-CG 4.27Å |
| 343 | R | 94.2 | Very high | 92 | Very high | 69 Ų | 69 | 31.1 Ų | 31.1 | 26% | 0.26 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 122.6 | 171.3 | -54.9 | -177.9 | -174.4 | 168.8 | -0.2 | 108 | D314 D321 V332 I334 | D314-R343 IonicContact OD1-CZ 2.7Å; D314-R343 IonicContact OD1-NE 2.67Å; D314-R343 PolarHBondContact OD1-NE 3.19Å; D314-R343 VanDerWaalsContact OD1-NE 3.15Å; D314-R343 IonicContact OD1-NH2 3.13Å; D314-R343 PolarHBondContact OD1-NH2 2.55Å; D314-R343 IonicContact OD2-NE 2.86Å; D314-R343 PolarHBondContact OD2-NE 2.94Å; D321-R343 IonicContact OD2-CZ 3.28Å; D321-R343 IonicContact OD2-NH1 3.09Å; D321-R343 PolarHBondContact OD2-NH1 3.26Å; D321-R343 IonicContact OD2-NH2 3.2Å; D321-R343 PolarHBondContact OD2-NH2 3.44Å; V332-R343 HydrophobicContact CB-CB 4.48Å; I334-R343 HydrophobicContact CD1-CG 3.83Å |
| 344 | R | 93.2 | Very high | 91.8 | Very high | 89 Ų | 89 | 35.4 Ų | 35.4 | 34% | 0.336 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 157.2 | 177.4 | -67.6 | -171.9 | -179.8 | -109.9 | -0.6 | 110.6 | G166 V332 V333 T335 D337 V342 L346 | G166-R344 WeakPolarHBondContact O-CD 3.28Å; G166-R344 PolarHBondContact O-NE 3.39Å; G166-R344 VanDerWaalsContact O-NE 3.1Å; V332-R344 CarbonylContact C-O 3.43Å; V332-R344 VanDerWaalsContact CA-O 3.22Å; V332-R344 WeakPolarHBondContact CA-O 3.32Å; V333-R344 HydrophobicContact CG1-CB 4.2Å; V333-R344 PolarHBondContact N-O 3.35Å; V333-R344 PolarHBondContact O-N 2.97Å; T335-R344 HydrophobicContact CG2-CB 4.41Å; T335-R344 WeakPolarHBondContact OG1-CD 3.33Å; T335-R344 PolarHBondContact OG1-NE 2.84Å; D337-R344 IonicContact OD2-NH2 2.73Å; D337-R344 PolarHBondContact OD2-NH2 3.07Å; D337-R344 VanDerWaalsContact OD2-NH2 3.1Å; V342-R344 HydrophobicContact CG1-CG 4.27Å; R344-L346 PolarHBondContact O-N 3.15Å |
| 345 | S | 93.7 | Very high | 91.6 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 11% | 0.105 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 121.8 | 169.2 | 165.7 | 0 | 0 | 0 | 0 | 110.3 | E330 T347 K348 C349 | E330-S345 WeakPolarHBondContact OE1-CB 3.42Å; E330-S345 PolarHBondContact OE1-OG 3.02Å; E330-S345 WeakPolarHBondContact OE2-CB 3.31Å; S345-T347 VanDerWaalsContact C-N 3.32Å; S345-T347 PolarHBondContact OG-N 2.91Å; S345-K348 WeakPolarHBondContact OG-CG 3.34Å; S345-K348 PolarHBondContact OG-N 3.39Å; S345-C349 PolarHBondContact O-N 3.42Å; S345-C349 PolarHBondContact O-SG 3.16Å |
| 346 | L | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 172.6 | 170.5 | 60.2 | 0 | 0 | 0 | 110.4 | L117 L120 N121 I153 F164 P331 V333 R344 K348 C349 V350 | L117-L346 HydrophobicContact CB-CD1 3.83Å; L117-L346 HydrophobicContact CD1-CD1 4.41Å; L120-L346 HydrophobicContact CD2-CD2 4.33Å; N121-L346 HydrophobicContact CB-CD2 4.04Å; N121-L346 HydrophobicContact CB-CG 4.36Å; I153-L346 HydrophobicContact CD1-CD2 3.78Å; F164-L346 HydrophobicContact CZ-CD1 4.2Å; P331-L346 HydrophobicContact CB-CB 4.24Å; P331-L346 HydrophobicContact CB-CD2 4.31Å; P331-L346 HydrophobicContact CG-CB 4.21Å; P331-L346 WeakPolarHBondContact O-CB 3.42Å; P331-L346 PolarHBondContact O-N 3.02Å; V333-L346 HydrophobicContact CB-CB 4.36Å; V333-L346 HydrophobicContact CB-CD1 4.28Å; V333-L346 HydrophobicContact CG1-CB 4.45Å; R344-L346 PolarHBondContact O-N 3.15Å; L346-K348 PolarHBondContact O-N 2.9Å; L346-C349 PolarHBondContact O-N 2.7Å; L346-V350 HydrophobicContact CD1-CG2 3.84Å; L346-V350 HydrophobicContact CG-CG2 4.43Å; L346-V350 VanDerWaalsContact O-CG2 3.31Å; L346-V350 WeakPolarHBondContact O-CG2 3.16Å; L346-V350 PolarHBondContact O-N 3.09Å |
| 347 | T | 91.5 | Very high | 91.5 | Very high | 26 Ų | 26 | 43 Ų | 43 | 16% | 0.16 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.1 | -52 | -179 | -50.2 | 0 | 0 | 0 | 0 | 111.5 | S345 C349 V350 E351 | S345-T347 VanDerWaalsContact C-N 3.32Å; S345-T347 PolarHBondContact OG-N 2.91Å; T347-C349 VanDerWaalsContact C-N 3.33Å; T347-C349 PolarHBondContact O-N 2.82Å; T347-V350 PolarHBondContact O-N 3.45Å; T347-E351 WeakPolarHBondContact O-CG 3.31Å; T347-E351 PolarHBondContact O-N 3Å |
| 348 | K | 93.2 | Very high | 91.8 | Very high | 110 Ų | 110 | 44.1 Ų | 44.1 | 48% | 0.478 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.6 | -38.5 | -179 | -66.9 | 173.2 | -174.5 | 147.6 | 0 | 112.2 | E330 S345 L346 E351 Q352 | E330-K348 IonicContact OE1-NZ 3.33Å; E330-K348 IonicContact OE2-NZ 3.59Å; E330-K348 PolarHBondContact OE2-NZ 3.34Å; S345-K348 WeakPolarHBondContact OG-CG 3.34Å; S345-K348 PolarHBondContact OG-N 3.39Å; L346-K348 PolarHBondContact O-N 2.9Å; K348-E351 PolarHBondContact O-N 3.2Å; K348-Q352 WeakPolarHBondContact O-CG 3.21Å; K348-Q352 PolarHBondContact O-N 2.96Å |
| 349 | C | 93.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.5 | -38 | 178.1 | -65 | 0 | 0 | 0 | 0 | 111.7 | F164 C165 V333 S345 L346 T347 T353 | F164-C349 HydrophobicContact CD1-CB 4.42Å; F164-C349 HydrophobicContact CE1-CB 3.47Å; F164-C349 VanDerWaalsContact CE1-CB 3.47Å; F164-C349 HydrophobicContact CZ-CB 3.58Å; C165-C349 WeakPolarHBondContact O-CB 3.3Å; V333-C349 HydrophobicContact CG1-CB 4.26Å; S345-C349 PolarHBondContact O-N 3.42Å; S345-C349 PolarHBondContact O-SG 3.16Å; L346-C349 PolarHBondContact O-N 2.7Å; T347-C349 VanDerWaalsContact C-N 3.33Å; T347-C349 PolarHBondContact O-N 2.82Å; C349-T353 WeakPolarHBondContact O-CB 3.35Å; C349-T353 PolarHBondContact O-N 3.17Å; C349-T353 PolarHBondContact O-OG1 3.41Å |
| 350 | V | 91.6 | Very high | 92.7 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.1 | -46.3 | 174.8 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | T118 F164 L346 T347 Q352 T353 L354 | T118-V350 HydrophobicContact CG2-CG1 4.05Å; F164-V350 HydrophobicContact CE2-CG2 4.1Å; F164-V350 HydrophobicContact CZ-CG2 4.32Å; L346-V350 HydrophobicContact CD1-CG2 3.84Å; L346-V350 HydrophobicContact CG-CG2 4.43Å; L346-V350 VanDerWaalsContact O-CG2 3.31Å; L346-V350 WeakPolarHBondContact O-CG2 3.16Å; L346-V350 PolarHBondContact O-N 3.09Å; T347-V350 PolarHBondContact O-N 3.45Å; V350-Q352 PolarHBondContact O-N 2.99Å; V350-T353 WeakPolarHBondContact O-CB 3.32Å; V350-T353 PolarHBondContact O-N 3.31Å; V350-T353 VanDerWaalsContact O-N 3.15Å; V350-L354 HydrophobicContact CG1-CD1 4.31Å; V350-L354 WeakPolarHBondContact O-CG 3.49Å; V350-L354 PolarHBondContact O-N 2.77Å |
| 351 | E | 92.5 | Very high | 92.9 | Very high | 104 Ų | 104 | 47.2 Ų | 47.2 | 49% | 0.486 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -56.9 | -50.7 | 176.8 | -73.1 | 169 | 176.8 | 0 | 0 | 111.8 | T347 K348 T353 L354 E355 | T347-E351 WeakPolarHBondContact O-CG 3.31Å; T347-E351 PolarHBondContact O-N 3Å; K348-E351 PolarHBondContact O-N 3.2Å; E351-T353 VanDerWaalsContact C-N 3.26Å; E351-T353 PolarHBondContact O-N 2.84Å; E351-L354 WeakPolarHBondContact O-CB 3.39Å; E351-L354 PolarHBondContact O-N 3.12Å; E351-E355 PolarHBondContact O-N 3.23Å |
| 352 | Q | 92.5 | Very high | 93 | Very high | 84 Ų | 84 | 50.5 Ų | 50.5 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60 | -36.6 | 176.7 | -72.4 | 177.8 | -15.9 | 0 | 0 | 112.6 | C165 K348 V350 L354 E355 V356 | C165-Q352 HydrophobicContact CB-CB 3.66Å; K348-Q352 WeakPolarHBondContact O-CG 3.21Å; K348-Q352 PolarHBondContact O-N 2.96Å; V350-Q352 PolarHBondContact O-N 2.99Å; Q352-L354 VanDerWaalsContact C-N 3.32Å; Q352-L354 PolarHBondContact O-N 2.96Å; Q352-E355 WeakPolarHBondContact O-CB 3.18Å; Q352-E355 PolarHBondContact O-N 3.47Å; Q352-V356 PolarHBondContact O-N 3.48Å; Q352-V356 VanDerWaalsContact O-N 3.11Å |
| 353 | T | 92.4 | Very high | 93 | Very high | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.043 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.7 | -35.2 | 176.9 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | D114 C165 C349 V350 E351 K357 | D114-T353 HydrophobicContact CB-CG2 4.26Å; C165-T353 PolarHBondContact N-OG1 3.23Å; C349-T353 WeakPolarHBondContact O-CB 3.35Å; C349-T353 PolarHBondContact O-N 3.17Å; C349-T353 PolarHBondContact O-OG1 3.41Å; V350-T353 WeakPolarHBondContact O-CB 3.32Å; V350-T353 PolarHBondContact O-N 3.31Å; V350-T353 VanDerWaalsContact O-N 3.15Å; E351-T353 VanDerWaalsContact C-N 3.26Å; E351-T353 PolarHBondContact O-N 2.84Å; T353-K357 PolarHBondContact O-N 2.92Å |
| 354 | L | 91.4 | Very high | 93 | Very high | 91 Ų | 91 | 55 Ų | 55 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.4 | -37.3 | 173.1 | -66 | 171.7 | 0 | 0 | 0 | 111.7 | V350 E351 Q352 V356 K357 A358 | V350-L354 HydrophobicContact CG1-CD1 4.31Å; V350-L354 WeakPolarHBondContact O-CG 3.49Å; V350-L354 PolarHBondContact O-N 2.77Å; E351-L354 WeakPolarHBondContact O-CB 3.39Å; E351-L354 PolarHBondContact O-N 3.12Å; Q352-L354 VanDerWaalsContact C-N 3.32Å; Q352-L354 PolarHBondContact O-N 2.96Å; L354-V356 VanDerWaalsContact C-N 3.3Å; L354-V356 PolarHBondContact O-N 3.04Å; L354-K357 HydrophobicContact CD2-CD 4.43Å; L354-K357 WeakPolarHBondContact O-CB 3.22Å; L354-K357 PolarHBondContact O-N 3.13Å; L354-K357 VanDerWaalsContact O-N 3.14Å; L354-A358 PolarHBondContact O-N 3.1Å |
| 355 | E | 94.3 | Very high | 93 | Very high | 88 Ų | 88 | 53.1 Ų | 53.1 | 41% | 0.411 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.3 | -39.4 | 174 | -72.2 | -179.6 | -150.7 | 0 | 0 | 112.2 | E351 Q352 K357 A358 A359 R367 L371 | E351-E355 PolarHBondContact O-N 3.23Å; Q352-E355 WeakPolarHBondContact O-CB 3.18Å; Q352-E355 PolarHBondContact O-N 3.47Å; E355-K357 VanDerWaalsContact C-N 3.32Å; E355-K357 PolarHBondContact O-N 3.37Å; E355-A358 PolarHBondContact O-N 3.16Å; E355-A359 WeakPolarHBondContact O-CB 3.5Å; E355-A359 PolarHBondContact O-N 3.32Å; E355-R367 IonicContact OE2-NH2 2.84Å; E355-R367 PolarHBondContact OE2-NH2 3.27Å; E355-L371 HydrophobicContact CB-CD1 3.89Å |
| 356 | V | 92.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 175.1 | 174.9 | 0 | 0 | 0 | 0 | 111 | Q352 L354 A358 A359 L360 L371 | Q352-V356 PolarHBondContact O-N 3.48Å; Q352-V356 VanDerWaalsContact O-N 3.11Å; L354-V356 VanDerWaalsContact C-N 3.3Å; L354-V356 PolarHBondContact O-N 3.04Å; V356-A358 VanDerWaalsContact C-N 3.33Å; V356-A358 PolarHBondContact O-N 3.45Å; V356-A359 PolarHBondContact O-N 3.48Å; V356-L360 HydrophobicContact CG1-CD1 4.13Å; V356-L360 HydrophobicContact CG1-CG 4.48Å; V356-L360 WeakPolarHBondContact O-CG 3.45Å; V356-L360 PolarHBondContact O-N 3.38Å; V356-L371 HydrophobicContact CG2-CB 3.47Å; V356-L371 VanDerWaalsContact CG2-CB 3.47Å; V356-L371 HydrophobicContact CG2-CD1 4.01Å; V356-L371 HydrophobicContact CG2-CG 4.35Å |
| 357 | K | 91.5 | Very high | 92.9 | Very high | 74 Ų | 74 | 64.3 Ų | 64.3 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 178.7 | -66.8 | 175 | -175.2 | 173.5 | 0 | 110.5 | D114 T353 L354 E355 A359 L360 D361 | D114-K357 IonicContact OD2-NZ 3.38Å; D114-K357 PolarHBondContact OD2-NZ 3.45Å; T353-K357 PolarHBondContact O-N 2.92Å; L354-K357 HydrophobicContact CD2-CD 4.43Å; L354-K357 WeakPolarHBondContact O-CB 3.22Å; L354-K357 PolarHBondContact O-N 3.13Å; L354-K357 VanDerWaalsContact O-N 3.14Å; E355-K357 VanDerWaalsContact C-N 3.32Å; E355-K357 PolarHBondContact O-N 3.37Å; K357-A359 PolarHBondContact O-N 3.23Å; K357-L360 PolarHBondContact O-N 3.37Å; K357-D361 PolarHBondContact O-N 2.75Å |
| 358 | A | 95 | Very high | 93 | Very high | 59 Ų | 59 | 63.1 Ų | 63.1 | 49% | 0.488 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L354 E355 V356 D361 A362 | L354-A358 PolarHBondContact O-N 3.1Å; E355-A358 PolarHBondContact O-N 3.16Å; V356-A358 VanDerWaalsContact C-N 3.33Å; V356-A358 PolarHBondContact O-N 3.45Å; A358-D361 PolarHBondContact O-N 3.46Å; A358-A362 VanDerWaalsContact O-CB 3.27Å; A358-A362 WeakPolarHBondContact O-CB 3.43Å; A358-A362 PolarHBondContact O-N 3.38Å |
| 359 | A | 94.7 | Very high | 92.9 | Very high | 11 Ų | 11 | 58.9 Ų | 58.9 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63 | -42.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E355 V356 K357 A362 K363 D364 R367 A368 L371 | E355-A359 WeakPolarHBondContact O-CB 3.5Å; E355-A359 PolarHBondContact O-N 3.32Å; V356-A359 PolarHBondContact O-N 3.48Å; K357-A359 PolarHBondContact O-N 3.23Å; A359-A362 CarbonylContact O-C 3.41Å; A359-A362 PolarHBondContact O-N 2.94Å; A359-K363 PolarHBondContact O-N 3.48Å; A359-K363 VanDerWaalsContact O-N 3.13Å; A359-D364 PolarHBondContact O-N 2.89Å; A359-R367 HydrophobicContact CB-CB 4.34Å; A359-R367 HydrophobicContact CB-CG 4.18Å; A359-A368 HydrophobicContact CB-CB 4.3Å; A359-L371 HydrophobicContact CB-CD1 4.37Å |
| 360 | L | 91.6 | Very high | 92.9 | Very high | 16 Ų | 16 | 62.9 Ų | 62.9 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 175.5 | -70.2 | 173 | 0 | 0 | 0 | 111.9 | V356 K357 A362 K363 W365 A368 | V356-L360 HydrophobicContact CG1-CD1 4.13Å; V356-L360 HydrophobicContact CG1-CG 4.48Å; V356-L360 WeakPolarHBondContact O-CG 3.45Å; V356-L360 PolarHBondContact O-N 3.38Å; K357-L360 PolarHBondContact O-N 3.37Å; L360-A362 VanDerWaalsContact C-N 3.3Å; L360-A362 PolarHBondContact O-N 3.4Å; L360-K363 PolarHBondContact O-N 3.49Å; L360-K363 VanDerWaalsContact O-N 3.14Å; L360-W365 HydrophobicContact CD2-CE3 4.05Å; L360-W365 HydrophobicContact CD2-CZ3 4.04Å; L360-W365 WeakPolarHBondContact O-CZ3 3.22Å; L360-A368 HydrophobicContact CD2-CB 3.69Å; L360-A368 HydrophobicContact CG-CB 4.07Å |
| 361 | D | 92.4 | Very high | 92.8 | Very high | 105 Ų | 105 | 63.8 Ų | 63.8 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.8 | -34.6 | 178.1 | -69.1 | -28.5 | 0 | 0 | 0 | 111.7 | R206 K357 A358 K363 | R206-D361 IonicContact CZ-OD1 3.98Å; R206-D361 IonicContact NH1-OD1 3.59Å; R206-D361 PolarHBondContact NH1-OD1 3.28Å; R206-D361 IonicContact NH1-OD2 2.76Å; K357-D361 PolarHBondContact O-N 2.75Å; A358-D361 PolarHBondContact O-N 3.46Å; D361-K363 PolarHBondContact O-N 3.47Å |
| 362 | A | 94.6 | Very high | 92.7 | Very high | 76 Ų | 76 | 60.9 Ų | 60.9 | 63% | 0.628 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -1.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A358 A359 L360 D364 | A358-A362 VanDerWaalsContact O-CB 3.27Å; A358-A362 WeakPolarHBondContact O-CB 3.43Å; A358-A362 PolarHBondContact O-N 3.38Å; A359-A362 CarbonylContact O-C 3.41Å; A359-A362 PolarHBondContact O-N 2.94Å; L360-A362 VanDerWaalsContact C-N 3.3Å; L360-A362 PolarHBondContact O-N 3.4Å; A362-D364 PolarHBondContact O-N 3.29Å |
| 363 | K | 93.5 | Very high | 92.5 | Very high | 107 Ų | 107 | 58.1 Ų | 58.1 | 47% | 0.465 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 26.3 | -175.7 | -50.6 | -176.1 | -170.6 | 178.5 | 0 | 114.4 | T265 A359 L360 D361 W365 | T265-K363 WeakPolarHBondContact O-CE 3.4Å; T265-K363 PolarHBondContact O-NZ 3.26Å; A359-K363 PolarHBondContact O-N 3.48Å; A359-K363 VanDerWaalsContact O-N 3.13Å; L360-K363 PolarHBondContact O-N 3.49Å; L360-K363 VanDerWaalsContact O-N 3.14Å; D361-K363 PolarHBondContact O-N 3.47Å; K363-W365 VanDerWaalsContact CA-CZ2 3.5Å; K363-W365 HydrophobicContact CB-CH2 3.78Å; K363-W365 HydrophobicContact CB-CZ2 3.34Å; K363-W365 HydrophobicContact CD-CZ2 4.21Å; K363-W365 HydrophobicContact CG-CH2 3.75Å; K363-W365 HydrophobicContact CG-CZ2 3.6Å; K363-W365 PolarHBondContact O-N 2.88Å; K363-W365 PolarHBondContact O-NE1 2.98Å |
| 364 | D | 94.4 | Very high | 92.2 | Very high | 78 Ų | 78 | 65.2 Ų | 65.2 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | trans | -90.1 | 77.2 | 172 | -169.8 | -11.4 | 0 | 0 | 0 | 110.5 | A359 A362 K366 R367 A368 | A359-D364 PolarHBondContact O-N 2.89Å; A362-D364 PolarHBondContact O-N 3.29Å; D364-K366 VanDerWaalsContact C-N 3.31Å; D364-K366 PolarHBondContact O-N 3.3Å; D364-R367 HydrophobicContact CB-CB 4.15Å; D364-R367 PolarHBondContact O-N 3.35Å; D364-R367 WeakPolarHBondContact OD1-CB 3.42Å; D364-R367 PolarHBondContact OD1-N 3.36Å; D364-R367 VanDerWaalsContact OD2-CB 3.27Å; D364-R367 WeakPolarHBondContact OD2-CB 3.45Å; D364-A368 PolarHBondContact O-N 2.67Å | ||
| 365 | W | 91.9 | Very high | 92 | Very high | 50 Ų | 50 | 62.2 Ų | 62.2 | 19% | 0.189 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64 | -35.9 | -175.4 | -41.5 | 124.9 | 0 | 0 | 0 | 112.8 | P229 L360 K363 A368 I369 | P229-W365 HydrophobicContact CG-CD2 3.51Å; P229-W365 VanDerWaalsContact CG-CE2 3.4Å; P229-W365 HydrophobicContact CG-CE3 4.05Å; P229-W365 HydrophobicContact CG-CG 3.77Å; P229-W365 HydrophobicContact CG-CH2 4.35Å; P229-W365 HydrophobicContact CG-CZ2 3.85Å; P229-W365 HydrophobicContact CG-CZ3 4.45Å; L360-W365 HydrophobicContact CD2-CE3 4.05Å; L360-W365 HydrophobicContact CD2-CZ3 4.04Å; L360-W365 WeakPolarHBondContact O-CZ3 3.22Å; K363-W365 VanDerWaalsContact CA-CZ2 3.5Å; K363-W365 HydrophobicContact CB-CH2 3.78Å; K363-W365 HydrophobicContact CB-CZ2 3.34Å; K363-W365 HydrophobicContact CD-CZ2 4.21Å; K363-W365 HydrophobicContact CG-CH2 3.75Å; K363-W365 HydrophobicContact CG-CZ2 3.6Å; K363-W365 PolarHBondContact O-N 2.88Å; K363-W365 PolarHBondContact O-NE1 2.98Å; W365-A368 PolarHBondContact O-N 2.82Å; W365-I369 WeakPolarHBondContact O-CG1 3.38Å; W365-I369 PolarHBondContact O-N 3.23Å |
| 366 | K | 92.3 | Very high | 91.8 | Very high | 151 Ų | 151 | 58.4 Ų | 58.4 | 66% | 0.657 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.2 | -47.3 | 179.7 | -174 | -178.5 | 175.4 | -172 | 0 | 109.8 | D364 A368 I369 E370 | D364-K366 VanDerWaalsContact C-N 3.31Å; D364-K366 PolarHBondContact O-N 3.3Å; K366-A368 VanDerWaalsContact C-N 3.31Å; K366-A368 PolarHBondContact O-N 3.09Å; K366-I369 PolarHBondContact O-N 2.84Å; K366-E370 VanDerWaalsContact CE-OE1 3.24Å; K366-E370 WeakPolarHBondContact CE-OE1 3.44Å; K366-E370 WeakPolarHBondContact O-CG 3.48Å; K366-E370 PolarHBondContact O-N 3.26Å |
| 367 | R | 93.7 | Very high | 91.7 | Very high | 100 Ų | 100 | 62 Ų | 62 | 38% | 0.377 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 175.8 | -177.3 | 58 | 179.7 | 165.3 | 2.2 | 112 | E355 A359 D364 I369 E370 L371 | E355-R367 IonicContact OE2-NH2 2.84Å; E355-R367 PolarHBondContact OE2-NH2 3.27Å; A359-R367 HydrophobicContact CB-CB 4.34Å; A359-R367 HydrophobicContact CB-CG 4.18Å; D364-R367 HydrophobicContact CB-CB 4.15Å; D364-R367 PolarHBondContact O-N 3.35Å; D364-R367 WeakPolarHBondContact OD1-CB 3.42Å; D364-R367 PolarHBondContact OD1-N 3.36Å; D364-R367 VanDerWaalsContact OD2-CB 3.27Å; D364-R367 WeakPolarHBondContact OD2-CB 3.45Å; R367-I369 PolarHBondContact O-N 3.37Å; R367-E370 IonicContact NH1-OE2 2.96Å; R367-E370 PolarHBondContact O-N 3.43Å; R367-L371 HydrophobicContact CG-CD1 3.9Å; R367-L371 HydrophobicContact CG-CG 4.28Å; R367-L371 WeakPolarHBondContact O-CB 3.12Å; R367-L371 VanDerWaalsContact O-CG 3.28Å; R367-L371 WeakPolarHBondContact O-CG 3.47Å; R367-L371 PolarHBondContact O-N 2.79Å |
| 368 | A | 92.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | A359 L360 D364 W365 K366 L371 R372 | A359-A368 HydrophobicContact CB-CB 4.3Å; L360-A368 HydrophobicContact CD2-CB 3.69Å; L360-A368 HydrophobicContact CG-CB 4.07Å; D364-A368 PolarHBondContact O-N 2.67Å; W365-A368 PolarHBondContact O-N 2.82Å; K366-A368 VanDerWaalsContact C-N 3.31Å; K366-A368 PolarHBondContact O-N 3.09Å; A368-L371 PolarHBondContact O-N 3.35Å; A368-R372 VanDerWaalsContact O-CG 3.3Å; A368-R372 WeakPolarHBondContact O-CG 3.32Å; A368-R372 PolarHBondContact O-N 3.15Å |
| 369 | I | 92.3 | Very high | 91.5 | Very high | 21 Ų | 21 | 62.3 Ų | 62.3 | 11% | 0.108 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 176.2 | -68.9 | 171.6 | 0 | 0 | 0 | 111.3 | E227 W365 K366 R367 L371 R372 G373 F376 Q377 | E227-I369 HydrophobicContact CB-CG1 3.96Å; E227-I369 WeakPolarHBondContact O-CD1 3.36Å; W365-I369 WeakPolarHBondContact O-CG1 3.38Å; W365-I369 PolarHBondContact O-N 3.23Å; K366-I369 PolarHBondContact O-N 2.84Å; R367-I369 PolarHBondContact O-N 3.37Å; I369-L371 VanDerWaalsContact C-N 3.34Å; I369-L371 PolarHBondContact O-N 3.47Å; I369-R372 PolarHBondContact O-N 3.45Å; I369-G373 PolarHBondContact O-N 3.45Å; I369-F376 HydrophobicContact CG2-CD1 4.46Å; I369-Q377 HydrophobicContact CG2-CB 4.04Å; I369-Q377 HydrophobicContact CG2-CG 4.19Å |
| 370 | E | 92.1 | Very high | 91.3 | Very high | 89 Ų | 89 | 63.1 Ų | 63.1 | 42% | 0.416 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 178.3 | -73.9 | 173.7 | -173.6 | 0 | 0 | 111.9 | K366 R367 G373 | K366-E370 VanDerWaalsContact CE-OE1 3.24Å; K366-E370 WeakPolarHBondContact CE-OE1 3.44Å; K366-E370 WeakPolarHBondContact O-CG 3.48Å; K366-E370 PolarHBondContact O-N 3.26Å; R367-E370 IonicContact NH1-OE2 2.96Å; R367-E370 PolarHBondContact O-N 3.43Å; E370-G373 WeakPolarHBondContact O-CA 3.16Å; E370-G373 PolarHBondContact O-N 2.82Å; E370-G373 VanDerWaalsContact O-N 3.1Å |
| 371 | L | 91 | Very high | 91.3 | Very high | 28 Ų | 28 | 67 Ų | 67 | 15% | 0.147 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.3 | -34.2 | 178.6 | -75.6 | 171.7 | 0 | 0 | 0 | 113 | E355 V356 A359 R367 A368 I369 G373 | E355-L371 HydrophobicContact CB-CD1 3.89Å; V356-L371 HydrophobicContact CG2-CB 3.47Å; V356-L371 VanDerWaalsContact CG2-CB 3.47Å; V356-L371 HydrophobicContact CG2-CD1 4.01Å; V356-L371 HydrophobicContact CG2-CG 4.35Å; A359-L371 HydrophobicContact CB-CD1 4.37Å; R367-L371 HydrophobicContact CG-CD1 3.9Å; R367-L371 HydrophobicContact CG-CG 4.28Å; R367-L371 WeakPolarHBondContact O-CB 3.12Å; R367-L371 VanDerWaalsContact O-CG 3.28Å; R367-L371 WeakPolarHBondContact O-CG 3.47Å; R367-L371 PolarHBondContact O-N 2.79Å; A368-L371 PolarHBondContact O-N 3.35Å; I369-L371 VanDerWaalsContact C-N 3.34Å; I369-L371 PolarHBondContact O-N 3.47Å; L371-G373 PolarHBondContact O-N 3.01Å |
| 372 | R | 89.5 | Confident | 91.1 | Very high | 43 Ų | 43 | 62.5 Ų | 62.5 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.6 | -22.4 | 171.6 | -70 | -71.2 | -169.4 | -148.5 | -1.5 | 112.5 | D163 R206 C207 E227 A368 I369 F376 | D163-R372 VanDerWaalsContact CA-NH1 3.31Å; D163-R372 PolarHBondContact O-NH1 3.12Å; R206-R372 PolarHBondContact O-NH2 3.01Å; C207-R372 VanDerWaalsContact SG-CZ 3.56Å; E227-R372 HydrophobicContact CG-CG 4.33Å; E227-R372 IonicContact OE1-CZ 3.99Å; E227-R372 IonicContact OE1-NE 3.17Å; E227-R372 PolarHBondContact OE1-NE 2.79Å; E227-R372 IonicContact OE1-NH2 3.18Å; E227-R372 PolarHBondContact OE1-NH2 3.22Å; A368-R372 VanDerWaalsContact O-CG 3.3Å; A368-R372 WeakPolarHBondContact O-CG 3.32Å; A368-R372 PolarHBondContact O-N 3.15Å; I369-R372 PolarHBondContact O-N 3.45Å; R372-F376 HydrophobicContact CB-CB 3.78Å; R372-F376 HydrophobicContact CB-CD1 4.22Å; R372-F376 HydrophobicContact CB-CD2 4.01Å; R372-F376 HydrophobicContact CB-CG 3.75Å; R372-F376 HydrophobicContact CG-CD2 4.28Å; R372-F376 HydrophobicContact CG-CG 4.35Å |
| 373 | G | 88 | Confident | 91 | Very high | 25 Ų | 25 | 59.2 Ų | 59.2 | 26% | 0.258 | 27% | 0.269 | S | S | . | . | trans | 100.9 | 169 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | I369 E370 L371 T375 F376 Q377 | I369-G373 PolarHBondContact O-N 3.45Å; E370-G373 WeakPolarHBondContact O-CA 3.16Å; E370-G373 PolarHBondContact O-N 2.82Å; E370-G373 VanDerWaalsContact O-N 3.1Å; L371-G373 PolarHBondContact O-N 3.01Å; G373-T375 VanDerWaalsContact C-N 3.28Å; G373-T375 PolarHBondContact O-N 2.93Å; G373-F376 WeakPolarHBondContact O-CB 3.48Å; G373-F376 PolarHBondContact O-N 2.88Å; G373-F376 VanDerWaalsContact O-N 3.13Å; G373-Q377 PolarHBondContact O-N 3.06Å | ||
| 374 | K | 86.9 | Confident | 90.8 | Very high | 157 Ų | 157 | 57.2 Ų | 57.2 | 68% | 0.683 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -60.1 | -34.4 | -171.7 | -65 | -179.3 | 179.6 | 177.5 | 0 | 113.4 | Q377 R378 | K374-Q377 PolarHBondContact O-N 3.35Å; K374-R378 WeakPolarHBondContact O-CB 3.37Å; K374-R378 VanDerWaalsContact O-CG 3.28Å; K374-R378 WeakPolarHBondContact O-CG 3.47Å; K374-R378 PolarHBondContact O-N 3.37Å |
| 375 | T | 86.6 | Confident | 90.4 | Very high | 27 Ų | 27 | 54.6 Ų | 54.6 | 17% | 0.166 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.2 | -44.7 | 178.8 | -56.2 | 0 | 0 | 0 | 0 | 110.6 | D168 G373 R378 N379 | D168-T375 PolarHBondContact OD1-OG1 2.9Å; G373-T375 VanDerWaalsContact C-N 3.28Å; G373-T375 PolarHBondContact O-N 2.93Å; T375-R378 PolarHBondContact O-N 2.82Å; T375-N379 VanDerWaalsContact O-CG 3.28Å; T375-N379 PolarHBondContact O-N 3.44Å; T375-N379 VanDerWaalsContact O-N 3.09Å; T375-N379 PolarHBondContact O-ND2 2.96Å; T375-N379 VanDerWaalsContact O-ND2 3.09Å |
| 376 | F | 90.1 | Very high | 90.1 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.6 | -49.1 | 176.6 | -166.8 | -78.5 | 0 | 0 | 0 | 111.1 | Y209 L212 E227 I369 R372 G373 R378 N379 F380 | Y209-F376 AromaticContact CD2-CD2 3.84Å; Y209-F376 HydrophobicContact CD2-CD2 3.84Å; Y209-F376 HydrophobicContact CD2-CE2 4.18Å; L212-F376 HydrophobicContact CD2-CD1 4.35Å; L212-F376 HydrophobicContact CD2-CE1 3.99Å; L212-F376 HydrophobicContact CD2-CE2 4.34Å; L212-F376 HydrophobicContact CD2-CZ 3.97Å; E227-F376 HydrophobicContact CB-CE1 4.03Å; E227-F376 HydrophobicContact CB-CZ 4.11Å; E227-F376 HydrophobicContact CG-CE1 4.2Å; E227-F376 HydrophobicContact CG-CZ 3.94Å; I369-F376 HydrophobicContact CG2-CD1 4.46Å; R372-F376 HydrophobicContact CB-CB 3.78Å; R372-F376 HydrophobicContact CB-CD1 4.22Å; R372-F376 HydrophobicContact CB-CD2 4.01Å; R372-F376 HydrophobicContact CB-CG 3.75Å; R372-F376 HydrophobicContact CG-CD2 4.28Å; R372-F376 HydrophobicContact CG-CG 4.35Å; G373-F376 WeakPolarHBondContact O-CB 3.48Å; G373-F376 PolarHBondContact O-N 2.88Å; G373-F376 VanDerWaalsContact O-N 3.13Å; F376-R378 VanDerWaalsContact C-N 3.35Å; F376-R378 PolarHBondContact O-N 2.94Å; F376-N379 PolarHBondContact O-N 2.92Å; F376-F380 WeakPolarHBondContact O-CB 3.35Å; F376-F380 PolarHBondContact O-N 2.57Å |
| 377 | Q | 91 | Very high | 89.8 | Confident | 76 Ų | 76 | 46.3 Ų | 46.3 | 36% | 0.355 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.1 | -44.1 | 178.8 | -174.5 | -176 | -6.3 | 0 | 0 | 112.5 | I369 G373 K374 N379 F380 E381 | I369-Q377 HydrophobicContact CG2-CB 4.04Å; I369-Q377 HydrophobicContact CG2-CG 4.19Å; G373-Q377 PolarHBondContact O-N 3.06Å; K374-Q377 PolarHBondContact O-N 3.35Å; Q377-N379 PolarHBondContact O-N 3.09Å; Q377-F380 WeakPolarHBondContact O-CB 3.36Å; Q377-F380 PolarHBondContact O-N 2.87Å; Q377-E381 WeakPolarHBondContact CG-OE1 3.44Å; Q377-E381 PolarHBondContact NE2-OE1 3.38Å; Q377-E381 WeakPolarHBondContact O-CG 3.29Å; Q377-E381 PolarHBondContact O-N 3.46Å |
| 378 | R | 90.1 | Very high | 89.3 | Confident | 140 Ų | 140 | 45.1 Ų | 45.1 | 53% | 0.528 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.7 | -39.9 | 177.5 | -74.7 | 169.9 | 174.4 | 178.1 | -5 | 112.6 | K374 T375 F376 F380 E381 A382 | K374-R378 WeakPolarHBondContact O-CB 3.37Å; K374-R378 VanDerWaalsContact O-CG 3.28Å; K374-R378 WeakPolarHBondContact O-CG 3.47Å; K374-R378 PolarHBondContact O-N 3.37Å; T375-R378 PolarHBondContact O-N 2.82Å; F376-R378 VanDerWaalsContact C-N 3.35Å; F376-R378 PolarHBondContact O-N 2.94Å; R378-F380 VanDerWaalsContact C-N 3.29Å; R378-E381 PolarHBondContact O-N 3.19Å; R378-A382 VanDerWaalsContact O-CB 3.29Å; R378-A382 WeakPolarHBondContact O-CB 3.44Å; R378-A382 PolarHBondContact O-N 2.84Å |
| 379 | N | 92.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.7 | -40.4 | 176.1 | -68.1 | -32.9 | 0 | 0 | 0 | 110.7 | L212 I213 I216 T375 F376 Q377 A382 Y383 | L212-N379 HydrophobicContact CD2-CB 3.98Å; L212-N379 HydrophobicContact CG-CB 4.35Å; I213-N379 HydrophobicContact CD1-CB 3.98Å; I213-N379 VanDerWaalsContact CD1-ND2 3.3Å; I213-N379 WeakPolarHBondContact CD1-ND2 3.46Å; I216-N379 HydrophobicContact CD1-CB 3.86Å; I216-N379 VanDerWaalsContact CD1-O 3.31Å; I216-N379 WeakPolarHBondContact CD1-O 3.12Å; T375-N379 VanDerWaalsContact O-CG 3.28Å; T375-N379 PolarHBondContact O-N 3.44Å; T375-N379 VanDerWaalsContact O-N 3.09Å; T375-N379 PolarHBondContact O-ND2 2.96Å; T375-N379 VanDerWaalsContact O-ND2 3.09Å; F376-N379 PolarHBondContact O-N 2.92Å; Q377-N379 PolarHBondContact O-N 3.09Å; N379-A382 PolarHBondContact O-N 2.92Å; N379-Y383 PolarHBondContact O-N 2.81Å |
| 380 | F | 91.2 | Very high | 87.9 | Confident | 27 Ų | 27 | 48.3 Ų | 48.3 | 12% | 0.118 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60 | -49.6 | 175.6 | 176.6 | -93.7 | 0 | 0 | 0 | 112.1 | L212 W228 F376 Q377 R378 A382 Y383 N384 | L212-F380 HydrophobicContact CD2-CB 4.15Å; W228-F380 HydrophobicContact CB-CD2 4.22Å; W228-F380 HydrophobicContact CB-CE2 3.46Å; W228-F380 VanDerWaalsContact CB-CE2 3.46Å; W228-F380 HydrophobicContact CB-CZ 4.05Å; W228-F380 AromaticContact CD1-CE2 3.98Å; W228-F380 AromaticContact CD1-CZ 3.64Å; W228-F380 AromaticContact CD2-CE2 3.18Å; W228-F380 HydrophobicContact CD2-CE2 3.18Å; W228-F380 AromaticContact CD2-CZ 3.22Å; W228-F380 HydrophobicContact CD2-CZ 3.22Å; W228-F380 AromaticContact CE2-CE2 3.84Å; W228-F380 AromaticContact CE2-CZ 3.33Å; W228-F380 HydrophobicContact CE3-CD2 4.49Å; W228-F380 AromaticContact CE3-CE2 3.28Å; W228-F380 HydrophobicContact CE3-CE2 3.28Å; W228-F380 AromaticContact CE3-CZ 3.65Å; W228-F380 HydrophobicContact CE3-CZ 3.65Å; W228-F380 HydrophobicContact CG-CD2 4.41Å; W228-F380 AromaticContact CG-CE2 3.27Å; W228-F380 HydrophobicContact CG-CE2 3.27Å; W228-F380 AromaticContact CG-CZ 3.4Å; W228-F380 HydrophobicContact CG-CZ 3.4Å; W228-F380 HydrophobicContact CH2-CE2 4.41Å; W228-F380 HydrophobicContact CH2-CZ 4.06Å; W228-F380 HydrophobicContact CZ2-CE2 4.41Å; W228-F380 AromaticContact CZ2-CZ 3.77Å; W228-F380 HydrophobicContact CZ2-CZ 3.77Å; W228-F380 AromaticContact CZ3-CE2 3.9Å; W228-F380 HydrophobicContact CZ3-CE2 3.9Å; W228-F380 HydrophobicContact CZ3-CZ 4.03Å; W228-F380 AromaticContact NE1-CZ 3.63Å; F376-F380 WeakPolarHBondContact O-CB 3.35Å; F376-F380 PolarHBondContact O-N 2.57Å; Q377-F380 WeakPolarHBondContact O-CB 3.36Å; Q377-F380 PolarHBondContact O-N 2.87Å; R378-F380 VanDerWaalsContact C-N 3.29Å; F380-A382 VanDerWaalsContact C-N 3.34Å; F380-A382 PolarHBondContact O-N 3.43Å; F380-Y383 PolarHBondContact O-N 2.76Å; F380-N384 WeakPolarHBondContact O-CB 3.27Å; F380-N384 PolarHBondContact O-N 3.13Å |
| 381 | E | 90.1 | Very high | 87.1 | Confident | 99 Ų | 99 | 46.4 Ų | 46.4 | 46% | 0.463 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 175.8 | -71.2 | 166.3 | -174.1 | 0 | 0 | 111.8 | Q377 R378 N384 L385 | Q377-E381 WeakPolarHBondContact CG-OE1 3.44Å; Q377-E381 PolarHBondContact NE2-OE1 3.38Å; Q377-E381 WeakPolarHBondContact O-CG 3.29Å; Q377-E381 PolarHBondContact O-N 3.46Å; R378-E381 PolarHBondContact O-N 3.19Å; E381-N384 PolarHBondContact O-N 2.81Å; E381-L385 WeakPolarHBondContact O-CB 3.3Å; E381-L385 PolarHBondContact O-N 3.45Å |
| 382 | A | 89.7 | Confident | 86.2 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | R378 N379 F380 L385 L386 I684 | R378-A382 VanDerWaalsContact O-CB 3.29Å; R378-A382 WeakPolarHBondContact O-CB 3.44Å; R378-A382 PolarHBondContact O-N 2.84Å; N379-A382 PolarHBondContact O-N 2.92Å; F380-A382 VanDerWaalsContact C-N 3.34Å; F380-A382 PolarHBondContact O-N 3.43Å; A382-L385 PolarHBondContact O-N 3.46Å; A382-L386 VanDerWaalsContact O-CB 3.3Å; A382-L386 WeakPolarHBondContact O-CB 3.3Å; A382-L386 VanDerWaalsContact O-CG 3.28Å; A382-L386 WeakPolarHBondContact O-CG 3.49Å; A382-L386 PolarHBondContact O-N 3.37Å; A382-I684 HydrophobicContact CB-CD1 3.48Å; A382-I684 VanDerWaalsContact CB-CD1 3.48Å |
| 383 | Y | 92 | Very high | 85.1 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 176.3 | 169.9 | -98.9 | 0 | 0 | 0 | 111.8 | L212 S215 I216 W222 V223 W228 N379 F380 L385 L386 S387 | L212-Y383 HydrophobicContact CD1-CD1 4.42Å; L212-Y383 HydrophobicContact CD1-CG 4.1Å; S215-Y383 WeakPolarHBondContact OG-CD2 3.44Å; S215-Y383 WeakPolarHBondContact OG-CE2 3.32Å; I216-Y383 HydrophobicContact CG1-CD2 4.41Å; W222-Y383 VanDerWaalsContact C-OH 3.28Å; W222-Y383 WeakPolarHBondContact CA-OH 3.25Å; V223-Y383 HydrophobicContact CB-CE1 4.3Å; V223-Y383 HydrophobicContact CB-CE2 4.33Å; V223-Y383 HydrophobicContact CG1-CD1 3.85Å; V223-Y383 HydrophobicContact CG1-CE1 3.29Å; V223-Y383 HydrophobicContact CG1-CE2 4.07Å; V223-Y383 HydrophobicContact CG1-CG 4.45Å; V223-Y383 VanDerWaalsContact CG1-CZ 3.42Å; V223-Y383 PolarHBondContact N-OH 3.2Å; W228-Y383 HydrophobicContact CZ3-CE1 4.43Å; N379-Y383 PolarHBondContact O-N 2.81Å; F380-Y383 PolarHBondContact O-N 2.76Å; Y383-L385 PolarHBondContact O-N 3.35Å; Y383-L386 PolarHBondContact O-N 2.78Å; Y383-S387 WeakPolarHBondContact O-CB 3.21Å; Y383-S387 PolarHBondContact O-N 2.84Å; Y383-S387 PolarHBondContact O-OG 2.81Å |
| 384 | N | 88.2 | Confident | 84.1 | Confident | 65 Ų | 65 | 54.3 Ų | 54.3 | 35% | 0.348 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.6 | -34.9 | -178.5 | -175.6 | 40.9 | 0 | 0 | 0 | 112.1 | F380 E381 K388 | F380-N384 WeakPolarHBondContact O-CB 3.27Å; F380-N384 PolarHBondContact O-N 3.13Å; E381-N384 PolarHBondContact O-N 2.81Å; N384-K388 WeakPolarHBondContact O-CG 3.13Å |
| 385 | L | 85.8 | Confident | 82.7 | Confident | 23 Ų | 23 | 55.9 Ų | 55.9 | 12% | 0.12 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -75.1 | -53 | 176 | -170.4 | 155.3 | 0 | 0 | 0 | 111.7 | E381 A382 Y383 S387 K388 M428 Y431 | E381-L385 WeakPolarHBondContact O-CB 3.3Å; E381-L385 PolarHBondContact O-N 3.45Å; A382-L385 PolarHBondContact O-N 3.46Å; Y383-L385 PolarHBondContact O-N 3.35Å; L385-S387 VanDerWaalsContact C-N 3.3Å; L385-S387 PolarHBondContact O-N 3.3Å; L385-K388 PolarHBondContact O-N 3.48Å; L385-M428 HydrophobicContact CD1-CE 4.01Å; L385-M428 HydrophobicContact CD1-SD 3.86Å; L385-M428 HydrophobicContact CD2-CE 4.48Å; L385-M428 HydrophobicContact CD2-SD 3.33Å; L385-M428 WeakPolarHBondContact CD2-SD 3.45Å; L385-M428 HydrophobicContact CG-SD 4.25Å; L385-Y431 HydrophobicContact CD1-CD1 4.2Å; L385-Y431 HydrophobicContact CD1-CD2 3.78Å; L385-Y431 HydrophobicContact CD1-CE1 4.02Å; L385-Y431 HydrophobicContact CD1-CE2 3.52Å; L385-Y431 HydrophobicContact CD1-CG 4.15Å; L385-Y431 HydrophobicContact CD2-CD2 3.86Å; L385-Y431 HydrophobicContact CD2-CE2 4.36Å; L385-Y431 HydrophobicContact CD2-CG 4.24Å; L385-Y431 HydrophobicContact CG-CD2 3.64Å; L385-Y431 HydrophobicContact CG-CE2 3.62Å; L385-Y431 HydrophobicContact CG-CG 4.33Å |
| 386 | L | 86.1 | Confident | 81.9 | Confident | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.5 | -23.1 | -171.4 | -68.2 | 174.1 | 0 | 0 | 0 | 113.3 | A382 Y383 K388 R427 T680 I684 | A382-L386 VanDerWaalsContact O-CB 3.3Å; A382-L386 WeakPolarHBondContact O-CB 3.3Å; A382-L386 VanDerWaalsContact O-CG 3.28Å; A382-L386 WeakPolarHBondContact O-CG 3.49Å; A382-L386 PolarHBondContact O-N 3.37Å; Y383-L386 PolarHBondContact O-N 2.78Å; L386-K388 VanDerWaalsContact C-N 3.27Å; L386-K388 PolarHBondContact O-N 2.93Å; L386-R427 HydrophobicContact CD2-CB 4.11Å; L386-R427 PolarHBondContact O-NH1 3.27Å; L386-T680 HydrophobicContact CD1-CG2 3.41Å; L386-T680 VanDerWaalsContact CD1-CG2 3.41Å; L386-I684 HydrophobicContact CD1-CD1 4.08Å |
| 387 | S | 85.5 | Confident | 81.6 | Confident | 18 Ų | 18 | 63.9 Ų | 63.9 | 13% | 0.126 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 0.3 | 178.4 | 71 | 0 | 0 | 0 | 0 | 113.8 | K241 Y383 L385 | K241-S387 WeakPolarHBondContact CE-O 3.27Å; K241-S387 PolarHBondContact NZ-O 3.48Å; K241-S387 PolarHBondContact NZ-OG 2.97Å; Y383-S387 WeakPolarHBondContact O-CB 3.21Å; Y383-S387 PolarHBondContact O-N 2.84Å; Y383-S387 PolarHBondContact O-OG 2.81Å; L385-S387 VanDerWaalsContact C-N 3.3Å; L385-S387 PolarHBondContact O-N 3.3Å |
| 388 | K | 83.5 | Confident | 81.4 | Confident | 76 Ų | 76 | 63.1 Ų | 63.1 | 33% | 0.33 | 31% | 0.312 | S | S | . | . | trans | -70.9 | 143.4 | 176.2 | -66.6 | -177.3 | 179.3 | -176.9 | 0 | 111.4 | N384 L385 L386 P392 W456 | N384-K388 WeakPolarHBondContact O-CG 3.13Å; L385-K388 PolarHBondContact O-N 3.48Å; L386-K388 VanDerWaalsContact C-N 3.27Å; L386-K388 PolarHBondContact O-N 2.93Å; K388-P392 HydrophobicContact CD-CB 4.48Å; K388-P392 HydrophobicContact CD-CG 4.23Å; K388-W456 HydrophobicContact CB-CZ2 4.37Å; K388-W456 VanDerWaalsContact O-CZ2 3.3Å; K388-W456 WeakPolarHBondContact O-CZ2 3.42Å; K388-W456 PolarHBondContact O-NE1 3.46Å | ||
| 389 | M | 77.4 | Confident | 81.1 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 9% | 0.094 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -74.3 | -30.2 | 177.4 | -70.7 | -53.1 | -53 | 0 | 0 | 112.9 | K241 E244 S245 Y248 W456 | K241-M389 HydrophobicContact CG-CG 4.34Å; E244-M389 HydrophobicContact CB-CG 4.39Å; S245-M389 VanDerWaalsContact CA-CE 3.46Å; Y248-M389 HydrophobicContact CD2-CE 4.35Å; M389-W456 PolarHBondContact O-NE1 3.29Å |
| 390 | H | 78.9 | Confident | 80.8 | Confident | 69 Ų | 69 | 58.3 Ų | 58.3 | 32% | 0.319 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -127.2 | 150.4 | -179.5 | -62.1 | -33.7 | 0 | 0 | 0 | 110.8 | Y248 P392 | Y248-H390 AromaticContact CD2-CE1 3.67Å; Y248-H390 AromaticContact CE1-CE1 3.74Å; Y248-H390 AromaticContact CE2-CE1 2.99Å; Y248-H390 WeakPolarHBondContact CE2-CE1 3.49Å; Y248-H390 AromaticContact CE2-NE2 3.16Å; Y248-H390 WeakPolarHBondContact CE2-NE2 3.47Å; Y248-H390 AromaticContact CZ-CE1 3Å; Y248-H390 AromaticContact CZ-NE2 3.4Å; Y248-H390 PolarHBondContact OH-CE1 3.03Å; Y248-H390 PolarHBondContact OH-NE2 3.49Å; Y248-H390 VanDerWaalsContact OH-NE2 3.14Å; H390-P392 WeakPolarHBondContact O-CD 3.34Å; H390-P392 VanDerWaalsContact O-N 3.17Å |
| 391 | P | 76.4 | Confident | 80.5 | Confident | 49 Ų | 49 | 59.8 Ų | 59.8 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | trans | -55.9 | 124.3 | 163.8 | 24.9 | -31.2 | 0 | 0 | 0 | 107.2 | V393 L430 W456 | P391-V393 PolarHBondContact O-N 2.9Å; P391-L430 HydrophobicContact CB-CB 4.46Å; P391-W456 HydrophobicContact CB-CE3 3.81Å; P391-W456 HydrophobicContact CB-CZ3 3.8Å; P391-W456 HydrophobicContact CG-CE3 4.17Å | ||
| 392 | P | 71.4 | Confident | 80.4 | Confident | 31 Ų | 31 | 58 Ų | 58 | 20% | 0.201 | 32% | 0.323 | C | S | . | . | trans | -63.3 | 141.2 | 179.6 | 20.4 | -24.7 | 0 | 0 | 0 | 109.7 | K388 H390 D394 Y431 | K388-P392 HydrophobicContact CD-CB 4.48Å; K388-P392 HydrophobicContact CD-CG 4.23Å; H390-P392 WeakPolarHBondContact O-CD 3.34Å; H390-P392 VanDerWaalsContact O-N 3.17Å; P392-D394 PolarHBondContact O-N 2.81Å; P392-Y431 HydrophobicContact CB-CE2 4.4Å; P392-Y431 HydrophobicContact CG-CD2 3.14Å; P392-Y431 HydrophobicContact CG-CE2 3.05Å; P392-Y431 HydrophobicContact CG-CG 4.14Å | ||
| 393 | V | 66.7 | Low | 80.3 | Confident | 144 Ų | 144 | 66 Ų | 66 | 87% | 0.873 | 36% | 0.356 | S | S | * | . | trans | -80.8 | 29.7 | -177.8 | -157.9 | 0 | 0 | 0 | 0 | 111.2 | P391 K395 | P391-V393 PolarHBondContact O-N 2.9Å; V393-K395 PolarHBondContact O-N 2.9Å | ||
| 394 | D | 65.7 | Low | 80.5 | Confident | 86 Ų | 86 | 65.6 Ų | 65.6 | 46% | 0.46 | 35% | 0.354 | S | S | . | . | trans | -69.2 | 121.9 | -173.1 | -155.4 | -23 | 0 | 0 | 0 | 109.9 | P392 Q396 N397 | P392-D394 PolarHBondContact O-N 2.81Å; D394-Q396 PolarHBondContact O-N 3.41Å; D394-Q396 PolarHBondContact OD1-N 2.97Å; D394-Q396 VanDerWaalsContact OD1-N 3.1Å; D394-N397 PolarHBondContact O-ND2 3.3Å | ||
| 395 | K | 57.7 | Low | 81 | Confident | 190 Ų | 190 | 63.8 Ų | 63.8 | 83% | 0.826 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -72.9 | -19.5 | 178.5 | -68.1 | -173.8 | 179.7 | -178.3 | 0 | 111.4 | V393 N397 | V393-K395 PolarHBondContact O-N 2.9Å; K395-N397 VanDerWaalsContact C-N 3.35Å; K395-N397 PolarHBondContact O-N 3.23Å |
| 396 | Q | 70.1 | Confident | 81.5 | Confident | 180 Ų | 180 | 62.7 Ų | 62.7 | 84% | 0.841 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -98.2 | 47.9 | 177.1 | -66.3 | -173.6 | -1.2 | 0 | 0 | 111.9 | D394 | D394-Q396 PolarHBondContact O-N 3.41Å; D394-Q396 PolarHBondContact OD1-N 2.97Å; D394-Q396 VanDerWaalsContact OD1-N 3.1Å |
| 397 | N | 83.4 | Confident | 82.1 | Confident | 23 Ų | 23 | 62.3 Ų | 62.3 | 12% | 0.123 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -83.7 | 167.3 | 172.6 | 62.8 | 29.5 | 0 | 0 | 0 | 111.6 | D394 K395 S399 G400 | D394-N397 PolarHBondContact O-ND2 3.3Å; K395-N397 VanDerWaalsContact C-N 3.35Å; K395-N397 PolarHBondContact O-N 3.23Å; N397-S399 PolarHBondContact O-N 3.03Å; N397-S399 PolarHBondContact OD1-N 3.44Å; N397-S399 PolarHBondContact OD1-OG 3.08Å; N397-G400 PolarHBondContact O-N 3.45Å; N397-G400 PolarHBondContact OD1-N 3.04Å |
| 398 | L | 87.2 | Confident | 82.8 | Confident | 60 Ų | 60 | 61.4 Ų | 61.4 | 31% | 0.314 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -29.4 | -178 | -69.3 | 178 | 0 | 0 | 0 | 113.5 | G400 H432 Q688 V691 R695 | L398-G400 PolarHBondContact O-N 2.92Å; L398-H432 VanDerWaalsContact CD1-CE1 3.49Å; L398-H432 WeakPolarHBondContact CD1-CE1 3.18Å; L398-H432 PolarHBondContact N-ND1 3.47Å; L398-Q688 HydrophobicContact CD1-CB 3.74Å; L398-Q688 HydrophobicContact CD1-CG 3.79Å; L398-V691 HydrophobicContact CB-CG1 3.85Å; L398-R695 WeakPolarHBondContact O-CD 3.27Å; L398-R695 PolarHBondContact O-NH1 3.29Å |
| 399 | S | 84.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -13.7 | 177.5 | 66.6 | 0 | 0 | 0 | 0 | 113.2 | N397 G401 L402 H432 | N397-S399 PolarHBondContact O-N 3.03Å; N397-S399 PolarHBondContact OD1-N 3.44Å; N397-S399 PolarHBondContact OD1-OG 3.08Å; S399-G401 PolarHBondContact O-N 3.07Å; S399-L402 WeakPolarHBondContact CB-O 3.36Å; S399-L402 WeakPolarHBondContact O-CB 3.15Å; S399-L402 PolarHBondContact O-N 2.98Å; S399-L402 PolarHBondContact OG-O 3.21Å; S399-H432 VanDerWaalsContact CB-O 3.24Å; S399-H432 WeakPolarHBondContact CB-O 3.32Å; S399-H432 PolarHBondContact OG-O 2.94Å |
| 400 | G | 85.5 | Confident | 84.5 | Confident | 40 Ų | 40 | 56.9 Ų | 56.9 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 22.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N397 L398 | N397-G400 PolarHBondContact O-N 3.45Å; N397-G400 PolarHBondContact OD1-N 3.04Å; L398-G400 PolarHBondContact O-N 2.92Å |
| 401 | G | 83.7 | Confident | 85.4 | Confident | 58 Ų | 58 | 53.6 Ų | 53.6 | 60% | 0.598 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90 | -6.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S399 | S399-G401 PolarHBondContact O-N 3.07Š|
| 402 | L | 88 | Confident | 86.4 | Confident | 61 Ų | 61 | 51.3 Ų | 51.3 | 32% | 0.319 | 28% | 0.281 | S | S | . | . | trans | -71.1 | 145.3 | 172 | -65.2 | 172.1 | 0 | 0 | 0 | 110.8 | S399 F404 R695 A698 | S399-L402 WeakPolarHBondContact CB-O 3.36Å; S399-L402 WeakPolarHBondContact O-CB 3.15Å; S399-L402 PolarHBondContact O-N 2.98Å; S399-L402 PolarHBondContact OG-O 3.21Å; L402-F404 HydrophobicContact CB-CE1 4.05Å; L402-F404 HydrophobicContact CB-CE2 3.91Å; L402-F404 HydrophobicContact CB-CZ 3.57Å; L402-F404 HydrophobicContact CD1-CE1 4.28Å; L402-F404 HydrophobicContact CD1-CZ 3.67Å; L402-F404 HydrophobicContact CG-CZ 4.28Å; L402-R695 HydrophobicContact CD1-CG 4.45Å; L402-A698 HydrophobicContact CD1-CB 3.91Å | ||
| 403 | K | 89.5 | Confident | 87.5 | Confident | 176 Ų | 176 | 51.9 Ų | 51.9 | 77% | 0.765 | 29% | 0.285 | S | S | * | . | trans | -105.4 | 94.1 | -178.4 | -67.9 | -174.3 | -179.3 | 179.2 | 0 | 110.5 | ||||
| 404 | F | 95.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -87.4 | 146.6 | 175.5 | -55.3 | -58.6 | 0 | 0 | 0 | 112 | L402 L406 C434 K435 N494 A694 R695 A698 V704 | L402-F404 HydrophobicContact CB-CE1 4.05Å; L402-F404 HydrophobicContact CB-CE2 3.91Å; L402-F404 HydrophobicContact CB-CZ 3.57Å; L402-F404 HydrophobicContact CD1-CE1 4.28Å; L402-F404 HydrophobicContact CD1-CZ 3.67Å; L402-F404 HydrophobicContact CG-CZ 4.28Å; F404-L406 HydrophobicContact CB-CD2 4.14Å; F404-C434 HydrophobicContact CB-CB 4.44Å; F404-C434 CarbonylContact O-C 3.56Å; F404-C434 VanDerWaalsContact O-CA 3.31Å; F404-C434 WeakPolarHBondContact O-CA 3.37Å; F404-C434 VanDerWaalsContact O-CB 3.29Å; F404-C434 WeakPolarHBondContact O-CB 3.3Å; F404-K435 PolarHBondContact O-N 3.49Å; F404-N494 WeakPolarHBondContact CA-OD1 3.38Å; F404-N494 HydrophobicContact CB-CB 4.1Å; F404-N494 HydrophobicContact CD1-CB 4.18Å; F404-A694 HydrophobicContact CD1-CB 4.21Å; F404-A694 HydrophobicContact CD2-CB 4.11Å; F404-A694 HydrophobicContact CE1-CB 4.24Å; F404-A694 HydrophobicContact CE2-CB 4.14Å; F404-A694 HydrophobicContact CG-CB 4.15Å; F404-A694 HydrophobicContact CZ-CB 4.21Å; F404-R695 HydrophobicContact CE2-CB 4.09Å; F404-R695 HydrophobicContact CZ-CB 4.1Å; F404-A698 HydrophobicContact CE1-CB 4.07Å; F404-A698 HydrophobicContact CZ-CB 4.19Å; F404-V704 HydrophobicContact CD1-CG2 3.79Å; F404-V704 HydrophobicContact CE1-CG2 3.66Å | ||
| 405 | N | 97.7 | Very high | 90.3 | Very high | 27 Ų | 27 | 43.1 Ų | 43.1 | 14% | 0.144 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 106.5 | 166.6 | -68.8 | -5.8 | 0 | 0 | 0 | 109.1 | K435 Y437 Y491 K492 I493 N494 | N405-K435 CarbonylContact C-O 3.6Å; N405-K435 WeakPolarHBondContact CA-O 3.26Å; N405-Y437 HydrophobicContact CB-CD2 4.29Å; N405-Y437 HydrophobicContact CB-CE2 4.02Å; N405-Y491 PolarHBondContact ND2-O 3.06Å; N405-K492 WeakPolarHBondContact CB-O 3.38Å; N405-I493 HydrophobicContact CB-CD1 4.36Å; N405-I493 CarbonylContact O-C 3.5Å; N405-N494 PolarHBondContact N-OD1 3.41Å; N405-N494 PolarHBondContact O-N 3.21Å |
| 406 | L | 98.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 147.4 | 174.4 | -48 | 179.7 | 0 | 0 | 0 | 109.4 | F404 F425 C434 K435 V436 Y437 A495 V691 | F404-L406 HydrophobicContact CB-CD2 4.14Å; L406-F425 HydrophobicContact CB-CE1 4.08Å; L406-F425 HydrophobicContact CB-CZ 4.04Å; L406-F425 HydrophobicContact CD1-CZ 4.17Å; L406-C434 HydrophobicContact CD1-CB 3.84Å; L406-C434 HydrophobicContact CG-CB 3.9Å; L406-K435 PolarHBondContact N-O 2.96Å; L406-V436 HydrophobicContact CB-CG2 4.44Å; L406-V436 HydrophobicContact CD1-CG2 4.49Å; L406-V436 CarbonylContact O-C 3.59Å; L406-V436 WeakPolarHBondContact O-CA 3.34Å; L406-Y437 PolarHBondContact O-N 2.74Å; L406-A495 WeakPolarHBondContact CA-O 3.28Å; L406-A495 HydrophobicContact CD2-CB 3.78Å; L406-V691 HydrophobicContact CD1-CG2 3.94Å |
| 407 | A | 98.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 148.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y437 I439 I493 A495 L496 L497 | A407-Y437 CarbonylContact C-O 3.6Å; A407-Y437 VanDerWaalsContact CA-O 3.27Å; A407-Y437 WeakPolarHBondContact CA-O 3.26Å; A407-I439 HydrophobicContact CB-CD1 3.89Å; A407-I439 HydrophobicContact CB-CG1 4.48Å; A407-I493 HydrophobicContact CB-CD1 3.93Å; A407-I493 HydrophobicContact CB-CG1 4.14Å; A407-I493 HydrophobicContact CB-CG2 3.67Å; A407-A495 PolarHBondContact N-O 3.05Å; A407-L496 HydrophobicContact CB-CD1 3.77Å; A407-L497 PolarHBondContact O-N 2.96Å |
| 408 | V | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 139.4 | 172.6 | 61 | 0 | 0 | 0 | 0 | 110.9 | V422 F425 V426 V436 Y437 I439 L470 L497 V499 | V408-V422 HydrophobicContact CG1-CG1 4.13Å; V408-V422 HydrophobicContact CG2-CG2 4.02Å; V408-F425 HydrophobicContact CB-CD1 3.69Å; V408-F425 HydrophobicContact CB-CE1 3.9Å; V408-F425 HydrophobicContact CG1-CD1 4.07Å; V408-F425 HydrophobicContact CG1-CE1 4.5Å; V408-F425 HydrophobicContact CG2-CD1 4.19Å; V408-V426 HydrophobicContact CG1-CG2 4.44Å; V408-V436 HydrophobicContact CG1-CG1 4.42Å; V408-Y437 PolarHBondContact N-O 3.18Å; V408-I439 PolarHBondContact O-N 3.46Å; V408-L470 HydrophobicContact CG1-CD1 4.48Å; V408-L497 WeakPolarHBondContact CA-O 3.49Å; V408-L497 HydrophobicContact CB-CB 4.27Å; V408-L497 HydrophobicContact CG2-CB 4.11Å; V408-L497 HydrophobicContact CG2-CD2 3.84Å; V408-L497 HydrophobicContact CG2-CG 3.98Å; V408-V499 HydrophobicContact CG2-CG2 4.25Å |
| 409 | M | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 152.3 | 174.3 | 81.7 | 174.7 | 96.1 | 0 | 0 | 111.8 | V411 I439 F443 L446 L496 L497 L498 V499 | M409-V411 HydrophobicContact CG-CG2 3.69Å; M409-V411 HydrophobicContact SD-CG2 3.85Å; M409-I439 HydrophobicContact CB-CB 3.73Å; M409-I439 HydrophobicContact CB-CD1 4.17Å; M409-I439 HydrophobicContact CB-CG1 4.47Å; M409-I439 HydrophobicContact CB-CG2 4.12Å; M409-I439 HydrophobicContact CE-CD1 3.63Å; M409-I439 HydrophobicContact SD-CD1 4.49Å; M409-I439 HydrophobicContact SD-CG2 4.45Å; M409-F443 HydrophobicContact CE-CD1 4.43Å; M409-F443 HydrophobicContact CE-CE1 3.85Å; M409-F443 HydrophobicContact CE-CZ 3.9Å; M409-F443 HydrophobicContact SD-CD1 4.45Å; M409-F443 HydrophobicContact SD-CD2 4.2Å; M409-F443 HydrophobicContact SD-CE1 4.2Å; M409-F443 HydrophobicContact SD-CE2 3.95Å; M409-F443 HydrophobicContact SD-CG 4.45Å; M409-F443 HydrophobicContact SD-CZ 3.95Å; M409-L446 HydrophobicContact CE-CD2 4.02Å; M409-L496 HydrophobicContact CE-CD1 3.7Å; M409-L496 HydrophobicContact CE-CD2 3.94Å; M409-L496 HydrophobicContact CE-CG 4.34Å; M409-L497 PolarHBondContact N-O 3.41Å; M409-L498 HydrophobicContact CE-CD2 3.87Å; M409-L498 HydrophobicContact CG-CD2 3.74Å; M409-L498 HydrophobicContact SD-CD2 3.87Å; M409-V499 PolarHBondContact O-N 2.76Å |
| 410 | N | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 137.2 | 171.6 | -64.1 | -17.7 | 0 | 0 | 0 | 109.5 | M418 V422 S442 S468 V499 | N410-M418 HydrophobicContact CB-SD 4.09Å; N410-V422 WeakPolarHBondContact OD1-CG2 3.34Å; N410-S442 WeakPolarHBondContact O-CB 3.32Å; N410-S442 PolarHBondContact O-OG 3.28Å; N410-S468 PolarHBondContact ND2-OG 3.22Å; N410-V499 CarbonylContact C-O 3.52Å; N410-V499 WeakPolarHBondContact CA-O 3.4Å; N410-V499 WeakPolarHBondContact OD1-CB 3.17Å |
| 411 | V | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 135.7 | -177.5 | -170.8 | 0 | 0 | 0 | 0 | 110.9 | M409 F443 L498 V499 G500 G501 E503 A504 | M409-V411 HydrophobicContact CG-CG2 3.69Å; M409-V411 HydrophobicContact SD-CG2 3.85Å; V411-F443 HydrophobicContact CG1-CD2 4.45Å; V411-F443 HydrophobicContact CG1-CE2 4.28Å; V411-F443 HydrophobicContact CG2-CD2 4.4Å; V411-F443 HydrophobicContact CG2-CE2 3.96Å; V411-L498 HydrophobicContact CG2-CD2 3.76Å; V411-V499 PolarHBondContact N-O 3.38Å; V411-G500 WeakPolarHBondContact O-CA 3.33Å; V411-G501 PolarHBondContact O-N 3.22Å; V411-E503 HydrophobicContact CG1-CB 3.93Å; V411-A504 HydrophobicContact CB-CB 3.92Å |
| 412 | G | 97 | Very high | 96.4 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | S | Bend | trans | 100.1 | -156.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S472 Q473 | G412-S472 CarbonylContact O-C 3.58Å; G412-S472 WeakPolarHBondContact O-CB 3.38Å; G412-S472 PolarHBondContact O-OG 3.24Å; G412-Q473 PolarHBondContact N-O 3.42Å |
| 413 | S | 95.8 | Very high | 96.8 | Very high | 43 Ų | 43 | 14.3 Ų | 14.3 | 30% | 0.301 | 7% | 0.074 | S | C | . | . | S | Bend | trans | -72.6 | 142.6 | 177.4 | -72.9 | 0 | 0 | 0 | 0 | 111.8 | M418 K474 | S413-M418 WeakPolarHBondContact O-CE 3.17Å; S413-K474 WeakPolarHBondContact OG-CE 3.4Å |
| 414 | P | 95.7 | Very high | 97.1 | Very high | 45 Ų | 45 | 5.9 Ų | 5.9 | 29% | 0.292 | 4% | 0.037 | S | C | . | . | trans | -60.6 | 142.2 | 176.1 | 25.9 | -33.5 | 0 | 0 | 0 | 110.9 | ||||
| 415 | S | 95.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 4% | 0.037 | C | C | . | . | trans | -146.3 | 148 | -176.8 | -168.7 | 0 | 0 | 0 | 0 | 110.1 | M418 I543 G544 | S415-M418 WeakPolarHBondContact O-CG 3.4Å; S415-M418 PolarHBondContact O-N 2.87Å; S415-I543 PolarHBondContact OG-O 3.31Å; S415-G544 WeakPolarHBondContact OG-CA 3.33Å | ||
| 416 | C | 95.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 4.6 Ų | 4.6 | 1% | 0.007 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 139.7 | 171.5 | -80.3 | 0 | 0 | 0 | 0 | 110.7 | I543 G544 T547 Q667 A671 | C416-I543 WeakPolarHBondContact O-CG2 3.18Å; C416-G544 VanDerWaalsContact O-CA 3.27Å; C416-G544 WeakPolarHBondContact O-CA 3.11Å; C416-G544 PolarHBondContact O-N 3.25Å; C416-T547 HydrophobicContact CB-CG2 3.95Å; C416-Q667 PolarHBondContact SG-O 3.01Å; C416-A671 HydrophobicContact CB-CB 3.73Å |
| 417 | G | 96 | Very high | 96.9 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | -11.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | N419 A420 A421 A679 | G417-N419 VanDerWaalsContact C-N 3.34Å; G417-N419 PolarHBondContact O-N 3.17Å; G417-A420 PolarHBondContact O-N 3.42Å; G417-A421 PolarHBondContact O-N 3.33Å; G417-A679 WeakPolarHBondContact O-CB 3.2Å |
| 418 | M | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -55.3 | -48.5 | 172.2 | -73.6 | -174.6 | 167.5 | 0 | 0 | 112 | N410 S413 S415 A420 A421 V422 V499 C530 | N410-M418 HydrophobicContact CB-SD 4.09Å; S413-M418 WeakPolarHBondContact O-CE 3.17Å; S415-M418 WeakPolarHBondContact O-CG 3.4Å; S415-M418 PolarHBondContact O-N 2.87Å; M418-A420 VanDerWaalsContact C-N 3.33Å; M418-A420 PolarHBondContact O-N 2.64Å; M418-A421 PolarHBondContact O-N 3.39Å; M418-V422 WeakPolarHBondContact O-CG2 3.14Å; M418-V422 PolarHBondContact O-N 3.42Å; M418-V499 HydrophobicContact CG-CG1 4.31Å; M418-C530 HydrophobicContact CE-CB 4.46Å; M418-C530 HydrophobicContact CG-CB 4.3Å; M418-C530 WeakPolarHBondContact CG-SG 3.08Å |
| 419 | N | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -64.1 | -37.7 | -179.6 | -60.1 | -40.6 | 0 | 0 | 0 | 112.2 | G417 V422 R423 W462 Y465 G466 G467 S468 F469 | G417-N419 VanDerWaalsContact C-N 3.34Å; G417-N419 PolarHBondContact O-N 3.17Å; N419-V422 PolarHBondContact O-N 3.08Å; N419-R423 WeakPolarHBondContact O-CB 3.22Å; N419-R423 PolarHBondContact O-N 3.46Å; N419-W462 HydrophobicContact CB-CB 4.21Å; N419-W462 HydrophobicContact CB-CE3 4.31Å; N419-W462 WeakPolarHBondContact CB-O 3.49Å; N419-Y465 PolarHBondContact ND2-O 3.23Å; N419-G466 PolarHBondContact ND2-O 2.93Å; N419-G467 PolarHBondContact ND2-O 2.97Å; N419-S468 WeakPolarHBondContact OD1-CA 3.31Å; N419-F469 PolarHBondContact OD1-N 3.26Å |
| 420 | A | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | G417 M418 C424 T463 A679 | G417-A420 PolarHBondContact O-N 3.42Å; M418-A420 VanDerWaalsContact C-N 3.33Å; M418-A420 PolarHBondContact O-N 2.64Å; A420-C424 WeakPolarHBondContact O-CB 3.48Å; A420-C424 PolarHBondContact O-N 3.17Å; A420-T463 HydrophobicContact CB-CG2 3.91Å; A420-A679 HydrophobicContact CB-CB 3.79Å |
| 421 | A | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -62.6 | -48.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G417 M418 R423 C424 F425 V499 A679 A683 | G417-A421 PolarHBondContact O-N 3.33Å; M418-A421 PolarHBondContact O-N 3.39Å; A421-R423 PolarHBondContact O-N 2.77Å; A421-C424 PolarHBondContact O-N 2.95Å; A421-F425 WeakPolarHBondContact O-CB 3.35Å; A421-F425 PolarHBondContact O-N 3.11Å; A421-V499 HydrophobicContact CB-CG1 4.08Å; A421-V499 HydrophobicContact CB-CG2 4.26Å; A421-A679 HydrophobicContact CB-CB 4.13Å; A421-A683 HydrophobicContact CB-CB 4.39Å; A421-A683 VanDerWaalsContact O-CB 3.27Å; A421-A683 WeakPolarHBondContact O-CB 3.43Å |
| 422 | V | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59 | -49.3 | 178.1 | 172 | 0 | 0 | 0 | 0 | 111.2 | V408 N410 M418 N419 C424 F425 V426 W462 L470 | V408-V422 HydrophobicContact CG1-CG1 4.13Å; V408-V422 HydrophobicContact CG2-CG2 4.02Å; N410-V422 WeakPolarHBondContact OD1-CG2 3.34Å; M418-V422 WeakPolarHBondContact O-CG2 3.14Å; M418-V422 PolarHBondContact O-N 3.42Å; N419-V422 PolarHBondContact O-N 3.08Å; V422-C424 VanDerWaalsContact C-N 3.31Å; V422-C424 PolarHBondContact O-N 2.89Å; V422-F425 PolarHBondContact O-N 2.97Å; V422-V426 HydrophobicContact CG1-CG2 4.35Å; V422-V426 VanDerWaalsContact O-CG2 3.32Å; V422-V426 WeakPolarHBondContact O-CG2 3.35Å; V422-V426 PolarHBondContact O-N 2.98Å; V422-W462 HydrophobicContact CB-CE3 4.43Å; V422-W462 HydrophobicContact CB-CZ3 4.34Å; V422-W462 HydrophobicContact CG1-CE3 4.15Å; V422-W462 HydrophobicContact CG1-CZ3 3.72Å; V422-L470 HydrophobicContact CG1-CD1 3.92Å; V422-L470 HydrophobicContact CG1-CG 4.42Å; V422-L470 HydrophobicContact CG2-CD1 3.94Å |
| 423 | R | 96.2 | Very high | 95.1 | Very high | 7 Ų | 7 | 11 Ų | 11 | 3% | 0.026 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -54 | -50.8 | 178 | 170.8 | -170.7 | 176.9 | -90.9 | 8 | 111.6 | E219 N419 A421 V426 R427 V459 W462 T463 | E219-R423 VanDerWaalsContact CD-NH2 3.26Å; E219-R423 VanDerWaalsContact CG-NH2 3.35Å; E219-R423 VanDerWaalsContact OE1-CD 3.28Å; E219-R423 WeakPolarHBondContact OE1-CD 3.24Å; E219-R423 IonicContact OE1-CZ 3.92Å; E219-R423 IonicContact OE1-NE 3.84Å; E219-R423 PolarHBondContact OE1-NE 3.33Å; E219-R423 VanDerWaalsContact OE1-NE 3.07Å; E219-R423 IonicContact OE2-CZ 3.67Å; E219-R423 IonicContact OE2-NE 3.91Å; E219-R423 PolarHBondContact OE2-NE 2.88Å; E219-R423 IonicContact OE2-NH2 3.48Å; E219-R423 PolarHBondContact OE2-NH2 3.29Å; N419-R423 WeakPolarHBondContact O-CB 3.22Å; N419-R423 PolarHBondContact O-N 3.46Å; A421-R423 PolarHBondContact O-N 2.77Å; R423-V426 PolarHBondContact O-N 3.42Å; R423-R427 VanDerWaalsContact NH2-NH1 3.1Å; R423-R427 PolarHBondContact O-N 3.09Å; R423-V459 HydrophobicContact CB-CB 3.98Å; R423-V459 HydrophobicContact CB-CG2 4.28Å; R423-V459 WeakPolarHBondContact CD-O 3.17Å; R423-V459 HydrophobicContact CG-CB 3.91Å; R423-V459 HydrophobicContact CG-CG2 3.8Å; R423-V459 WeakPolarHBondContact CG-O 3.28Å; R423-W462 HydrophobicContact CB-CB 4.04Å; R423-T463 WeakPolarHBondContact CD-OG1 3.4Å; R423-T463 PolarHBondContact NE-OG1 3.06Å |
| 424 | C | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.9 | -42.7 | -175.7 | -173.7 | 0 | 0 | 0 | 0 | 111.1 | A420 A421 V422 V426 R427 M428 T680 A683 I684 | A420-C424 WeakPolarHBondContact O-CB 3.48Å; A420-C424 PolarHBondContact O-N 3.17Å; A421-C424 PolarHBondContact O-N 2.95Å; V422-C424 VanDerWaalsContact C-N 3.31Å; V422-C424 PolarHBondContact O-N 2.89Å; C424-V426 PolarHBondContact O-N 2.96Å; C424-R427 PolarHBondContact O-N 2.79Å; C424-M428 WeakPolarHBondContact O-CB 3.26Å; C424-M428 VanDerWaalsContact O-CG 3.23Å; C424-M428 WeakPolarHBondContact O-CG 3.34Å; C424-M428 PolarHBondContact O-N 2.89Å; C424-T680 HydrophobicContact CB-CG2 4.43Å; C424-T680 PolarHBondContact SG-O 2.99Å; C424-T680 VanDerWaalsContact SG-O 3.34Å; C424-A683 HydrophobicContact CB-CB 3.66Å; C424-I684 WeakPolarHBondContact SG-CG1 3.29Å |
| 425 | F | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.1 | -44.9 | 174.8 | -176.5 | -102.3 | 0 | 0 | 0 | 112.5 | L406 V408 A421 V422 M428 G429 V436 L497 A683 A687 L690 | L406-F425 HydrophobicContact CB-CE1 4.08Å; L406-F425 HydrophobicContact CB-CZ 4.04Å; L406-F425 HydrophobicContact CD1-CZ 4.17Å; V408-F425 HydrophobicContact CB-CD1 3.69Å; V408-F425 HydrophobicContact CB-CE1 3.9Å; V408-F425 HydrophobicContact CG1-CD1 4.07Å; V408-F425 HydrophobicContact CG1-CE1 4.5Å; V408-F425 HydrophobicContact CG2-CD1 4.19Å; A421-F425 WeakPolarHBondContact O-CB 3.35Å; A421-F425 PolarHBondContact O-N 3.11Å; V422-F425 PolarHBondContact O-N 2.97Å; F425-M428 PolarHBondContact O-N 2.97Å; F425-G429 PolarHBondContact O-N 3.23Å; F425-V436 HydrophobicContact CD1-CG1 4.14Å; F425-V436 HydrophobicContact CE1-CG1 4.08Å; F425-L497 HydrophobicContact CB-CD2 3.75Å; F425-L497 HydrophobicContact CD1-CB 4.43Å; F425-L497 HydrophobicContact CD1-CD2 3.93Å; F425-L497 HydrophobicContact CD2-CB 4.32Å; F425-L497 HydrophobicContact CD2-CD2 3.33Å; F425-L497 HydrophobicContact CD2-CG 4.41Å; F425-L497 HydrophobicContact CE1-CB 4.05Å; F425-L497 HydrophobicContact CE1-CD2 4.35Å; F425-L497 HydrophobicContact CE2-CB 3.94Å; F425-L497 HydrophobicContact CE2-CD2 3.82Å; F425-L497 HydrophobicContact CE2-CG 4.47Å; F425-L497 HydrophobicContact CG-CD2 3.38Å; F425-L497 HydrophobicContact CZ-CB 3.78Å; F425-L497 HydrophobicContact CZ-CD2 4.29Å; F425-A683 HydrophobicContact CB-CB 4.43Å; F425-A687 HydrophobicContact CD2-CB 3.68Å; F425-A687 HydrophobicContact CE2-CB 3.98Å; F425-L690 HydrophobicContact CE2-CD1 3.92Å; F425-L690 HydrophobicContact CZ-CD1 4.08Å |
| 426 | V | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59 | -50.4 | 176.6 | 168.4 | 0 | 0 | 0 | 0 | 111 | V408 V422 R423 C424 M428 G429 L430 V436 M454 V459 | V408-V426 HydrophobicContact CG1-CG2 4.44Å; V422-V426 HydrophobicContact CG1-CG2 4.35Å; V422-V426 VanDerWaalsContact O-CG2 3.32Å; V422-V426 WeakPolarHBondContact O-CG2 3.35Å; V422-V426 PolarHBondContact O-N 2.98Å; R423-V426 PolarHBondContact O-N 3.42Å; C424-V426 PolarHBondContact O-N 2.96Å; V426-M428 VanDerWaalsContact C-N 3.31Å; V426-M428 PolarHBondContact O-N 2.91Å; V426-G429 PolarHBondContact O-N 2.66Å; V426-L430 HydrophobicContact CG1-CD1 3.9Å; V426-L430 VanDerWaalsContact O-CG 3.26Å; V426-L430 WeakPolarHBondContact O-CG 3.29Å; V426-L430 PolarHBondContact O-N 3.4Å; V426-L430 VanDerWaalsContact O-N 3.08Å; V426-V436 HydrophobicContact CB-CG1 4.46Å; V426-V436 HydrophobicContact CG2-CB 4.48Å; V426-V436 HydrophobicContact CG2-CG1 3.82Å; V426-M454 HydrophobicContact CG1-CB 3.7Å; V426-M454 HydrophobicContact CG2-CB 4.04Å; V426-M454 HydrophobicContact CG2-CG 4.07Å; V426-V459 HydrophobicContact CB-CG1 4.11Å; V426-V459 HydrophobicContact CB-CG2 4.27Å; V426-V459 HydrophobicContact CG1-CG1 4.06Å; V426-V459 HydrophobicContact CG1-CG2 4.03Å; V426-V459 HydrophobicContact CG2-CG1 4.1Å |
| 427 | R | 93.7 | Very high | 95.3 | Very high | 14 Ų | 14 | 12.4 Ų | 12.4 | 5% | 0.053 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.9 | -39.7 | 178.8 | -73.8 | -167.1 | 175 | -172.8 | 3.8 | 112 | L386 R423 C424 Y431 W456 V459 | L386-R427 HydrophobicContact CD2-CB 4.11Å; L386-R427 PolarHBondContact O-NH1 3.27Å; R423-R427 VanDerWaalsContact NH2-NH1 3.1Å; R423-R427 PolarHBondContact O-N 3.09Å; C424-R427 PolarHBondContact O-N 2.79Å; R427-Y431 VanDerWaalsContact O-CB 3.23Å; R427-Y431 WeakPolarHBondContact O-CB 3.34Å; R427-Y431 PolarHBondContact O-N 2.94Å; R427-W456 HydrophobicContact CB-CE3 4.35Å; R427-W456 HydrophobicContact CB-CH2 4.09Å; R427-W456 HydrophobicContact CB-CZ2 4.47Å; R427-W456 HydrophobicContact CB-CZ3 4.04Å; R427-W456 HydrophobicContact CG-CD2 4.21Å; R427-W456 HydrophobicContact CG-CE3 4.27Å; R427-W456 HydrophobicContact CG-CH2 4.4Å; R427-W456 HydrophobicContact CG-CZ2 4.32Å; R427-W456 HydrophobicContact CG-CZ3 4.38Å; R427-W456 WeakPolarHBondContact O-CZ3 3.46Å; R427-V459 HydrophobicContact CG-CG2 4.22Å |
| 428 | M | 93.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -69.3 | -41.3 | 179.3 | -71.2 | -61.4 | -51.6 | 0 | 0 | 113 | L385 C424 F425 V426 Y431 H432 I684 A687 Q688 | L385-M428 HydrophobicContact CD1-CE 4.01Å; L385-M428 HydrophobicContact CD1-SD 3.86Å; L385-M428 HydrophobicContact CD2-CE 4.48Å; L385-M428 HydrophobicContact CD2-SD 3.33Å; L385-M428 WeakPolarHBondContact CD2-SD 3.45Å; L385-M428 HydrophobicContact CG-SD 4.25Å; C424-M428 WeakPolarHBondContact O-CB 3.26Å; C424-M428 VanDerWaalsContact O-CG 3.23Å; C424-M428 WeakPolarHBondContact O-CG 3.34Å; C424-M428 PolarHBondContact O-N 2.89Å; F425-M428 PolarHBondContact O-N 2.97Å; V426-M428 VanDerWaalsContact C-N 3.31Å; V426-M428 PolarHBondContact O-N 2.91Å; M428-Y431 WeakPolarHBondContact O-CB 3.37Å; M428-Y431 PolarHBondContact O-N 3.05Å; M428-H432 WeakPolarHBondContact CE-NE2 3.23Å; M428-H432 PolarHBondContact O-CD2 2.92Å; M428-H432 PolarHBondContact O-N 3.42Å; M428-I684 HydrophobicContact CE-CG2 4.07Å; M428-I684 HydrophobicContact CG-CG1 4.15Å; M428-I684 HydrophobicContact SD-CG1 4.18Å; M428-I684 HydrophobicContact SD-CG2 4.23Å; M428-A687 HydrophobicContact CB-CB 3.35Å; M428-A687 HydrophobicContact CG-CB 4.19Å; M428-Q688 HydrophobicContact CE-CG 3.83Å |
| 429 | G | 94.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.3 | -48.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | F425 V426 Y431 H432 G433 C434 | F425-G429 PolarHBondContact O-N 3.23Å; V426-G429 PolarHBondContact O-N 2.66Å; G429-Y431 PolarHBondContact O-N 3.34Å; G429-H432 CarbonylContact O-C 3.58Å; G429-H432 PolarHBondContact O-N 3.27Å; G429-H432 VanDerWaalsContact O-N 3.16Å; G429-G433 PolarHBondContact O-N 3.46Å; G429-C434 VanDerWaalsContact O-CB 3.27Å; G429-C434 WeakPolarHBondContact O-CB 3.39Å; G429-C434 PolarHBondContact O-N 3.45Å |
| 430 | L | 93.3 | Very high | 95.5 | Very high | 32 Ų | 32 | 16.8 Ų | 16.8 | 17% | 0.168 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.6 | -38.7 | 177.3 | -65.5 | 171.6 | 0 | 0 | 0 | 112.4 | P391 V426 H432 G433 V436 W456 | P391-L430 HydrophobicContact CB-CB 4.46Å; V426-L430 HydrophobicContact CG1-CD1 3.9Å; V426-L430 VanDerWaalsContact O-CG 3.26Å; V426-L430 WeakPolarHBondContact O-CG 3.29Å; V426-L430 PolarHBondContact O-N 3.4Å; V426-L430 VanDerWaalsContact O-N 3.08Å; L430-H432 PolarHBondContact O-N 3.07Å; L430-G433 PolarHBondContact O-N 3.34Å; L430-V436 HydrophobicContact CG-CG2 4.33Å; L430-W456 HydrophobicContact CB-CE3 3.95Å; L430-W456 HydrophobicContact CB-CZ3 4.3Å; L430-W456 HydrophobicContact CD1-CB 4.16Å; L430-W456 HydrophobicContact CD1-CE3 4.24Å |
| 431 | Y | 90.7 | Very high | 95.5 | Very high | 46 Ų | 46 | 19 Ų | 19 | 18% | 0.18 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.6 | -37.8 | 174 | 171.1 | -80.7 | 0 | 0 | 0 | 111.3 | L385 P392 R427 M428 G429 G433 | L385-Y431 HydrophobicContact CD1-CD1 4.2Å; L385-Y431 HydrophobicContact CD1-CD2 3.78Å; L385-Y431 HydrophobicContact CD1-CE1 4.02Å; L385-Y431 HydrophobicContact CD1-CE2 3.52Å; L385-Y431 HydrophobicContact CD1-CG 4.15Å; L385-Y431 HydrophobicContact CD2-CD2 3.86Å; L385-Y431 HydrophobicContact CD2-CE2 4.36Å; L385-Y431 HydrophobicContact CD2-CG 4.24Å; L385-Y431 HydrophobicContact CG-CD2 3.64Å; L385-Y431 HydrophobicContact CG-CE2 3.62Å; L385-Y431 HydrophobicContact CG-CG 4.33Å; P392-Y431 HydrophobicContact CB-CE2 4.4Å; P392-Y431 HydrophobicContact CG-CD2 3.14Å; P392-Y431 HydrophobicContact CG-CE2 3.05Å; P392-Y431 HydrophobicContact CG-CG 4.14Å; R427-Y431 VanDerWaalsContact O-CB 3.23Å; R427-Y431 WeakPolarHBondContact O-CB 3.34Å; R427-Y431 PolarHBondContact O-N 2.94Å; M428-Y431 WeakPolarHBondContact O-CB 3.37Å; M428-Y431 PolarHBondContact O-N 3.05Å; G429-Y431 PolarHBondContact O-N 3.34Å; Y431-G433 VanDerWaalsContact C-N 3.26Å; Y431-G433 PolarHBondContact O-N 2.87Å |
| 432 | H | 91 | Very high | 95.5 | Very high | 6 Ų | 6 | 19 Ų | 19 | 3% | 0.028 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 18 | 176.2 | -65.3 | -57.5 | 0 | 0 | 0 | 113.9 | L398 S399 M428 G429 L430 C434 V691 | L398-H432 VanDerWaalsContact CD1-CE1 3.49Å; L398-H432 WeakPolarHBondContact CD1-CE1 3.18Å; L398-H432 PolarHBondContact N-ND1 3.47Å; S399-H432 VanDerWaalsContact CB-O 3.24Å; S399-H432 WeakPolarHBondContact CB-O 3.32Å; S399-H432 PolarHBondContact OG-O 2.94Å; M428-H432 WeakPolarHBondContact CE-NE2 3.23Å; M428-H432 PolarHBondContact O-CD2 2.92Å; M428-H432 PolarHBondContact O-N 3.42Å; G429-H432 CarbonylContact O-C 3.58Å; G429-H432 PolarHBondContact O-N 3.27Å; G429-H432 VanDerWaalsContact O-N 3.16Å; L430-H432 PolarHBondContact O-N 3.07Å; H432-C434 PolarHBondContact O-N 2.91Å; H432-V691 HydrophobicContact CB-CG1 4.07Å; H432-V691 HydrophobicContact CB-CG2 4.23Å |
| 433 | G | 89.5 | Confident | 95.5 | Very high | 38 Ų | 38 | 19 Ų | 19 | 39% | 0.392 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 12.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | G429 L430 Y431 | G429-G433 PolarHBondContact O-N 3.46Å; L430-G433 PolarHBondContact O-N 3.34Å; Y431-G433 VanDerWaalsContact C-N 3.26Å; Y431-G433 PolarHBondContact O-N 2.87Å |
| 434 | C | 93.5 | Very high | 95.5 | Very high | 5 Ų | 5 | 22.6 Ų | 22.6 | 3% | 0.034 | 11% | 0.113 | C | C | . | . | trans | -86.8 | 156.4 | 177.5 | -55.8 | 0 | 0 | 0 | 0 | 110.7 | F404 L406 G429 H432 | F404-C434 HydrophobicContact CB-CB 4.44Å; F404-C434 CarbonylContact O-C 3.56Å; F404-C434 VanDerWaalsContact O-CA 3.31Å; F404-C434 WeakPolarHBondContact O-CA 3.37Å; F404-C434 VanDerWaalsContact O-CB 3.29Å; F404-C434 WeakPolarHBondContact O-CB 3.3Å; L406-C434 HydrophobicContact CD1-CB 3.84Å; L406-C434 HydrophobicContact CG-CB 3.9Å; G429-C434 VanDerWaalsContact O-CB 3.27Å; G429-C434 WeakPolarHBondContact O-CB 3.39Å; G429-C434 PolarHBondContact O-N 3.45Å; H432-C434 PolarHBondContact O-N 2.91Å | ||
| 435 | K | 96.2 | Very high | 95.6 | Very high | 88 Ų | 88 | 22.6 Ų | 22.6 | 38% | 0.383 | 11% | 0.113 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 143.7 | 162.6 | -70 | -173.9 | 164.8 | -132.3 | 0 | 109.1 | F404 N405 L406 Y437 E453 | F404-K435 PolarHBondContact O-N 3.49Å; N405-K435 CarbonylContact C-O 3.6Å; N405-K435 WeakPolarHBondContact CA-O 3.26Å; L406-K435 PolarHBondContact N-O 2.96Å; K435-Y437 HydrophobicContact CB-CE2 4.25Å; K435-E453 WeakPolarHBondContact CE-OE1 3.46Å; K435-E453 IonicContact NZ-OE1 2.66Å; K435-E453 PolarHBondContact NZ-OE1 3.19Å; K435-E453 IonicContact NZ-OE2 3.93Å; K435-E453 PolarHBondContact NZ-OE2 3.07Å |
| 436 | V | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 127.7 | 178.3 | -169.8 | 0 | 0 | 0 | 0 | 109.8 | L406 V408 F425 V426 L430 M454 | L406-V436 HydrophobicContact CB-CG2 4.44Å; L406-V436 HydrophobicContact CD1-CG2 4.49Å; L406-V436 CarbonylContact O-C 3.59Å; L406-V436 WeakPolarHBondContact O-CA 3.34Å; V408-V436 HydrophobicContact CG1-CG1 4.42Å; F425-V436 HydrophobicContact CD1-CG1 4.14Å; F425-V436 HydrophobicContact CE1-CG1 4.08Å; V426-V436 HydrophobicContact CB-CG1 4.46Å; V426-V436 HydrophobicContact CG2-CB 4.48Å; V426-V436 HydrophobicContact CG2-CG1 3.82Å; L430-V436 HydrophobicContact CG-CG2 4.33Å; V436-M454 WeakPolarHBondContact O-CB 3.02Å; V436-M454 PolarHBondContact O-N 3.47Å |
| 437 | Y | 98.6 | Very high | 95.7 | Very high | 24 Ų | 24 | 24.2 Ų | 24.2 | 9% | 0.094 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 130.9 | 175 | -68.7 | -85.4 | 0 | 0 | 0 | 110.3 | N405 L406 A407 V408 K435 L451 T452 E453 Y491 I493 | N405-Y437 HydrophobicContact CB-CD2 4.29Å; N405-Y437 HydrophobicContact CB-CE2 4.02Å; L406-Y437 PolarHBondContact O-N 2.74Å; A407-Y437 CarbonylContact C-O 3.6Å; A407-Y437 VanDerWaalsContact CA-O 3.27Å; A407-Y437 WeakPolarHBondContact CA-O 3.26Å; V408-Y437 PolarHBondContact N-O 3.18Å; K435-Y437 HydrophobicContact CB-CE2 4.25Å; Y437-L451 HydrophobicContact CD1-CB 4.45Å; Y437-T452 CarbonylContact C-O 3.55Å; Y437-T452 WeakPolarHBondContact CA-O 3.27Å; Y437-E453 HydrophobicContact CD1-CB 4.07Å; Y437-E453 HydrophobicContact CE1-CB 3.66Å; Y437-E453 HydrophobicContact CE1-CG 4.12Å; Y437-E453 PolarHBondContact OH-OE2 3.43Å; Y437-E453 VanDerWaalsContact OH-OE2 3.05Å; Y437-Y491 HydrophobicContact CD1-CD1 4.04Å; Y437-Y491 HydrophobicContact CD1-CE1 4.49Å; Y437-Y491 AromaticContact CE1-CD1 3.91Å; Y437-Y491 HydrophobicContact CE1-CD1 3.91Å; Y437-Y491 HydrophobicContact CE1-CE1 4.37Å; Y437-I493 HydrophobicContact CD2-CD1 3.85Å; Y437-I493 HydrophobicContact CG-CD1 4.32Å |
| 438 | A | 98.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | L451 T452 M454 L470 | A438-L451 WeakPolarHBondContact O-CA 3.3Å; A438-T452 PolarHBondContact N-O 2.75Å; A438-T452 PolarHBondContact O-N 2.98Å; A438-M454 HydrophobicContact CB-CE 4.15Å; A438-M454 HydrophobicContact CB-CG 3.61Å; A438-M454 HydrophobicContact CB-SD 3.41Å; A438-M454 WeakPolarHBondContact CB-SD 3.47Å; A438-L470 HydrophobicContact CB-CD1 4Å; A438-L470 HydrophobicContact CB-CD2 3.63Å; A438-L470 HydrophobicContact CB-CG 4.49Å |
| 439 | I | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 122.3 | 176.2 | -61.7 | 162.8 | 0 | 0 | 0 | 107.7 | A407 V408 M409 S442 L446 L451 L496 | A407-I439 HydrophobicContact CB-CD1 3.89Å; A407-I439 HydrophobicContact CB-CG1 4.48Å; V408-I439 PolarHBondContact O-N 3.46Å; M409-I439 HydrophobicContact CB-CB 3.73Å; M409-I439 HydrophobicContact CB-CD1 4.17Å; M409-I439 HydrophobicContact CB-CG1 4.47Å; M409-I439 HydrophobicContact CB-CG2 4.12Å; M409-I439 HydrophobicContact CE-CD1 3.63Å; M409-I439 HydrophobicContact SD-CD1 4.49Å; M409-I439 HydrophobicContact SD-CG2 4.45Å; I439-S442 WeakPolarHBondContact CG2-O 3.42Å; I439-L446 HydrophobicContact CD1-CD1 4.17Å; I439-L446 HydrophobicContact CD1-CD2 4.33Å; I439-L446 HydrophobicContact CG1-CD1 4.36Å; I439-L446 HydrophobicContact CG2-CB 3.75Å; I439-L446 HydrophobicContact CG2-CD1 4.35Å; I439-L446 HydrophobicContact CG2-CG 4.5Å; I439-L451 HydrophobicContact CD1-CD2 4.46Å; I439-L451 HydrophobicContact CG1-CD2 3.82Å; I439-L451 HydrophobicContact CG1-CG 3.82Å; I439-L496 HydrophobicContact CD1-CD1 4.04Å |
| 440 | K | 97.8 | Very high | 96.1 | Very high | 92 Ų | 92 | 35 Ų | 35 | 40% | 0.4 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -85.9 | 149.9 | 177.7 | -60.8 | -172 | 178.8 | -177.4 | 0 | 111.1 | S442 G445 K450 L470 | K440-S442 VanDerWaalsContact C-N 3.27Å; K440-S442 PolarHBondContact O-N 2.97Å; K440-G445 WeakPolarHBondContact O-CA 3.41Å; K440-K450 HydrophobicContact CB-CB 4.15Å; K440-K450 HydrophobicContact CB-CD 4.49Å; K440-K450 PolarHBondContact N-O 2.64Å; K440-L470 CarbonylContact C-O 3.57Å; K440-L470 WeakPolarHBondContact CA-O 3.19Å |
| 441 | D | 97.1 | Very high | 96.3 | Very high | 47 Ų | 47 | 34.3 Ų | 34.3 | 25% | 0.251 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 54.7 | 35.9 | 174.2 | -51.8 | -42.4 | 0 | 0 | 0 | 114.3 | Q444 G445 K450 L470 | D441-Q444 PolarHBondContact O-N 2.99Å; D441-G445 PolarHBondContact O-N 3.27Å; D441-K450 IonicContact OD2-NZ 2.8Å; D441-K450 PolarHBondContact OD2-NZ 3.08Å; D441-L470 PolarHBondContact N-O 2.57Å |
| 442 | S | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | 54.4 | -143.9 | 177.3 | -45 | 0 | 0 | 0 | 0 | 112.5 | N410 I439 K440 Q444 G445 L446 Q473 | N410-S442 WeakPolarHBondContact O-CB 3.32Å; N410-S442 PolarHBondContact O-OG 3.28Å; I439-S442 WeakPolarHBondContact CG2-O 3.42Å; K440-S442 VanDerWaalsContact C-N 3.27Å; K440-S442 PolarHBondContact O-N 2.97Å; S442-Q444 VanDerWaalsContact C-N 3.29Å; S442-Q444 PolarHBondContact O-N 2.89Å; S442-G445 PolarHBondContact O-N 2.86Å; S442-L446 PolarHBondContact O-N 3.35Å; S442-Q473 PolarHBondContact OG-N 2.99Å; S442-Q473 PolarHBondContact OG-O 2.75Å |
| 443 | F | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.3 | -31.5 | 178.8 | -68.4 | -80.5 | 0 | 0 | 0 | 113.3 | M409 V411 G445 L446 I447 S475 P477 M479 V484 L498 A507 L511 | M409-F443 HydrophobicContact CE-CD1 4.43Å; M409-F443 HydrophobicContact CE-CE1 3.85Å; M409-F443 HydrophobicContact CE-CZ 3.9Å; M409-F443 HydrophobicContact SD-CD1 4.45Å; M409-F443 HydrophobicContact SD-CD2 4.2Å; M409-F443 HydrophobicContact SD-CE1 4.2Å; M409-F443 HydrophobicContact SD-CE2 3.95Å; M409-F443 HydrophobicContact SD-CG 4.45Å; M409-F443 HydrophobicContact SD-CZ 3.95Å; V411-F443 HydrophobicContact CG1-CD2 4.45Å; V411-F443 HydrophobicContact CG1-CE2 4.28Å; V411-F443 HydrophobicContact CG2-CD2 4.4Å; V411-F443 HydrophobicContact CG2-CE2 3.96Å; F443-G445 VanDerWaalsContact C-N 3.31Å; F443-G445 PolarHBondContact O-N 2.95Å; F443-L446 HydrophobicContact CD1-CD2 4.11Å; F443-L446 HydrophobicContact CE1-CD2 4.38Å; F443-L446 PolarHBondContact O-N 3.37Å; F443-I447 WeakPolarHBondContact O-CD1 3.29Å; F443-I447 VanDerWaalsContact O-CG1 3.29Å; F443-I447 WeakPolarHBondContact O-CG1 3.44Å; F443-I447 PolarHBondContact O-N 3.32Å; F443-S475 VanDerWaalsContact CD2-O 3.27Å; F443-S475 WeakPolarHBondContact CD2-O 3.15Å; F443-S475 PolarHBondContact N-OG 3.1Å; F443-P477 HydrophobicContact CD1-CB 3.76Å; F443-P477 HydrophobicContact CD1-CG 4.36Å; F443-P477 HydrophobicContact CE1-CB 3.65Å; F443-P477 HydrophobicContact CE1-CG 3.93Å; F443-P477 HydrophobicContact CE2-CG 4.43Å; F443-P477 HydrophobicContact CG-CB 4.4Å; F443-P477 HydrophobicContact CZ-CB 4.2Å; F443-P477 HydrophobicContact CZ-CG 3.96Å; F443-M479 HydrophobicContact CB-SD 4.31Å; F443-V484 HydrophobicContact CD1-CG1 4.3Å; F443-V484 HydrophobicContact CD1-CG2 4.08Å; F443-V484 HydrophobicContact CE1-CG1 4.35Å; F443-L498 HydrophobicContact CE2-CD2 4.07Å; F443-L498 HydrophobicContact CZ-CD2 3.82Å; F443-A507 HydrophobicContact CD2-CB 4.48Å; F443-A507 HydrophobicContact CE2-CB 3.42Å; F443-A507 VanDerWaalsContact CE2-CB 3.42Å; F443-A507 HydrophobicContact CZ-CB 3.68Å; F443-L511 HydrophobicContact CE1-CD1 4.23Å; F443-L511 HydrophobicContact CZ-CD1 4.19Å |
| 444 | Q | 96.9 | Very high | 97.3 | Very high | 81 Ų | 81 | 38.3 Ų | 38.3 | 38% | 0.379 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.1 | -37.2 | 177.8 | -167.7 | 179.6 | 19 | 0 | 0 | 112.3 | D441 S442 K448 M479 | D441-Q444 PolarHBondContact O-N 2.99Å; S442-Q444 VanDerWaalsContact C-N 3.29Å; S442-Q444 PolarHBondContact O-N 2.89Å; Q444-K448 WeakPolarHBondContact O-CG 3.46Å; Q444-M479 HydrophobicContact CB-CE 4.43Å; Q444-M479 HydrophobicContact CG-CE 4.31Å |
| 445 | G | 97.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -81.2 | -31.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K440 D441 S442 F443 I447 K448 G449 K450 | K440-G445 WeakPolarHBondContact O-CA 3.41Å; D441-G445 PolarHBondContact O-N 3.27Å; S442-G445 PolarHBondContact O-N 2.86Å; F443-G445 VanDerWaalsContact C-N 3.31Å; F443-G445 PolarHBondContact O-N 2.95Å; G445-I447 PolarHBondContact O-N 3.19Å; G445-K448 CarbonylContact O-C 3.47Å; G445-K448 WeakPolarHBondContact O-CA 3.35Å; G445-K448 PolarHBondContact O-N 3.05Å; G445-K448 VanDerWaalsContact O-N 3.09Å; G445-G449 PolarHBondContact O-N 3.31Å; G445-K450 WeakPolarHBondContact O-CB 3.29Å; G445-K450 PolarHBondContact O-N 2.94Å |
| 446 | L | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.2 | -50.2 | 172.4 | -178.8 | 51.6 | 0 | 0 | 0 | 111.7 | M409 I439 S442 F443 K448 G449 L451 V484 Q487 L488 | M409-L446 HydrophobicContact CE-CD2 4.02Å; I439-L446 HydrophobicContact CD1-CD1 4.17Å; I439-L446 HydrophobicContact CD1-CD2 4.33Å; I439-L446 HydrophobicContact CG1-CD1 4.36Å; I439-L446 HydrophobicContact CG2-CB 3.75Å; I439-L446 HydrophobicContact CG2-CD1 4.35Å; I439-L446 HydrophobicContact CG2-CG 4.5Å; S442-L446 PolarHBondContact O-N 3.35Å; F443-L446 HydrophobicContact CD1-CD2 4.11Å; F443-L446 HydrophobicContact CE1-CD2 4.38Å; F443-L446 PolarHBondContact O-N 3.37Å; L446-K448 PolarHBondContact O-N 3.13Å; L446-K448 VanDerWaalsContact O-N 3.13Å; L446-G449 WeakPolarHBondContact O-CA 3.46Å; L446-G449 PolarHBondContact O-N 3.41Å; L446-L451 HydrophobicContact CD1-CD1 3.74Å; L446-L451 HydrophobicContact CD1-CD2 4.35Å; L446-L451 HydrophobicContact CD1-CG 4.39Å; L446-V484 HydrophobicContact CD2-CG1 3.81Å; L446-Q487 HydrophobicContact CD1-CB 3.87Å; L446-Q487 HydrophobicContact CG-CB 4.45Å; L446-Q487 VanDerWaalsContact O-CG 3.31Å; L446-Q487 WeakPolarHBondContact O-CG 3.19Å; L446-L488 HydrophobicContact CD2-CD2 4.33Å |
| 447 | I | 97.3 | Very high | 96.5 | Very high | 34 Ų | 34 | 40 Ų | 40 | 17% | 0.174 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.3 | -30.4 | 177.9 | -71.4 | 160.8 | 0 | 0 | 0 | 111.8 | F443 G445 G449 M479 N480 A483 V484 | F443-I447 WeakPolarHBondContact O-CD1 3.29Å; F443-I447 VanDerWaalsContact O-CG1 3.29Å; F443-I447 WeakPolarHBondContact O-CG1 3.44Å; F443-I447 PolarHBondContact O-N 3.32Å; G445-I447 PolarHBondContact O-N 3.19Å; I447-G449 VanDerWaalsContact C-N 3.31Å; I447-M479 HydrophobicContact CD1-CE 3.91Å; I447-M479 HydrophobicContact CD1-CG 3.34Å; I447-M479 HydrophobicContact CD1-SD 3.52Å; I447-M479 VanDerWaalsContact CD1-SD 3.52Å; I447-N480 HydrophobicContact CD1-CB 3.83Å; I447-N480 HydrophobicContact CG1-CB 4.36Å; I447-A483 HydrophobicContact CB-CB 4.42Å; I447-A483 HydrophobicContact CG1-CB 4.2Å; I447-A483 HydrophobicContact CG2-CB 3.86Å; I447-V484 HydrophobicContact CD1-CG2 4.14Å; I447-V484 HydrophobicContact CG1-CG2 3.74Å |
| 448 | K | 96.8 | Very high | 96.2 | Very high | 136 Ų | 136 | 40.9 Ų | 40.9 | 59% | 0.591 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 4.3 | 177 | -64.1 | 175.7 | -176.1 | 179.6 | 0 | 113.3 | Q444 G445 L446 K450 | Q444-K448 WeakPolarHBondContact O-CG 3.46Å; G445-K448 CarbonylContact O-C 3.47Å; G445-K448 WeakPolarHBondContact O-CA 3.35Å; G445-K448 PolarHBondContact O-N 3.05Å; G445-K448 VanDerWaalsContact O-N 3.09Å; L446-K448 PolarHBondContact O-N 3.13Å; L446-K448 VanDerWaalsContact O-N 3.13Å; K448-K450 HydrophobicContact CB-CG 4.26Å; K448-K450 PolarHBondContact O-N 3.23Å |
| 449 | G | 95.8 | Very high | 95.9 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 25 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G445 L446 I447 L451 Y491 | G445-G449 PolarHBondContact O-N 3.31Å; L446-G449 WeakPolarHBondContact O-CA 3.46Å; L446-G449 PolarHBondContact O-N 3.41Å; I447-G449 VanDerWaalsContact C-N 3.31Å; G449-L451 VanDerWaalsContact C-N 3.26Å; G449-L451 PolarHBondContact O-N 3.41Å; G449-Y491 PolarHBondContact O-OH 3.26Å |
| 450 | K | 97.5 | Very high | 95.4 | Very high | 89 Ų | 89 | 42.5 Ų | 42.5 | 39% | 0.387 | 22% | 0.217 | S | C | . | . | trans | -80.5 | 66.1 | -179.1 | -63.8 | -170.3 | -179 | -176.1 | 0 | 112.7 | K440 D441 G445 K448 | K440-K450 HydrophobicContact CB-CB 4.15Å; K440-K450 HydrophobicContact CB-CD 4.49Å; K440-K450 PolarHBondContact N-O 2.64Å; D441-K450 IonicContact OD2-NZ 2.8Å; D441-K450 PolarHBondContact OD2-NZ 3.08Å; G445-K450 WeakPolarHBondContact O-CB 3.29Å; G445-K450 PolarHBondContact O-N 2.94Å; K448-K450 HydrophobicContact CB-CG 4.26Å; K448-K450 PolarHBondContact O-N 3.23Å | ||
| 451 | L | 97.3 | Very high | 94.9 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.089 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 142.6 | 173.1 | -64.4 | 81.3 | 0 | 0 | 0 | 110.8 | Y437 A438 I439 L446 G449 Y491 I493 | Y437-L451 HydrophobicContact CD1-CB 4.45Å; A438-L451 WeakPolarHBondContact O-CA 3.3Å; I439-L451 HydrophobicContact CD1-CD2 4.46Å; I439-L451 HydrophobicContact CG1-CD2 3.82Å; I439-L451 HydrophobicContact CG1-CG 3.82Å; L446-L451 HydrophobicContact CD1-CD1 3.74Å; L446-L451 HydrophobicContact CD1-CD2 4.35Å; L446-L451 HydrophobicContact CD1-CG 4.39Å; G449-L451 VanDerWaalsContact C-N 3.26Å; G449-L451 PolarHBondContact O-N 3.41Å; L451-Y491 HydrophobicContact CB-CD1 4.15Å; L451-Y491 HydrophobicContact CB-CE1 3.81Å; L451-Y491 HydrophobicContact CB-CE2 4.23Å; L451-Y491 HydrophobicContact CB-CG 4.48Å; L451-Y491 HydrophobicContact CD1-CD2 3.94Å; L451-Y491 HydrophobicContact CD1-CE2 3.67Å; L451-Y491 HydrophobicContact CD2-CD1 4.22Å; L451-Y491 HydrophobicContact CD2-CD2 3.91Å; L451-Y491 HydrophobicContact CD2-CE2 4.36Å; L451-Y491 HydrophobicContact CD2-CG 3.84Å; L451-Y491 HydrophobicContact CG-CD2 4.32Å; L451-Y491 HydrophobicContact CG-CE2 4.28Å; L451-I493 HydrophobicContact CD2-CD1 4.48Å |
| 452 | T | 97.6 | Very high | 94.7 | Very high | 59 Ų | 59 | 40.8 Ų | 40.8 | 36% | 0.362 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 127.5 | 176 | -54.1 | 0 | 0 | 0 | 0 | 109.5 | Y437 A438 M454 | Y437-T452 CarbonylContact C-O 3.55Å; Y437-T452 WeakPolarHBondContact CA-O 3.27Å; A438-T452 PolarHBondContact N-O 2.75Å; A438-T452 PolarHBondContact O-N 2.98Å; T452-M454 PolarHBondContact O-N 3.24Å |
| 453 | E | 97.9 | Very high | 94.5 | Very high | 99 Ų | 99 | 40.9 Ų | 40.9 | 46% | 0.463 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 125 | 172.6 | -170.6 | 167.3 | 158.6 | 0 | 0 | 109.1 | K435 Y437 | K435-E453 WeakPolarHBondContact CE-OE1 3.46Å; K435-E453 IonicContact NZ-OE1 2.66Å; K435-E453 PolarHBondContact NZ-OE1 3.19Å; K435-E453 IonicContact NZ-OE2 3.93Å; K435-E453 PolarHBondContact NZ-OE2 3.07Å; Y437-E453 HydrophobicContact CD1-CB 4.07Å; Y437-E453 HydrophobicContact CE1-CB 3.66Å; Y437-E453 HydrophobicContact CE1-CG 4.12Å; Y437-E453 PolarHBondContact OH-OE2 3.43Å; Y437-E453 VanDerWaalsContact OH-OE2 3.05Å |
| 454 | M | 97 | Very high | 94.2 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 8% | 0.084 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 142.1 | -175.2 | -57.7 | -59 | -77 | 0 | 0 | 110.5 | V426 V436 A438 T452 S458 V459 W462 | V426-M454 HydrophobicContact CG1-CB 3.7Å; V426-M454 HydrophobicContact CG2-CB 4.04Å; V426-M454 HydrophobicContact CG2-CG 4.07Å; V436-M454 WeakPolarHBondContact O-CB 3.02Å; V436-M454 PolarHBondContact O-N 3.47Å; A438-M454 HydrophobicContact CB-CE 4.15Å; A438-M454 HydrophobicContact CB-CG 3.61Å; A438-M454 HydrophobicContact CB-SD 3.41Å; A438-M454 WeakPolarHBondContact CB-SD 3.47Å; T452-M454 PolarHBondContact O-N 3.24Å; M454-S458 WeakPolarHBondContact CE-OG 3.33Å; M454-V459 HydrophobicContact CE-CG1 3.54Å; M454-W462 HydrophobicContact CE-CH2 4.11Å; M454-W462 HydrophobicContact CE-CZ2 4.36Å |
| 455 | S | 93.8 | Very high | 94 | Very high | 61 Ų | 61 | 42.6 Ų | 42.6 | 43% | 0.427 | 21% | 0.213 | S | C | . | . | trans | -110.1 | 164.6 | 172.8 | 76.3 | 0 | 0 | 0 | 0 | 111 | H457 S458 | S455-H457 PolarHBondContact O-N 3.44Å; S455-H457 VanDerWaalsContact O-N 3.11Å; S455-S458 PolarHBondContact N-OG 2.84Å; S455-S458 PolarHBondContact O-N 3.13Å; S455-S458 PolarHBondContact O-OG 3.38Å; S455-S458 PolarHBondContact OG-N 3.09Å | ||
| 456 | W | 89.5 | Confident | 93.9 | Very high | 12 Ų | 12 | 43.4 Ų | 43.4 | 5% | 0.045 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -36.5 | 178.2 | -168.5 | -91.6 | 0 | 0 | 0 | 112.8 | K388 M389 P391 R427 L430 | K388-W456 HydrophobicContact CB-CZ2 4.37Å; K388-W456 VanDerWaalsContact O-CZ2 3.3Å; K388-W456 WeakPolarHBondContact O-CZ2 3.42Å; K388-W456 PolarHBondContact O-NE1 3.46Å; M389-W456 PolarHBondContact O-NE1 3.29Å; P391-W456 HydrophobicContact CB-CE3 3.81Å; P391-W456 HydrophobicContact CB-CZ3 3.8Å; P391-W456 HydrophobicContact CG-CE3 4.17Å; R427-W456 HydrophobicContact CB-CE3 4.35Å; R427-W456 HydrophobicContact CB-CH2 4.09Å; R427-W456 HydrophobicContact CB-CZ2 4.47Å; R427-W456 HydrophobicContact CB-CZ3 4.04Å; R427-W456 HydrophobicContact CG-CD2 4.21Å; R427-W456 HydrophobicContact CG-CE3 4.27Å; R427-W456 HydrophobicContact CG-CH2 4.4Å; R427-W456 HydrophobicContact CG-CZ2 4.32Å; R427-W456 HydrophobicContact CG-CZ3 4.38Å; R427-W456 WeakPolarHBondContact O-CZ3 3.46Å; L430-W456 HydrophobicContact CB-CE3 3.95Å; L430-W456 HydrophobicContact CB-CZ3 4.3Å; L430-W456 HydrophobicContact CD1-CB 4.16Å; L430-W456 HydrophobicContact CD1-CE3 4.24Å |
| 457 | H | 89 | Confident | 93.7 | Very high | 55 Ų | 55 | 44.8 Ų | 44.8 | 26% | 0.255 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -19.3 | -176.6 | -58.8 | 89.4 | 0 | 0 | 0 | 113.2 | Y248 S455 V459 I460 | Y248-H457 AromaticContact CD1-CE1 3.58Å; Y248-H457 AromaticContact CD1-NE2 3.47Å; Y248-H457 WeakPolarHBondContact CD1-NE2 3.34Å; Y248-H457 AromaticContact CE1-CE1 3.93Å; Y248-H457 AromaticContact CG-NE2 3.54Å; S455-H457 PolarHBondContact O-N 3.44Å; S455-H457 VanDerWaalsContact O-N 3.11Å; H457-V459 PolarHBondContact O-N 3.36Å; H457-V459 VanDerWaalsContact O-N 3.14Å; H457-I460 HydrophobicContact CB-CD1 3.89Å; H457-I460 WeakPolarHBondContact O-CG1 3.28Å; H457-I460 PolarHBondContact O-N 2.95Å |
| 458 | S | 91.2 | Very high | 93.7 | Very high | 43 Ų | 43 | 44.4 Ų | 44.4 | 30% | 0.301 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.9 | -177.7 | 66.1 | 0 | 0 | 0 | 0 | 114.5 | M454 S455 W462 | M454-S458 WeakPolarHBondContact CE-OG 3.33Å; S455-S458 PolarHBondContact N-OG 2.84Å; S455-S458 PolarHBondContact O-N 3.13Å; S455-S458 PolarHBondContact O-OG 3.38Å; S455-S458 PolarHBondContact OG-N 3.09Å; S458-W462 PolarHBondContact O-NE1 2.91Å |
| 459 | V | 92.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 16.8 | -177 | -63.9 | 0 | 0 | 0 | 0 | 113.6 | R423 V426 R427 M454 H457 W462 | R423-V459 HydrophobicContact CB-CB 3.98Å; R423-V459 HydrophobicContact CB-CG2 4.28Å; R423-V459 WeakPolarHBondContact CD-O 3.17Å; R423-V459 HydrophobicContact CG-CB 3.91Å; R423-V459 HydrophobicContact CG-CG2 3.8Å; R423-V459 WeakPolarHBondContact CG-O 3.28Å; V426-V459 HydrophobicContact CB-CG1 4.11Å; V426-V459 HydrophobicContact CB-CG2 4.27Å; V426-V459 HydrophobicContact CG1-CG1 4.06Å; V426-V459 HydrophobicContact CG1-CG2 4.03Å; V426-V459 HydrophobicContact CG2-CG1 4.1Å; R427-V459 HydrophobicContact CG-CG2 4.22Å; M454-V459 HydrophobicContact CE-CG1 3.54Å; H457-V459 PolarHBondContact O-N 3.36Å; H457-V459 VanDerWaalsContact O-N 3.14Å; V459-W462 HydrophobicContact CB-CD2 4.2Å; V459-W462 HydrophobicContact CB-CG 4.28Å; V459-W462 HydrophobicContact CG1-CD2 4.2Å; V459-W462 HydrophobicContact CG1-CE3 4.32Å; V459-W462 HydrophobicContact CG1-CZ2 4.45Å |
| 460 | I | 88.2 | Confident | 93.7 | Very high | 35 Ų | 35 | 42 Ų | 42 | 18% | 0.179 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 138 | 175.2 | -73 | 170.9 | 0 | 0 | 0 | 110.2 | Q250 H457 W462 | Q250-I460 HydrophobicContact CG-CD1 4.12Å; H457-I460 HydrophobicContact CB-CD1 3.89Å; H457-I460 WeakPolarHBondContact O-CG1 3.28Å; H457-I460 PolarHBondContact O-N 2.95Å; I460-W462 VanDerWaalsContact O-CD1 3.23Å; I460-W462 PolarHBondContact O-N 3.27Å |
| 461 | D | 86.9 | Confident | 93.7 | Very high | 68 Ų | 68 | 38.8 Ų | 38.8 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 16.1 | 177.9 | -57.4 | -27.8 | 0 | 0 | 0 | 115.1 | E219 Y465 | E219-D461 WeakPolarHBondContact OE1-CA 3.29Å; E219-D461 PolarHBondContact OE1-N 3.17Å; E219-D461 PolarHBondContact OE2-N 3.17Å; D461-Y465 WeakPolarHBondContact O-CD2 3.49Å; D461-Y465 WeakPolarHBondContact O-CE2 3.42Å |
| 462 | W | 93.5 | Very high | 93.6 | Very high | 35 Ų | 35 | 38.7 Ų | 38.7 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | trans | -75.5 | -24.9 | 178.6 | -78.4 | 34.9 | 0 | 0 | 0 | 112.7 | E219 N419 V422 R423 M454 S458 V459 I460 R464 Y465 F469 L470 | E219-W462 PolarHBondContact OE1-N 3.41Å; N419-W462 HydrophobicContact CB-CB 4.21Å; N419-W462 HydrophobicContact CB-CE3 4.31Å; N419-W462 WeakPolarHBondContact CB-O 3.49Å; V422-W462 HydrophobicContact CB-CE3 4.43Å; V422-W462 HydrophobicContact CB-CZ3 4.34Å; V422-W462 HydrophobicContact CG1-CE3 4.15Å; V422-W462 HydrophobicContact CG1-CZ3 3.72Å; R423-W462 HydrophobicContact CB-CB 4.04Å; M454-W462 HydrophobicContact CE-CH2 4.11Å; M454-W462 HydrophobicContact CE-CZ2 4.36Å; S458-W462 PolarHBondContact O-NE1 2.91Å; V459-W462 HydrophobicContact CB-CD2 4.2Å; V459-W462 HydrophobicContact CB-CG 4.28Å; V459-W462 HydrophobicContact CG1-CD2 4.2Å; V459-W462 HydrophobicContact CG1-CE3 4.32Å; V459-W462 HydrophobicContact CG1-CZ2 4.45Å; I460-W462 VanDerWaalsContact O-CD1 3.23Å; I460-W462 PolarHBondContact O-N 3.27Å; W462-R464 VanDerWaalsContact C-N 3.3Å; W462-R464 PolarHBondContact O-N 3.04Å; W462-Y465 PolarHBondContact O-N 2.8Å; W462-F469 HydrophobicContact CB-CE2 4.43Å; W462-F469 AromaticContact CD1-CD2 3.92Å; W462-F469 AromaticContact CD1-CE2 3.87Å; W462-F469 AromaticContact CD2-CD2 3.49Å; W462-F469 HydrophobicContact CD2-CD2 3.49Å; W462-F469 VanDerWaalsContact CD2-CD2 3.49Å; W462-F469 HydrophobicContact CD2-CE2 4.14Å; W462-F469 AromaticContact CE2-CD2 3.55Å; W462-F469 HydrophobicContact CE3-CB 4.3Å; W462-F469 AromaticContact CE3-CD2 3.85Å; W462-F469 HydrophobicContact CE3-CD2 3.85Å; W462-F469 AromaticContact CG-CD2 3.77Å; W462-F469 HydrophobicContact CG-CD2 3.77Å; W462-F469 AromaticContact CG-CE2 3.92Å; W462-F469 HydrophobicContact CG-CE2 3.92Å; W462-F469 HydrophobicContact CH2-CB 3.73Å; W462-F469 HydrophobicContact CH2-CD2 4.31Å; W462-F469 HydrophobicContact CZ2-CB 4.06Å; W462-F469 AromaticContact CZ2-CD2 4Å; W462-F469 HydrophobicContact CZ2-CD2 4Å; W462-F469 HydrophobicContact CZ3-CB 3.85Å; W462-F469 HydrophobicContact CZ3-CD2 4.23Å; W462-F469 AromaticContact NE1-CD2 3.84Å; W462-L470 HydrophobicContact CH2-CD2 3.78Å; W462-L470 HydrophobicContact CZ3-CD2 4.04Å; W462-L470 HydrophobicContact CZ3-CG 4.3Å | ||
| 463 | T | 92.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -35.8 | -168.6 | -53.4 | 0 | 0 | 0 | 0 | 112.8 | V217 E219 A420 R423 R676 | V217-T463 WeakPolarHBondContact O-CG2 3.21Å; E219-T463 VanDerWaalsContact CD-OG1 3.26Å; E219-T463 WeakPolarHBondContact CG-OG1 3.26Å; E219-T463 WeakPolarHBondContact OE1-CB 3.37Å; E219-T463 PolarHBondContact OE1-N 2.94Å; E219-T463 PolarHBondContact OE1-OG1 2.8Å; A420-T463 HydrophobicContact CB-CG2 3.91Å; R423-T463 WeakPolarHBondContact CD-OG1 3.4Å; R423-T463 PolarHBondContact NE-OG1 3.06Å; T463-R676 HydrophobicContact CG2-CB 4Å; T463-R676 HydrophobicContact CG2-CG 4.08Å |
| 464 | R | 91.5 | Very high | 93.4 | Very high | 33 Ų | 33 | 40.9 Ų | 40.9 | 13% | 0.125 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -34 | -173.4 | 69.1 | 178.8 | 178.4 | -173.9 | -5.5 | 114.6 | W462 N670 A671 | W462-R464 VanDerWaalsContact C-N 3.3Å; W462-R464 PolarHBondContact O-N 3.04Å; R464-N670 WeakPolarHBondContact O-CA 3.3Å; R464-N670 WeakPolarHBondContact O-CB 3.17Å; R464-A671 PolarHBondContact O-N 3.35Å; R464-A671 VanDerWaalsContact O-N 3.11Å |
| 465 | Y | 93.3 | Very high | 93.3 | Very high | 84 Ų | 84 | 41 Ų | 41 | 33% | 0.329 | 22% | 0.222 | S | C | . | . | B | Isolated β-bridge | trans | -80.3 | 133.6 | -166.2 | -67.1 | -75.2 | 0 | 0 | 0 | 111.6 | N419 D461 W462 F469 | N419-Y465 PolarHBondContact ND2-O 3.23Å; D461-Y465 WeakPolarHBondContact O-CD2 3.49Å; D461-Y465 WeakPolarHBondContact O-CE2 3.42Å; W462-Y465 PolarHBondContact O-N 2.8Å; Y465-F469 HydrophobicContact CD1-CZ 4.46Å; Y465-F469 AromaticContact CD2-CE2 3.94Å; Y465-F469 HydrophobicContact CD2-CE2 3.94Å; Y465-F469 AromaticContact CD2-CZ 3.52Å; Y465-F469 HydrophobicContact CD2-CZ 3.52Å; Y465-F469 HydrophobicContact CE2-CZ 4.19Å; Y465-F469 HydrophobicContact CG-CE1 4.46Å; Y465-F469 HydrophobicContact CG-CE2 4.39Å; Y465-F469 AromaticContact CG-CZ 3.65Å; Y465-F469 HydrophobicContact CG-CZ 3.65Å |
| 466 | G | 93.3 | Very high | 93.5 | Very high | 18 Ų | 18 | 39.9 Ų | 39.9 | 19% | 0.186 | 21% | 0.211 | C | C | . | . | trans | -71.7 | -174.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N419 G669 | N419-G466 PolarHBondContact ND2-O 2.93Å; G466-G669 WeakPolarHBondContact CA-O 3.28Å; G466-G669 PolarHBondContact N-O 3.39Å | ||
| 467 | G | 94.5 | Very high | 93.8 | Very high | 29 Ų | 29 | 39.3 Ų | 39.3 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | S | Bend | trans | 70.3 | -154.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N419 | N419-G467 PolarHBondContact ND2-O 2.97Š|
| 468 | S | 96.8 | Very high | 94.2 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 18% | 0.175 | 22% | 0.219 | C | C | . | . | trans | -140.3 | 114.3 | -179.4 | 175.5 | 0 | 0 | 0 | 0 | 111 | N410 N419 L470 G471 | N410-S468 PolarHBondContact ND2-OG 3.22Å; N419-S468 WeakPolarHBondContact OD1-CA 3.31Å; S468-L470 VanDerWaalsContact C-N 3.26Å; S468-L470 PolarHBondContact O-N 2.92Å; S468-L470 PolarHBondContact OG-N 3.32Å; S468-G471 PolarHBondContact O-N 2.78Å; S468-G471 VanDerWaalsContact O-N 3.13Å; S468-G471 PolarHBondContact OG-N 2.92Å; S468-G471 PolarHBondContact OG-O 2.9Å | ||
| 469 | F | 96.9 | Very high | 94.4 | Very high | 97 Ų | 97 | 42.6 Ų | 42.6 | 43% | 0.425 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -20.7 | 173.6 | -67.7 | -22.6 | 0 | 0 | 0 | 113.7 | N419 W462 Y465 | N419-F469 PolarHBondContact OD1-N 3.26Å; W462-F469 HydrophobicContact CB-CE2 4.43Å; W462-F469 AromaticContact CD1-CD2 3.92Å; W462-F469 AromaticContact CD1-CE2 3.87Å; W462-F469 AromaticContact CD2-CD2 3.49Å; W462-F469 HydrophobicContact CD2-CD2 3.49Å; W462-F469 VanDerWaalsContact CD2-CD2 3.49Å; W462-F469 HydrophobicContact CD2-CE2 4.14Å; W462-F469 AromaticContact CE2-CD2 3.55Å; W462-F469 HydrophobicContact CE3-CB 4.3Å; W462-F469 AromaticContact CE3-CD2 3.85Å; W462-F469 HydrophobicContact CE3-CD2 3.85Å; W462-F469 AromaticContact CG-CD2 3.77Å; W462-F469 HydrophobicContact CG-CD2 3.77Å; W462-F469 AromaticContact CG-CE2 3.92Å; W462-F469 HydrophobicContact CG-CE2 3.92Å; W462-F469 HydrophobicContact CH2-CB 3.73Å; W462-F469 HydrophobicContact CH2-CD2 4.31Å; W462-F469 HydrophobicContact CZ2-CB 4.06Å; W462-F469 AromaticContact CZ2-CD2 4Å; W462-F469 HydrophobicContact CZ2-CD2 4Å; W462-F469 HydrophobicContact CZ3-CB 3.85Å; W462-F469 HydrophobicContact CZ3-CD2 4.23Å; W462-F469 AromaticContact NE1-CD2 3.84Å; Y465-F469 HydrophobicContact CD1-CZ 4.46Å; Y465-F469 AromaticContact CD2-CE2 3.94Å; Y465-F469 HydrophobicContact CD2-CE2 3.94Å; Y465-F469 AromaticContact CD2-CZ 3.52Å; Y465-F469 HydrophobicContact CD2-CZ 3.52Å; Y465-F469 HydrophobicContact CE2-CZ 4.19Å; Y465-F469 HydrophobicContact CG-CE1 4.46Å; Y465-F469 HydrophobicContact CG-CE2 4.39Å; Y465-F469 AromaticContact CG-CZ 3.65Å; Y465-F469 HydrophobicContact CG-CZ 3.65Å |
| 470 | L | 97.1 | Very high | 94.6 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -7.1 | 171.4 | -58.2 | -169.1 | 0 | 0 | 0 | 112.3 | V408 V422 A438 K440 D441 W462 S468 | V408-L470 HydrophobicContact CG1-CD1 4.48Å; V422-L470 HydrophobicContact CG1-CD1 3.92Å; V422-L470 HydrophobicContact CG1-CG 4.42Å; V422-L470 HydrophobicContact CG2-CD1 3.94Å; A438-L470 HydrophobicContact CB-CD1 4Å; A438-L470 HydrophobicContact CB-CD2 3.63Å; A438-L470 HydrophobicContact CB-CG 4.49Å; K440-L470 CarbonylContact C-O 3.57Å; K440-L470 WeakPolarHBondContact CA-O 3.19Å; D441-L470 PolarHBondContact N-O 2.57Å; W462-L470 HydrophobicContact CH2-CD2 3.78Å; W462-L470 HydrophobicContact CZ3-CD2 4.04Å; W462-L470 HydrophobicContact CZ3-CG 4.3Å; S468-L470 VanDerWaalsContact C-N 3.26Å; S468-L470 PolarHBondContact O-N 2.92Å; S468-L470 PolarHBondContact OG-N 3.32Å |
| 471 | G | 96.6 | Very high | 95 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 21% | 0.206 | 24% | 0.242 | C | C | . | . | trans | 74 | 154.7 | -160.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S468 | S468-G471 PolarHBondContact O-N 2.78Å; S468-G471 VanDerWaalsContact O-N 3.13Å; S468-G471 PolarHBondContact OG-N 2.92Å; S468-G471 PolarHBondContact OG-O 2.9Å | ||
| 472 | S | 95.9 | Very high | 95.6 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 11% | 0.112 | 25% | 0.248 | C | C | . | . | trans | -147.5 | 121.7 | 177.7 | -169.5 | 0 | 0 | 0 | 0 | 108.7 | G412 | G412-S472 CarbonylContact O-C 3.58Å; G412-S472 WeakPolarHBondContact O-CB 3.38Å; G412-S472 PolarHBondContact O-OG 3.24Å | ||
| 473 | Q | 95.9 | Very high | 95.8 | Very high | 83 Ų | 83 | 44.5 Ų | 44.5 | 39% | 0.388 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | -126.5 | 153.8 | -177.3 | -59.7 | -63.1 | -20.3 | 0 | 0 | 110.1 | G412 S442 S475 | G412-Q473 PolarHBondContact N-O 3.42Å; S442-Q473 PolarHBondContact OG-N 2.99Å; S442-Q473 PolarHBondContact OG-O 2.75Å; Q473-S475 PolarHBondContact O-N 3.47Å |
| 474 | K | 95.1 | Very high | 96 | Very high | 120 Ų | 120 | 44.4 Ų | 44.4 | 52% | 0.522 | 25% | 0.246 | S | C | . | . | trans | -80.7 | 12.2 | 175.6 | -64.1 | -176.7 | 176.5 | -177.5 | 0 | 113.7 | S413 E503 | S413-K474 WeakPolarHBondContact OG-CE 3.4Å; K474-E503 HydrophobicContact CB-CG 4.07Å; K474-E503 HydrophobicContact CG-CG 4.35Å | ||
| 475 | S | 94.7 | Very high | 96.3 | Very high | 21 Ų | 21 | 43 Ų | 43 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | trans | -66.1 | 139.8 | 180 | 56.2 | 0 | 0 | 0 | 0 | 111.4 | F443 Q473 | F443-S475 VanDerWaalsContact CD2-O 3.27Å; F443-S475 WeakPolarHBondContact CD2-O 3.15Å; F443-S475 PolarHBondContact N-OG 3.1Å; Q473-S475 PolarHBondContact O-N 3.47Å | ||
| 476 | L | 96.9 | Very high | 96.6 | Very high | 37 Ų | 37 | 44.9 Ų | 44.9 | 19% | 0.194 | 25% | 0.253 | C | S | . | . | trans | -105.6 | 156.4 | 174.2 | -65.5 | 176.1 | 0 | 0 | 0 | 110.8 | S478 M479 E503 H506 A507 | L476-S478 WeakPolarHBondContact CB-OG 3.38Å; L476-S478 PolarHBondContact O-N 2.81Å; L476-M479 WeakPolarHBondContact O-CG 3.47Å; L476-M479 PolarHBondContact O-N 2.94Å; L476-E503 HydrophobicContact CD2-CB 4.28Å; L476-E503 WeakPolarHBondContact CD2-O 3.4Å; L476-H506 HydrophobicContact CD2-CB 4.26Å; L476-A507 HydrophobicContact CD2-CB 4.07Å | ||
| 477 | P | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -62.4 | -28.1 | 178.3 | 18.8 | -25.2 | 0 | 0 | 0 | 113.1 | F443 M479 N480 M481 V484 A507 E510 L511 | F443-P477 HydrophobicContact CD1-CB 3.76Å; F443-P477 HydrophobicContact CD1-CG 4.36Å; F443-P477 HydrophobicContact CE1-CB 3.65Å; F443-P477 HydrophobicContact CE1-CG 3.93Å; F443-P477 HydrophobicContact CE2-CG 4.43Å; F443-P477 HydrophobicContact CG-CB 4.4Å; F443-P477 HydrophobicContact CZ-CB 4.2Å; F443-P477 HydrophobicContact CZ-CG 3.96Å; P477-M479 PolarHBondContact O-N 3.24Å; P477-N480 CarbonylContact O-C 3.58Å; P477-N480 PolarHBondContact O-N 2.51Å; P477-N480 VanDerWaalsContact O-N 3.08Å; P477-M481 HydrophobicContact CB-CE 4.45Å; P477-M481 HydrophobicContact CB-SD 4.38Å; P477-M481 PolarHBondContact O-N 2.96Å; P477-V484 HydrophobicContact CB-CG2 4.35Å; P477-A507 HydrophobicContact CG-CB 4.08Å; P477-E510 WeakPolarHBondContact CD-OE2 3.33Å; P477-E510 HydrophobicContact CG-CB 3.91Å; P477-E510 VanDerWaalsContact CG-OE2 3.26Å; P477-E510 WeakPolarHBondContact CG-OE2 3.49Å; P477-L511 HydrophobicContact CB-CD2 3.83Å; P477-L511 HydrophobicContact CB-CG 4.32Å; P477-L511 HydrophobicContact CG-CD2 4.03Å; P477-L511 HydrophobicContact CG-CG 3.96Å |
| 478 | S | 96.3 | Very high | 96.9 | Very high | 67 Ų | 67 | 43.5 Ų | 43.5 | 47% | 0.469 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -53 | -19.3 | 173.7 | 49 | 0 | 0 | 0 | 0 | 115 | L476 N480 E510 | L476-S478 WeakPolarHBondContact CB-OG 3.38Å; L476-S478 PolarHBondContact O-N 2.81Å; S478-N480 VanDerWaalsContact C-N 3.26Å; S478-N480 PolarHBondContact O-N 3.23Å; S478-E510 WeakPolarHBondContact CB-OE1 3.2Å; S478-E510 WeakPolarHBondContact CB-OE2 3.21Å; S478-E510 PolarHBondContact N-OE2 3.12Å; S478-E510 VanDerWaalsContact OG-CD 3.32Å; S478-E510 PolarHBondContact OG-OE1 3Å; S478-E510 PolarHBondContact OG-OE2 3.48Å |
| 479 | M | 95.9 | Very high | 97 | Very high | 99 Ų | 99 | 43.8 Ų | 43.8 | 49% | 0.488 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -61.2 | -32.6 | 175.1 | 74.2 | -176.8 | -70.6 | 0 | 0 | 113.5 | F443 Q444 I447 L476 P477 | F443-M479 HydrophobicContact CB-SD 4.31Å; Q444-M479 HydrophobicContact CB-CE 4.43Å; Q444-M479 HydrophobicContact CG-CE 4.31Å; I447-M479 HydrophobicContact CD1-CE 3.91Å; I447-M479 HydrophobicContact CD1-CG 3.34Å; I447-M479 HydrophobicContact CD1-SD 3.52Å; I447-M479 VanDerWaalsContact CD1-SD 3.52Å; L476-M479 WeakPolarHBondContact O-CG 3.47Å; L476-M479 PolarHBondContact O-N 2.94Å; P477-M479 PolarHBondContact O-N 3.24Å |
| 480 | N | 97.2 | Very high | 97 | Very high | 69 Ų | 69 | 47.7 Ų | 47.7 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | trans | -165.9 | 76.4 | 172.5 | -167.5 | -25.5 | 0 | 0 | 0 | 110.3 | I447 P477 S478 P482 A483 V484 | I447-N480 HydrophobicContact CD1-CB 3.83Å; I447-N480 HydrophobicContact CG1-CB 4.36Å; P477-N480 CarbonylContact O-C 3.58Å; P477-N480 PolarHBondContact O-N 2.51Å; P477-N480 VanDerWaalsContact O-N 3.08Å; S478-N480 VanDerWaalsContact C-N 3.26Å; S478-N480 PolarHBondContact O-N 3.23Å; N480-P482 WeakPolarHBondContact OD1-CD 3.29Å; N480-A483 HydrophobicContact CB-CB 4.18Å; N480-A483 VanDerWaalsContact CG-CB 3.48Å; N480-A483 PolarHBondContact O-N 3.48Å; N480-A483 WeakPolarHBondContact OD1-CB 3.29Å; N480-A483 PolarHBondContact OD1-N 3.4Å; N480-A483 VanDerWaalsContact OD1-N 3.13Å; N480-V484 WeakPolarHBondContact O-CG2 3.07Å; N480-V484 PolarHBondContact O-N 3.28Å; N480-V484 VanDerWaalsContact O-N 3.11Å | ||
| 481 | M | 97.2 | Very high | 97 | Very high | 22 Ų | 22 | 50 Ų | 50 | 11% | 0.108 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -51.6 | -47.7 | 179.2 | -82.9 | -85.5 | -166.3 | 0 | 0 | 113.8 | P477 A483 V484 A485 E510 N514 F518 F521 | P477-M481 HydrophobicContact CB-CE 4.45Å; P477-M481 HydrophobicContact CB-SD 4.38Å; P477-M481 PolarHBondContact O-N 2.96Å; M481-A483 PolarHBondContact O-N 3.42Å; M481-V484 WeakPolarHBondContact O-CB 3.41Å; M481-V484 PolarHBondContact O-N 3.09Å; M481-V484 VanDerWaalsContact O-N 3.16Å; M481-A485 PolarHBondContact O-N 3Å; M481-E510 HydrophobicContact CE-CB 3.89Å; M481-E510 WeakPolarHBondContact CE-O 3.47Å; M481-N514 HydrophobicContact CE-CB 3.86Å; M481-N514 WeakPolarHBondContact CE-ND2 3.42Å; M481-N514 HydrophobicContact SD-CB 4.08Å; M481-F518 HydrophobicContact CB-CE2 3.85Å; M481-F518 HydrophobicContact CB-CZ 4Å; M481-F521 HydrophobicContact SD-CD2 4.46Å; M481-F521 HydrophobicContact SD-CE2 3.37Å; M481-F521 WeakPolarHBondContact SD-CE2 3.39Å; M481-F521 HydrophobicContact SD-CZ 3.7Å |
| 482 | P | 98.1 | Very high | 97 | Very high | 76 Ų | 76 | 56.4 Ų | 56.4 | 49% | 0.494 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58 | -43.4 | 178.9 | -26.4 | 34.7 | 0 | 0 | 0 | 113.6 | N480 V484 A485 E486 F518 | N480-P482 WeakPolarHBondContact OD1-CD 3.29Å; P482-V484 VanDerWaalsContact C-N 3.34Å; P482-A485 PolarHBondContact O-N 3.38Å; P482-E486 WeakPolarHBondContact O-CB 3.47Å; P482-E486 PolarHBondContact O-N 3.29Å; P482-F518 HydrophobicContact CB-CE1 4.25Å; P482-F518 HydrophobicContact CG-CE1 4.18Å; P482-F518 HydrophobicContact CG-CZ 4.06Å |
| 483 | A | 97.9 | Very high | 97.1 | Very high | 11 Ų | 11 | 56.1 Ų | 56.1 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.6 | -32.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | I447 N480 M481 Q487 | I447-A483 HydrophobicContact CB-CB 4.42Å; I447-A483 HydrophobicContact CG1-CB 4.2Å; I447-A483 HydrophobicContact CG2-CB 3.86Å; N480-A483 HydrophobicContact CB-CB 4.18Å; N480-A483 VanDerWaalsContact CG-CB 3.48Å; N480-A483 PolarHBondContact O-N 3.48Å; N480-A483 WeakPolarHBondContact OD1-CB 3.29Å; N480-A483 PolarHBondContact OD1-N 3.4Å; N480-A483 VanDerWaalsContact OD1-N 3.13Å; M481-A483 PolarHBondContact O-N 3.42Å; A483-Q487 VanDerWaalsContact O-CG 3.23Å; A483-Q487 WeakPolarHBondContact O-CG 3.5Å; A483-Q487 PolarHBondContact O-N 3.27Å; A483-Q487 VanDerWaalsContact O-N 3.13Å |
| 484 | V | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -49.5 | 172.3 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | F443 L446 I447 P477 N480 M481 P482 E486 Q487 L488 L511 F521 | F443-V484 HydrophobicContact CD1-CG1 4.3Å; F443-V484 HydrophobicContact CD1-CG2 4.08Å; F443-V484 HydrophobicContact CE1-CG1 4.35Å; L446-V484 HydrophobicContact CD2-CG1 3.81Å; I447-V484 HydrophobicContact CD1-CG2 4.14Å; I447-V484 HydrophobicContact CG1-CG2 3.74Å; P477-V484 HydrophobicContact CB-CG2 4.35Å; N480-V484 WeakPolarHBondContact O-CG2 3.07Å; N480-V484 PolarHBondContact O-N 3.28Å; N480-V484 VanDerWaalsContact O-N 3.11Å; M481-V484 WeakPolarHBondContact O-CB 3.41Å; M481-V484 PolarHBondContact O-N 3.09Å; M481-V484 VanDerWaalsContact O-N 3.16Å; P482-V484 VanDerWaalsContact C-N 3.34Å; V484-E486 PolarHBondContact O-N 2.86Å; V484-Q487 PolarHBondContact O-N 3.12Å; V484-L488 HydrophobicContact CG1-CD1 4.21Å; V484-L488 WeakPolarHBondContact O-CG 3.29Å; V484-L488 PolarHBondContact O-N 3.07Å; V484-L511 HydrophobicContact CG1-CD2 4.21Å; V484-F521 HydrophobicContact CG1-CE1 3.94Å; V484-F521 HydrophobicContact CG1-CZ 4.3Å |
| 485 | A | 98.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.7 | -46.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M481 P482 Q487 L488 G489 F518 E520 F521 | M481-A485 PolarHBondContact O-N 3Å; P482-A485 PolarHBondContact O-N 3.38Å; A485-Q487 VanDerWaalsContact C-N 3.3Å; A485-Q487 PolarHBondContact O-N 2.99Å; A485-L488 PolarHBondContact O-N 3.25Å; A485-G489 PolarHBondContact O-N 2.94Å; A485-F518 HydrophobicContact CB-CB 3.85Å; A485-F518 HydrophobicContact CB-CD1 3.51Å; A485-F518 HydrophobicContact CB-CE1 4.31Å; A485-F518 HydrophobicContact CB-CG 3.84Å; A485-E520 HydrophobicContact CB-CB 4.26Å; A485-E520 WeakPolarHBondContact O-CG 2.92Å; A485-F521 HydrophobicContact CB-CE1 3.78Å; A485-F521 HydrophobicContact CB-CZ 3.87Å |
| 486 | E | 98 | Very high | 97.5 | Very high | 124 Ų | 124 | 46.4 Ų | 46.4 | 58% | 0.579 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -53.8 | -46.6 | 177.5 | -174.3 | -167.8 | 170.9 | 0 | 0 | 111.7 | P482 V484 G489 R490 | P482-E486 WeakPolarHBondContact O-CB 3.47Å; P482-E486 PolarHBondContact O-N 3.29Å; V484-E486 PolarHBondContact O-N 2.86Å; E486-G489 PolarHBondContact O-N 2.94Å; E486-R490 WeakPolarHBondContact O-CB 3.49Å; E486-R490 PolarHBondContact O-N 2.96Å |
| 487 | Q | 98.1 | Very high | 97.6 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.065 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -73 | -39.2 | -177.2 | -63 | -67.2 | -21 | 0 | 0 | 111.9 | L446 A483 V484 A485 G489 R490 Y491 | L446-Q487 HydrophobicContact CD1-CB 3.87Å; L446-Q487 HydrophobicContact CG-CB 4.45Å; L446-Q487 VanDerWaalsContact O-CG 3.31Å; L446-Q487 WeakPolarHBondContact O-CG 3.19Å; A483-Q487 VanDerWaalsContact O-CG 3.23Å; A483-Q487 WeakPolarHBondContact O-CG 3.5Å; A483-Q487 PolarHBondContact O-N 3.27Å; A483-Q487 VanDerWaalsContact O-N 3.13Å; V484-Q487 PolarHBondContact O-N 3.12Å; A485-Q487 VanDerWaalsContact C-N 3.3Å; A485-Q487 PolarHBondContact O-N 2.99Å; Q487-G489 VanDerWaalsContact C-N 3.3Å; Q487-G489 PolarHBondContact O-N 3.21Å; Q487-R490 PolarHBondContact O-N 3.38Å; Q487-Y491 WeakPolarHBondContact O-CD2 3.38Å; Q487-Y491 PolarHBondContact O-N 3.29Å; Q487-Y491 VanDerWaalsContact O-N 3.13Å |
| 488 | L | 97.9 | Very high | 97.7 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 172.6 | -68.2 | 179.1 | 0 | 0 | 0 | 111.4 | L446 V484 A485 K492 I493 E520 F521 | L446-L488 HydrophobicContact CD2-CD2 4.33Å; V484-L488 HydrophobicContact CG1-CD1 4.21Å; V484-L488 WeakPolarHBondContact O-CG 3.29Å; V484-L488 PolarHBondContact O-N 3.07Å; A485-L488 PolarHBondContact O-N 3.25Å; L488-K492 PolarHBondContact O-N 3.47Å; L488-I493 HydrophobicContact CD2-CB 4.05Å; L488-I493 HydrophobicContact CD2-CG1 3.91Å; L488-I493 HydrophobicContact CD2-CG2 4.27Å; L488-I493 PolarHBondContact O-N 3.31Å; L488-E520 HydrophobicContact CB-CB 4.29Å; L488-F521 HydrophobicContact CD1-CD1 3.92Å; L488-F521 HydrophobicContact CD1-CE1 4Å |
| 489 | G | 97.1 | Very high | 97.8 | Very high | 31 Ų | 31 | 41.5 Ų | 41.5 | 32% | 0.32 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.3 | -44.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A485 E486 Q487 Y491 K492 | A485-G489 PolarHBondContact O-N 2.94Å; E486-G489 PolarHBondContact O-N 2.94Å; Q487-G489 VanDerWaalsContact C-N 3.3Å; Q487-G489 PolarHBondContact O-N 3.21Å; G489-Y491 VanDerWaalsContact C-N 3.33Å; G489-Y491 PolarHBondContact O-N 2.93Å; G489-K492 PolarHBondContact O-N 2.77Å |
| 490 | R | 97.3 | Very high | 97.9 | Very high | 178 Ų | 178 | 36.8 Ų | 36.8 | 67% | 0.672 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -58 | -42.5 | 179.1 | -179.4 | 178.3 | 178.6 | 168.6 | 0.1 | 112.7 | E486 Q487 K492 | E486-R490 WeakPolarHBondContact O-CB 3.49Å; E486-R490 PolarHBondContact O-N 2.96Å; Q487-R490 PolarHBondContact O-N 3.38Å; R490-K492 VanDerWaalsContact C-N 3.31Å |
| 491 | Y | 97.1 | Very high | 97.9 | Very high | 56 Ų | 56 | 33.6 Ų | 33.6 | 22% | 0.22 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 1.7 | 177.7 | -71.9 | -94.1 | 0 | 0 | 0 | 113.1 | N405 Y437 G449 L451 Q487 G489 I493 | N405-Y491 PolarHBondContact ND2-O 3.06Å; Y437-Y491 HydrophobicContact CD1-CD1 4.04Å; Y437-Y491 HydrophobicContact CD1-CE1 4.49Å; Y437-Y491 AromaticContact CE1-CD1 3.91Å; Y437-Y491 HydrophobicContact CE1-CD1 3.91Å; Y437-Y491 HydrophobicContact CE1-CE1 4.37Å; G449-Y491 PolarHBondContact O-OH 3.26Å; L451-Y491 HydrophobicContact CB-CD1 4.15Å; L451-Y491 HydrophobicContact CB-CE1 3.81Å; L451-Y491 HydrophobicContact CB-CE2 4.23Å; L451-Y491 HydrophobicContact CB-CG 4.48Å; L451-Y491 HydrophobicContact CD1-CD2 3.94Å; L451-Y491 HydrophobicContact CD1-CE2 3.67Å; L451-Y491 HydrophobicContact CD2-CD1 4.22Å; L451-Y491 HydrophobicContact CD2-CD2 3.91Å; L451-Y491 HydrophobicContact CD2-CE2 4.36Å; L451-Y491 HydrophobicContact CD2-CG 3.84Å; L451-Y491 HydrophobicContact CG-CD2 4.32Å; L451-Y491 HydrophobicContact CG-CE2 4.28Å; Q487-Y491 WeakPolarHBondContact O-CD2 3.38Å; Q487-Y491 PolarHBondContact O-N 3.29Å; Q487-Y491 VanDerWaalsContact O-N 3.13Å; G489-Y491 VanDerWaalsContact C-N 3.33Å; G489-Y491 PolarHBondContact O-N 2.93Å; Y491-I493 VanDerWaalsContact C-N 3.28Å; Y491-I493 PolarHBondContact O-N 2.96Å |
| 492 | K | 96.7 | Very high | 97.9 | Very high | 154 Ų | 154 | 32.8 Ų | 32.8 | 67% | 0.67 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 44 | -179.1 | -56.2 | -176.7 | 177.7 | -172.9 | 0 | 112.4 | N405 L488 G489 R490 N494 | N405-K492 WeakPolarHBondContact CB-O 3.38Å; L488-K492 PolarHBondContact O-N 3.47Å; G489-K492 PolarHBondContact O-N 2.77Å; R490-K492 VanDerWaalsContact C-N 3.31Å; K492-N494 PolarHBondContact O-N 2.97Å; K492-N494 PolarHBondContact O-OD1 3.01Å |
| 493 | I | 98 | Very high | 97.9 | Very high | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.046 | 14% | 0.14 | C | C | . | . | trans | -65.2 | 125.1 | -177.3 | -58.4 | -50.9 | 0 | 0 | 0 | 109.5 | N405 A407 Y437 L451 L488 Y491 A495 I523 | N405-I493 HydrophobicContact CB-CD1 4.36Å; N405-I493 CarbonylContact O-C 3.5Å; A407-I493 HydrophobicContact CB-CD1 3.93Å; A407-I493 HydrophobicContact CB-CG1 4.14Å; A407-I493 HydrophobicContact CB-CG2 3.67Å; Y437-I493 HydrophobicContact CD2-CD1 3.85Å; Y437-I493 HydrophobicContact CG-CD1 4.32Å; L451-I493 HydrophobicContact CD2-CD1 4.48Å; L488-I493 HydrophobicContact CD2-CB 4.05Å; L488-I493 HydrophobicContact CD2-CG1 3.91Å; L488-I493 HydrophobicContact CD2-CG2 4.27Å; L488-I493 PolarHBondContact O-N 3.31Å; Y491-I493 VanDerWaalsContact C-N 3.28Å; Y491-I493 PolarHBondContact O-N 2.96Å; I493-A495 WeakPolarHBondContact CG2-O 3.22Å; I493-I523 HydrophobicContact CG2-CD1 3.98Å | ||
| 494 | N | 97.9 | Very high | 97.9 | Very high | 20 Ų | 20 | 29.5 Ų | 29.5 | 11% | 0.107 | 14% | 0.136 | C | C | . | . | trans | -100 | -20.8 | -178.3 | -62.4 | 120.5 | 0 | 0 | 0 | 113.4 | F404 N405 K492 I523 P524 V704 | F404-N494 WeakPolarHBondContact CA-OD1 3.38Å; F404-N494 HydrophobicContact CB-CB 4.1Å; F404-N494 HydrophobicContact CD1-CB 4.18Å; N405-N494 PolarHBondContact N-OD1 3.41Å; N405-N494 PolarHBondContact O-N 3.21Å; K492-N494 PolarHBondContact O-N 2.97Å; K492-N494 PolarHBondContact O-OD1 3.01Å; N494-I523 WeakPolarHBondContact O-CB 3.39Å; N494-P524 WeakPolarHBondContact O-CD 3.45Å; N494-V704 HydrophobicContact CB-CB 4.14Å; N494-V704 HydrophobicContact CB-CG2 3.86Å | ||
| 495 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 151.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L406 A407 I493 P524 L690 | L406-A495 WeakPolarHBondContact CA-O 3.28Å; L406-A495 HydrophobicContact CD2-CB 3.78Å; A407-A495 PolarHBondContact N-O 3.05Å; I493-A495 WeakPolarHBondContact CG2-O 3.22Å; A495-P524 VanDerWaalsContact CA-O 3.25Å; A495-P524 WeakPolarHBondContact CA-O 3.1Å; A495-P524 HydrophobicContact CB-CB 4.29Å; A495-L690 HydrophobicContact CB-CB 4.13Å; A495-L690 HydrophobicContact CB-CD1 4.39Å; A495-L690 HydrophobicContact CB-CD2 4.37Å |
| 496 | L | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.6 | -173.5 | 177.3 | 64.8 | 0 | 0 | 0 | 112.3 | A407 M409 I439 L498 L511 I523 P524 M525 A526 | A407-L496 HydrophobicContact CB-CD1 3.77Å; M409-L496 HydrophobicContact CE-CD1 3.7Å; M409-L496 HydrophobicContact CE-CD2 3.94Å; M409-L496 HydrophobicContact CE-CG 4.34Å; I439-L496 HydrophobicContact CD1-CD1 4.04Å; L496-L498 HydrophobicContact CD2-CG 4.47Å; L496-L498 HydrophobicContact CG-CG 4.44Å; L496-L511 HydrophobicContact CD2-CD1 3.95Å; L496-I523 HydrophobicContact CB-CD1 4.29Å; L496-P524 PolarHBondContact N-O 2.72Å; L496-M525 HydrophobicContact CB-CG 4.2Å; L496-M525 HydrophobicContact CD2-SD 4.43Å; L496-M525 CarbonylContact O-C 3.51Å; L496-M525 VanDerWaalsContact O-CA 3.3Å; L496-M525 WeakPolarHBondContact O-CA 3.46Å; L496-A526 PolarHBondContact O-N 2.97Å |
| 497 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127 | 168.9 | 176.1 | 58.2 | 0 | 0 | 0 | 111.2 | A407 V408 M409 F425 V499 A526 I528 V686 L690 | A407-L497 PolarHBondContact O-N 2.96Å; V408-L497 WeakPolarHBondContact CA-O 3.49Å; V408-L497 HydrophobicContact CB-CB 4.27Å; V408-L497 HydrophobicContact CG2-CB 4.11Å; V408-L497 HydrophobicContact CG2-CD2 3.84Å; V408-L497 HydrophobicContact CG2-CG 3.98Å; M409-L497 PolarHBondContact N-O 3.41Å; F425-L497 HydrophobicContact CB-CD2 3.75Å; F425-L497 HydrophobicContact CD1-CB 4.43Å; F425-L497 HydrophobicContact CD1-CD2 3.93Å; F425-L497 HydrophobicContact CD2-CB 4.32Å; F425-L497 HydrophobicContact CD2-CD2 3.33Å; F425-L497 HydrophobicContact CD2-CG 4.41Å; F425-L497 HydrophobicContact CE1-CB 4.05Å; F425-L497 HydrophobicContact CE1-CD2 4.35Å; F425-L497 HydrophobicContact CE2-CB 3.94Å; F425-L497 HydrophobicContact CE2-CD2 3.82Å; F425-L497 HydrophobicContact CE2-CG 4.47Å; F425-L497 HydrophobicContact CG-CD2 3.38Å; F425-L497 HydrophobicContact CZ-CB 3.78Å; F425-L497 HydrophobicContact CZ-CD2 4.29Å; L497-V499 HydrophobicContact CD1-CG2 4.36Å; L497-V499 HydrophobicContact CD2-CG2 3.95Å; L497-V499 HydrophobicContact CG-CG2 3.92Å; L497-A526 WeakPolarHBondContact CA-O 3.39Å; L497-A526 HydrophobicContact CD1-CB 4.34Å; L497-A526 WeakPolarHBondContact CD1-O 3.48Å; L497-I528 HydrophobicContact CD1-CB 4.47Å; L497-I528 HydrophobicContact CD1-CD1 3.94Å; L497-I528 HydrophobicContact CD1-CG1 3.89Å; L497-I528 HydrophobicContact CD2-CD1 4.11Å; L497-V686 HydrophobicContact CD1-CG1 3.72Å; L497-L690 HydrophobicContact CB-CD1 4.31Å |
| 498 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 117.1 | 171 | -64.2 | 150.1 | 0 | 0 | 0 | 108.8 | M409 V411 F443 L496 A504 C508 A526 V527 I528 | M409-L498 HydrophobicContact CE-CD2 3.87Å; M409-L498 HydrophobicContact CG-CD2 3.74Å; M409-L498 HydrophobicContact SD-CD2 3.87Å; V411-L498 HydrophobicContact CG2-CD2 3.76Å; F443-L498 HydrophobicContact CE2-CD2 4.07Å; F443-L498 HydrophobicContact CZ-CD2 3.82Å; L496-L498 HydrophobicContact CD2-CG 4.47Å; L496-L498 HydrophobicContact CG-CG 4.44Å; L498-A504 HydrophobicContact CB-CB 4.27Å; L498-C508 HydrophobicContact CD1-CB 3.68Å; L498-A526 PolarHBondContact N-O 3.39Å; L498-V527 HydrophobicContact CB-CG2 4.25Å; L498-V527 HydrophobicContact CD1-CG2 4.17Å; L498-V527 CarbonylContact O-C 3.58Å; L498-V527 VanDerWaalsContact O-CA 3.29Å; L498-V527 WeakPolarHBondContact O-CA 3.45Å; L498-I528 PolarHBondContact O-N 3.28Å |
| 499 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 119.8 | 174.5 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | V408 M409 N410 V411 M418 A421 L497 I528 C530 | V408-V499 HydrophobicContact CG2-CG2 4.25Å; M409-V499 PolarHBondContact O-N 2.76Å; N410-V499 CarbonylContact C-O 3.52Å; N410-V499 WeakPolarHBondContact CA-O 3.4Å; N410-V499 WeakPolarHBondContact OD1-CB 3.17Å; V411-V499 PolarHBondContact N-O 3.38Å; M418-V499 HydrophobicContact CG-CG1 4.31Å; A421-V499 HydrophobicContact CB-CG1 4.08Å; A421-V499 HydrophobicContact CB-CG2 4.26Å; L497-V499 HydrophobicContact CD1-CG2 4.36Å; L497-V499 HydrophobicContact CD2-CG2 3.95Å; L497-V499 HydrophobicContact CG-CG2 3.92Å; V499-I528 HydrophobicContact CG1-CG2 4.44Å; V499-I528 HydrophobicContact CG2-CB 4.41Å; V499-C530 HydrophobicContact CG1-CB 3.75Å |
| 500 | G | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.9 | -170.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 117 | V411 I528 P529 C530 | V411-G500 WeakPolarHBondContact O-CA 3.33Å; G500-I528 PolarHBondContact N-O 3.29Å; G500-P529 CarbonylContact O-C 3.5Å; G500-P529 WeakPolarHBondContact O-CA 3.22Å; G500-C530 CarbonylContact C-O 3.6Å; G500-C530 WeakPolarHBondContact CA-O 3.24Å; G500-C530 PolarHBondContact O-N 2.95Å |
| 501 | G | 97.1 | Very high | 98 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 2% | 0.021 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -84 | -150.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V411 E503 A504 Y505 C530 | V411-G501 PolarHBondContact O-N 3.22Å; G501-E503 PolarHBondContact O-N 3.45Å; G501-A504 WeakPolarHBondContact O-CB 3.33Å; G501-A504 PolarHBondContact O-N 2.97Å; G501-Y505 PolarHBondContact O-N 3.45Å; G501-C530 PolarHBondContact N-O 3.26Å; G501-C530 VanDerWaalsContact N-O 3.15Å |
| 502 | F | 97.7 | Very high | 98.1 | Very high | 6 Ų | 6 | 14.2 Ų | 14.2 | 3% | 0.026 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58 | -33.7 | 179.8 | -162.5 | -85.6 | 0 | 0 | 0 | 112.8 | A504 Y505 H506 P537 T734 F736 R739 | F502-A504 VanDerWaalsContact C-N 3.34Å; F502-A504 PolarHBondContact O-N 3.07Å; F502-Y505 HydrophobicContact CD2-CD1 4.38Å; F502-Y505 HydrophobicContact CE2-CD1 4.29Å; F502-Y505 HydrophobicContact CE2-CE1 4.37Å; F502-Y505 HydrophobicContact CZ-CD1 4.44Å; F502-Y505 HydrophobicContact CZ-CE1 4.41Å; F502-Y505 PolarHBondContact O-N 3.43Å; F502-H506 HydrophobicContact CD1-CB 4.48Å; F502-H506 WeakPolarHBondContact O-CB 3.36Å; F502-H506 PolarHBondContact O-N 2.57Å; F502-P537 HydrophobicContact CE2-CG 4.32Å; F502-T734 HydrophobicContact CE2-CG2 3.6Å; F502-T734 HydrophobicContact CZ-CG2 3.43Å; F502-T734 VanDerWaalsContact CZ-CG2 3.43Å; F502-F736 AromaticContact CE1-CD1 3.83Å; F502-F736 HydrophobicContact CE1-CD1 3.83Å; F502-F736 HydrophobicContact CE1-CE1 4.14Å; F502-F736 AromaticContact CZ-CD1 3.84Å; F502-F736 HydrophobicContact CZ-CD1 3.84Å; F502-F736 HydrophobicContact CZ-CE1 4.11Å; F502-F736 HydrophobicContact CZ-CG 4.37Å; F502-R739 HydrophobicContact CB-CB 4.49Å; F502-R739 HydrophobicContact CD1-CB 3.96Å; F502-R739 HydrophobicContact CD1-CG 3.84Å; F502-R739 HydrophobicContact CD2-CB 3.8Å; F502-R739 HydrophobicContact CE1-CB 4.06Å; F502-R739 HydrophobicContact CE1-CG 3.84Å; F502-R739 HydrophobicContact CE2-CB 3.89Å; F502-R739 HydrophobicContact CG-CB 3.83Å; F502-R739 HydrophobicContact CG-CG 4.21Å; F502-R739 HydrophobicContact CZ-CB 4.02Å; F502-R739 HydrophobicContact CZ-CG 4.21Å |
| 503 | E | 97.9 | Very high | 98.1 | Very high | 17 Ų | 17 | 10.8 Ų | 10.8 | 8% | 0.079 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.4 | -35.2 | 175.1 | -69.3 | 83.8 | 175.3 | 0 | 0 | 112.8 | V411 K474 L476 G501 A507 R739 | V411-E503 HydrophobicContact CG1-CB 3.93Å; K474-E503 HydrophobicContact CB-CG 4.07Å; K474-E503 HydrophobicContact CG-CG 4.35Å; L476-E503 HydrophobicContact CD2-CB 4.28Å; L476-E503 WeakPolarHBondContact CD2-O 3.4Å; G501-E503 PolarHBondContact O-N 3.45Å; E503-A507 WeakPolarHBondContact O-CB 3.37Å; E503-A507 PolarHBondContact O-N 3.15Å; E503-R739 IonicContact OE1-CZ 3.07Å; E503-R739 IonicContact OE1-NH1 2.85Å; E503-R739 PolarHBondContact OE1-NH1 3.02Å; E503-R739 IonicContact OE1-NH2 3.75Å; E503-R739 PolarHBondContact OE1-NH2 3.49Å; E503-R739 IonicContact OE2-CZ 2.77Å; E503-R739 IonicContact OE2-NH2 2.58Å; E503-R739 PolarHBondContact OE2-NH2 3.21Å |
| 504 | A | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.5 | -43.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | V411 L498 G501 F502 C508 V527 | V411-A504 HydrophobicContact CB-CB 3.92Å; L498-A504 HydrophobicContact CB-CB 4.27Å; G501-A504 WeakPolarHBondContact O-CB 3.33Å; G501-A504 PolarHBondContact O-N 2.97Å; F502-A504 VanDerWaalsContact C-N 3.34Å; F502-A504 PolarHBondContact O-N 3.07Å; A504-C508 PolarHBondContact O-N 2.9Å; A504-C508 VanDerWaalsContact O-N 3.07Å; A504-V527 HydrophobicContact CB-CG1 4.15Å |
| 505 | Y | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -61.1 | -49.7 | 174 | 163.7 | -116.4 | 0 | 0 | 0 | 111.9 | G501 F502 A507 C508 I509 V536 P537 L714 V727 L730 K731 T734 F736 | G501-Y505 PolarHBondContact O-N 3.45Å; F502-Y505 HydrophobicContact CD2-CD1 4.38Å; F502-Y505 HydrophobicContact CE2-CD1 4.29Å; F502-Y505 HydrophobicContact CE2-CE1 4.37Å; F502-Y505 HydrophobicContact CZ-CD1 4.44Å; F502-Y505 HydrophobicContact CZ-CE1 4.41Å; F502-Y505 PolarHBondContact O-N 3.43Å; Y505-A507 PolarHBondContact O-N 3.28Å; Y505-C508 WeakPolarHBondContact O-CB 3.35Å; Y505-C508 PolarHBondContact O-N 3.42Å; Y505-I509 HydrophobicContact CD1-CD1 4.46Å; Y505-I509 HydrophobicContact CD2-CD1 4.24Å; Y505-I509 HydrophobicContact CE1-CD1 3.87Å; Y505-I509 HydrophobicContact CE2-CD1 3.59Å; Y505-I509 HydrophobicContact CE2-CG1 4.17Å; Y505-I509 PolarHBondContact O-N 3.27Å; Y505-I509 VanDerWaalsContact O-N 3.13Å; Y505-V536 HydrophobicContact CG-CG1 4.49Å; Y505-P537 HydrophobicContact CD1-CG 4.42Å; Y505-P537 HydrophobicContact CE1-CB 4.47Å; Y505-P537 HydrophobicContact CE1-CG 3.85Å; Y505-L714 HydrophobicContact CD2-CD1 3.8Å; Y505-L714 HydrophobicContact CG-CD1 4.31Å; Y505-V727 HydrophobicContact CD2-CB 4.38Å; Y505-V727 HydrophobicContact CD2-CG1 4.28Å; Y505-V727 HydrophobicContact CE2-CB 4.11Å; Y505-V727 HydrophobicContact CE2-CG1 4.42Å; Y505-L730 HydrophobicContact CE2-CB 3.87Å; Y505-L730 HydrophobicContact CE2-CD1 4.23Å; Y505-L730 VanDerWaalsContact OH-CB 3.31Å; Y505-L730 WeakPolarHBondContact OH-CB 3.23Å; Y505-L730 PolarHBondContact OH-O 3.24Å; Y505-K731 WeakPolarHBondContact OH-CA 3.24Å; Y505-K731 PolarHBondContact OH-N 2.95Å; Y505-T734 HydrophobicContact CE1-CG2 4.01Å; Y505-T734 PolarHBondContact OH-OG1 3.21Å; Y505-F736 HydrophobicContact CE1-CE1 4.48Å; Y505-F736 HydrophobicContact CE1-CZ 4.3Å |
| 506 | H | 98 | Very high | 98 | Very high | 54 Ų | 54 | 18.6 Ų | 18.6 | 25% | 0.25 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.7 | -40.6 | 179.1 | -171.4 | -162.8 | 0 | 0 | 0 | 112 | L476 F502 C508 I509 E510 F736 | L476-H506 HydrophobicContact CD2-CB 4.26Å; F502-H506 HydrophobicContact CD1-CB 4.48Å; F502-H506 WeakPolarHBondContact O-CB 3.36Å; F502-H506 PolarHBondContact O-N 2.57Å; H506-C508 VanDerWaalsContact C-N 3.3Å; H506-C508 PolarHBondContact O-N 3.03Å; H506-I509 WeakPolarHBondContact O-CB 3.49Å; H506-I509 PolarHBondContact O-N 2.89Å; H506-E510 IonicContact CE1-OE1 3.14Å; H506-E510 PolarHBondContact O-N 3.28Å; H506-F736 AromaticContact CD2-CE1 3.95Å |
| 507 | A | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61 | -39.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F443 L476 P477 E503 Y505 I509 E510 L511 | F443-A507 HydrophobicContact CD2-CB 4.48Å; F443-A507 HydrophobicContact CE2-CB 3.42Å; F443-A507 VanDerWaalsContact CE2-CB 3.42Å; F443-A507 HydrophobicContact CZ-CB 3.68Å; L476-A507 HydrophobicContact CD2-CB 4.07Å; P477-A507 HydrophobicContact CG-CB 4.08Å; E503-A507 WeakPolarHBondContact O-CB 3.37Å; E503-A507 PolarHBondContact O-N 3.15Å; Y505-A507 PolarHBondContact O-N 3.28Å; A507-I509 VanDerWaalsContact C-N 3.34Å; A507-E510 PolarHBondContact O-N 3.34Å; A507-L511 VanDerWaalsContact O-CG 3.31Å; A507-L511 WeakPolarHBondContact O-CG 3.35Å; A507-L511 PolarHBondContact O-N 2.57Å |
| 508 | C | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 175.4 | -163.5 | 0 | 0 | 0 | 0 | 111.1 | L498 A504 Y505 H506 L511 T512 V527 V727 | L498-C508 HydrophobicContact CD1-CB 3.68Å; A504-C508 PolarHBondContact O-N 2.9Å; A504-C508 VanDerWaalsContact O-N 3.07Å; Y505-C508 WeakPolarHBondContact O-CB 3.35Å; Y505-C508 PolarHBondContact O-N 3.42Å; H506-C508 VanDerWaalsContact C-N 3.3Å; H506-C508 PolarHBondContact O-N 3.03Å; C508-L511 PolarHBondContact O-N 2.92Å; C508-T512 PolarHBondContact O-N 2.83Å; C508-T512 PolarHBondContact O-OG1 3.25Å; C508-V527 HydrophobicContact CB-CG2 3.43Å; C508-V527 VanDerWaalsContact CB-CG2 3.43Å; C508-V727 HydrophobicContact CB-CG1 4.17Å |
| 509 | I | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.6 | -51.8 | 173.8 | -69.1 | 173.4 | 0 | 0 | 0 | 110.8 | Y505 H506 A507 L511 T512 E513 V727 L728 K731 F736 | Y505-I509 HydrophobicContact CD1-CD1 4.46Å; Y505-I509 HydrophobicContact CD2-CD1 4.24Å; Y505-I509 HydrophobicContact CE1-CD1 3.87Å; Y505-I509 HydrophobicContact CE2-CD1 3.59Å; Y505-I509 HydrophobicContact CE2-CG1 4.17Å; Y505-I509 PolarHBondContact O-N 3.27Å; Y505-I509 VanDerWaalsContact O-N 3.13Å; H506-I509 WeakPolarHBondContact O-CB 3.49Å; H506-I509 PolarHBondContact O-N 2.89Å; A507-I509 VanDerWaalsContact C-N 3.34Å; I509-L511 VanDerWaalsContact C-N 3.3Å; I509-L511 PolarHBondContact O-N 3.48Å; I509-T512 PolarHBondContact O-N 3.41Å; I509-T512 VanDerWaalsContact O-N 3.12Å; I509-E513 HydrophobicContact CG2-CG 4.16Å; I509-E513 WeakPolarHBondContact O-CG 3.38Å; I509-E513 PolarHBondContact O-N 3.41Å; I509-V727 HydrophobicContact CG1-CB 3.91Å; I509-V727 HydrophobicContact CG1-CG2 3.97Å; I509-L728 HydrophobicContact CG1-CD2 4.42Å; I509-L728 HydrophobicContact CG2-CD2 3.99Å; I509-K731 HydrophobicContact CD1-CB 4.08Å; I509-K731 HydrophobicContact CD1-CG 4.29Å; I509-K731 HydrophobicContact CG2-CD 4.03Å; I509-F736 HydrophobicContact CD1-CE1 4.35Å; I509-F736 HydrophobicContact CD1-CZ 3.86Å |
| 510 | E | 97.9 | Very high | 97.7 | Very high | 25 Ų | 25 | 35.5 Ų | 35.5 | 12% | 0.117 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.2 | -45.5 | -179.1 | -75.7 | -170.7 | 174.4 | 0 | 0 | 111.4 | P477 S478 M481 H506 A507 N514 | P477-E510 WeakPolarHBondContact CD-OE2 3.33Å; P477-E510 HydrophobicContact CG-CB 3.91Å; P477-E510 VanDerWaalsContact CG-OE2 3.26Å; P477-E510 WeakPolarHBondContact CG-OE2 3.49Å; S478-E510 WeakPolarHBondContact CB-OE1 3.2Å; S478-E510 WeakPolarHBondContact CB-OE2 3.21Å; S478-E510 PolarHBondContact N-OE2 3.12Å; S478-E510 VanDerWaalsContact OG-CD 3.32Å; S478-E510 PolarHBondContact OG-OE1 3Å; S478-E510 PolarHBondContact OG-OE2 3.48Å; M481-E510 HydrophobicContact CE-CB 3.89Å; M481-E510 WeakPolarHBondContact CE-O 3.47Å; H506-E510 IonicContact CE1-OE1 3.14Å; H506-E510 PolarHBondContact O-N 3.28Å; A507-E510 PolarHBondContact O-N 3.34Å; E510-N514 WeakPolarHBondContact O-CB 3.35Å; E510-N514 PolarHBondContact O-N 2.74Å; E510-N514 PolarHBondContact O-ND2 2.74Å |
| 511 | L | 98.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62 | -45 | 177.1 | -67.4 | 171.4 | 0 | 0 | 0 | 111.7 | F443 P477 V484 L496 A507 C508 I509 N514 R515 F521 M525 | F443-L511 HydrophobicContact CE1-CD1 4.23Å; F443-L511 HydrophobicContact CZ-CD1 4.19Å; P477-L511 HydrophobicContact CB-CD2 3.83Å; P477-L511 HydrophobicContact CB-CG 4.32Å; P477-L511 HydrophobicContact CG-CD2 4.03Å; P477-L511 HydrophobicContact CG-CG 3.96Å; V484-L511 HydrophobicContact CG1-CD2 4.21Å; L496-L511 HydrophobicContact CD2-CD1 3.95Å; A507-L511 VanDerWaalsContact O-CG 3.31Å; A507-L511 WeakPolarHBondContact O-CG 3.35Å; A507-L511 PolarHBondContact O-N 2.57Å; C508-L511 PolarHBondContact O-N 2.92Å; I509-L511 VanDerWaalsContact C-N 3.3Å; I509-L511 PolarHBondContact O-N 3.48Å; L511-N514 PolarHBondContact O-N 3Å; L511-R515 PolarHBondContact O-N 2.91Å; L511-F521 HydrophobicContact CD2-CD1 3.83Å; L511-F521 HydrophobicContact CD2-CD2 4.19Å; L511-F521 HydrophobicContact CD2-CE1 3.69Å; L511-F521 HydrophobicContact CD2-CE2 4.05Å; L511-F521 HydrophobicContact CD2-CG 4.1Å; L511-F521 HydrophobicContact CD2-CZ 3.81Å; L511-M525 HydrophobicContact CB-CE 3.86Å; L511-M525 HydrophobicContact CB-SD 3.77Å; L511-M525 HydrophobicContact CD1-SD 3.8Å; L511-M525 HydrophobicContact CG-SD 4.43Å |
| 512 | T | 97.9 | Very high | 97.7 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 6% | 0.055 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.9 | -44.1 | 179.9 | -57.9 | 0 | 0 | 0 | 0 | 112 | C508 I509 N514 R515 M525 A712 L728 | C508-T512 PolarHBondContact O-N 2.83Å; C508-T512 PolarHBondContact O-OG1 3.25Å; I509-T512 PolarHBondContact O-N 3.41Å; I509-T512 VanDerWaalsContact O-N 3.12Å; T512-N514 PolarHBondContact O-N 2.7Å; T512-R515 WeakPolarHBondContact O-CB 3.31Å; T512-R515 WeakPolarHBondContact O-CG 3.4Å; T512-R515 PolarHBondContact O-N 2.79Å; T512-M525 WeakPolarHBondContact OG1-CE 3.41Å; T512-A712 HydrophobicContact CG2-CB 3.94Å; T512-A712 WeakPolarHBondContact OG1-CB 3.21Å; T512-L728 HydrophobicContact CG2-CD1 3.87Å; T512-L728 HydrophobicContact CG2-CG 4.1Å |
| 513 | E | 97 | Very high | 97.7 | Very high | 81 Ų | 81 | 35.5 Ų | 35.5 | 38% | 0.379 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66.2 | -26.5 | 179.7 | -67.8 | -171.4 | 138.6 | 0 | 0 | 112.2 | I509 H516 L728 K731 | I509-E513 HydrophobicContact CG2-CG 4.16Å; I509-E513 WeakPolarHBondContact O-CG 3.38Å; I509-E513 PolarHBondContact O-N 3.41Å; E513-H516 PolarHBondContact O-CE1 3.32Å; E513-H516 PolarHBondContact O-ND1 3.35Å; E513-L728 HydrophobicContact CG-CD2 3.84Å; E513-K731 IonicContact OE1-NZ 3.15Å; E513-K731 PolarHBondContact OE1-NZ 2.96Å; E513-K731 IonicContact OE2-NZ 3.05Å; E513-K731 PolarHBondContact OE2-NZ 3.48Å |
| 514 | N | 97.3 | Very high | 97.8 | Very high | 34 Ų | 34 | 34.7 Ų | 34.7 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 9.5 | -179.7 | -72.4 | -87.9 | 0 | 0 | 0 | 114.4 | M481 E510 L511 T512 H516 Q517 F518 F521 | M481-N514 HydrophobicContact CE-CB 3.86Å; M481-N514 WeakPolarHBondContact CE-ND2 3.42Å; M481-N514 HydrophobicContact SD-CB 4.08Å; E510-N514 WeakPolarHBondContact O-CB 3.35Å; E510-N514 PolarHBondContact O-N 2.74Å; E510-N514 PolarHBondContact O-ND2 2.74Å; L511-N514 PolarHBondContact O-N 3Å; T512-N514 PolarHBondContact O-N 2.7Å; N514-H516 PolarHBondContact O-N 3Å; N514-Q517 PolarHBondContact O-N 2.84Å; N514-F518 HydrophobicContact CB-CD2 4.34Å; N514-F518 PolarHBondContact O-N 3.29Å; N514-F521 HydrophobicContact CB-CD2 4.03Å; N514-F521 HydrophobicContact CB-CE2 4.05Å |
| 515 | R | 97.8 | Very high | 97.8 | Very high | 12 Ų | 12 | 34.8 Ų | 34.8 | 5% | 0.045 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -33.9 | 174.5 | -79.9 | 176.9 | 169 | -176.4 | -1.6 | 114 | L511 T512 Q517 F521 C522 I523 D707 N708 T711 | L511-R515 PolarHBondContact O-N 2.91Å; T512-R515 WeakPolarHBondContact O-CB 3.31Å; T512-R515 WeakPolarHBondContact O-CG 3.4Å; T512-R515 PolarHBondContact O-N 2.79Å; R515-Q517 PolarHBondContact O-N 3.16Å; R515-F521 HydrophobicContact CG-CB 3.94Å; R515-F521 WeakPolarHBondContact CG-O 3.28Å; R515-F521 PolarHBondContact NE-O 2.84Å; R515-C522 PolarHBondContact O-SG 2.83Å; R515-I523 PolarHBondContact NH2-O 2.96Å; R515-D707 PolarHBondContact NH1-O 2.91Å; R515-D707 VanDerWaalsContact NH1-O 3.13Å; R515-N708 VanDerWaalsContact NH1-C 3.33Å; R515-N708 PolarHBondContact NH1-O 3.36Å; R515-T711 PolarHBondContact NH1-OG1 3.03Å; R515-T711 VanDerWaalsContact NH1-OG1 3.17Å; R515-T711 PolarHBondContact NH2-OG1 3.14Å |
| 516 | H | 96.6 | Very high | 97.8 | Very high | 147 Ų | 147 | 34.8 Ų | 34.8 | 68% | 0.681 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.7 | 177.6 | 66.9 | -80.4 | 0 | 0 | 0 | 113.7 | E513 N514 | E513-H516 PolarHBondContact O-CE1 3.32Å; E513-H516 PolarHBondContact O-ND1 3.35Å; N514-H516 PolarHBondContact O-N 3Å |
| 517 | Q | 96.9 | Very high | 97.8 | Very high | 117 Ų | 117 | 32.2 Ų | 32.2 | 55% | 0.547 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -34.7 | -179.8 | -57.2 | -174.2 | 15.2 | 0 | 0 | 112.2 | N514 R515 | N514-Q517 PolarHBondContact O-N 2.84Å; R515-Q517 PolarHBondContact O-N 3.16Å |
| 518 | F | 97.6 | Very high | 97.8 | Very high | 37 Ų | 37 | 32.2 Ų | 32.2 | 16% | 0.162 | 15% | 0.149 | C | C | . | . | trans | -129.1 | 109.6 | -174.8 | -53.8 | -82.8 | 0 | 0 | 0 | 110 | M481 P482 A485 N514 E520 F521 | M481-F518 HydrophobicContact CB-CE2 3.85Å; M481-F518 HydrophobicContact CB-CZ 4Å; P482-F518 HydrophobicContact CB-CE1 4.25Å; P482-F518 HydrophobicContact CG-CE1 4.18Å; P482-F518 HydrophobicContact CG-CZ 4.06Å; A485-F518 HydrophobicContact CB-CB 3.85Å; A485-F518 HydrophobicContact CB-CD1 3.51Å; A485-F518 HydrophobicContact CB-CE1 4.31Å; A485-F518 HydrophobicContact CB-CG 3.84Å; N514-F518 HydrophobicContact CB-CD2 4.34Å; N514-F518 PolarHBondContact O-N 3.29Å; F518-E520 PolarHBondContact O-N 3.4Å; F518-E520 VanDerWaalsContact O-N 3.14Å; F518-F521 HydrophobicContact CB-CD1 4.42Å; F518-F521 HydrophobicContact CB-CD2 3.68Å; F518-F521 HydrophobicContact CB-CE1 4.39Å; F518-F521 HydrophobicContact CB-CE2 3.65Å; F518-F521 HydrophobicContact CB-CG 4.06Å; F518-F521 HydrophobicContact CB-CZ 4.02Å; F518-F521 AromaticContact CD2-CD2 3.93Å; F518-F521 HydrophobicContact CD2-CD2 3.93Å; F518-F521 AromaticContact CD2-CE2 3.3Å; F518-F521 HydrophobicContact CD2-CE2 3.3Å; F518-F521 AromaticContact CD2-CZ 3.97Å; F518-F521 HydrophobicContact CD2-CZ 3.97Å; F518-F521 HydrophobicContact CE2-CE2 4.16Å; F518-F521 HydrophobicContact CG-CD2 4.19Å; F518-F521 AromaticContact CG-CE2 3.69Å; F518-F521 HydrophobicContact CG-CE2 3.69Å; F518-F521 HydrophobicContact CG-CZ 4.03Å; F518-F521 PolarHBondContact O-N 2.86Å | ||
| 519 | K | 96.5 | Very high | 97.8 | Very high | 149 Ų | 149 | 32.2 Ų | 32.2 | 65% | 0.648 | 15% | 0.149 | S | C | * | . | G | 310 helix | trans | -60.1 | -24.8 | 178.1 | 66.9 | 176.7 | -176.5 | 179 | 0 | 112.5 | F521 C522 Y705 | K519-F521 PolarHBondContact O-N 2.59Å; K519-C522 VanDerWaalsContact O-CB 3.24Å; K519-C522 WeakPolarHBondContact O-CB 3.42Å; K519-C522 PolarHBondContact O-N 2.84Å; K519-Y705 HydrophobicContact CB-CE2 4.41Å |
| 520 | E | 97.6 | Very high | 97.8 | Very high | 54 Ų | 54 | 32.2 Ų | 32.2 | 25% | 0.252 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -68 | -15.8 | 178.4 | -65.9 | 74.9 | -162.3 | 0 | 0 | 112.8 | A485 L488 F518 | A485-E520 HydrophobicContact CB-CB 4.26Å; A485-E520 WeakPolarHBondContact O-CG 2.92Å; L488-E520 HydrophobicContact CB-CB 4.29Å; F518-E520 PolarHBondContact O-N 3.4Å; F518-E520 VanDerWaalsContact O-N 3.14Å |
| 521 | F | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -89.3 | -9.1 | 171.9 | -54.9 | -19.6 | 0 | 0 | 0 | 112.7 | M481 V484 A485 L488 L511 N514 R515 F518 K519 I523 | M481-F521 HydrophobicContact SD-CD2 4.46Å; M481-F521 HydrophobicContact SD-CE2 3.37Å; M481-F521 WeakPolarHBondContact SD-CE2 3.39Å; M481-F521 HydrophobicContact SD-CZ 3.7Å; V484-F521 HydrophobicContact CG1-CE1 3.94Å; V484-F521 HydrophobicContact CG1-CZ 4.3Å; A485-F521 HydrophobicContact CB-CE1 3.78Å; A485-F521 HydrophobicContact CB-CZ 3.87Å; L488-F521 HydrophobicContact CD1-CD1 3.92Å; L488-F521 HydrophobicContact CD1-CE1 4Å; L511-F521 HydrophobicContact CD2-CD1 3.83Å; L511-F521 HydrophobicContact CD2-CD2 4.19Å; L511-F521 HydrophobicContact CD2-CE1 3.69Å; L511-F521 HydrophobicContact CD2-CE2 4.05Å; L511-F521 HydrophobicContact CD2-CG 4.1Å; L511-F521 HydrophobicContact CD2-CZ 3.81Å; N514-F521 HydrophobicContact CB-CD2 4.03Å; N514-F521 HydrophobicContact CB-CE2 4.05Å; R515-F521 HydrophobicContact CG-CB 3.94Å; R515-F521 WeakPolarHBondContact CG-O 3.28Å; R515-F521 PolarHBondContact NE-O 2.84Å; F518-F521 HydrophobicContact CB-CD1 4.42Å; F518-F521 HydrophobicContact CB-CD2 3.68Å; F518-F521 HydrophobicContact CB-CE1 4.39Å; F518-F521 HydrophobicContact CB-CE2 3.65Å; F518-F521 HydrophobicContact CB-CG 4.06Å; F518-F521 HydrophobicContact CB-CZ 4.02Å; F518-F521 AromaticContact CD2-CD2 3.93Å; F518-F521 HydrophobicContact CD2-CD2 3.93Å; F518-F521 AromaticContact CD2-CE2 3.3Å; F518-F521 HydrophobicContact CD2-CE2 3.3Å; F518-F521 AromaticContact CD2-CZ 3.97Å; F518-F521 HydrophobicContact CD2-CZ 3.97Å; F518-F521 HydrophobicContact CE2-CE2 4.16Å; F518-F521 HydrophobicContact CG-CD2 4.19Å; F518-F521 AromaticContact CG-CE2 3.69Å; F518-F521 HydrophobicContact CG-CE2 3.69Å; F518-F521 HydrophobicContact CG-CZ 4.03Å; F518-F521 PolarHBondContact O-N 2.86Å; K519-F521 PolarHBondContact O-N 2.59Å; F521-I523 PolarHBondContact O-N 2.93Å |
| 522 | C | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -77.6 | 52.9 | 177 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | R515 K519 Y705 T706 | R515-C522 PolarHBondContact O-SG 2.83Å; K519-C522 VanDerWaalsContact O-CB 3.24Å; K519-C522 WeakPolarHBondContact O-CB 3.42Å; K519-C522 PolarHBondContact O-N 2.84Å; C522-Y705 HydrophobicContact CB-CD2 3.63Å; C522-Y705 HydrophobicContact CB-CE2 3.48Å; C522-Y705 VanDerWaalsContact CB-CE2 3.48Å; C522-Y705 HydrophobicContact CB-CG 4.32Å; C522-Y705 CarbonylContact O-C 3.39Å; C522-Y705 WeakPolarHBondContact O-CA 3.13Å; C522-T706 CarbonylContact C-O 3.43Å; C522-T706 WeakPolarHBondContact CA-O 3.32Å; C522-T706 WeakPolarHBondContact CB-O 3.36Å; C522-T706 PolarHBondContact O-N 3.06Å | ||
| 523 | I | 98 | Very high | 97.8 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -128.5 | 157 | 177.4 | 57.4 | 172.3 | 0 | 0 | 0 | 109.8 | I493 N494 L496 R515 F521 M525 | I493-I523 HydrophobicContact CG2-CD1 3.98Å; N494-I523 WeakPolarHBondContact O-CB 3.39Å; L496-I523 HydrophobicContact CB-CD1 4.29Å; R515-I523 PolarHBondContact NH2-O 2.96Å; F521-I523 PolarHBondContact O-N 2.93Å; I523-M525 HydrophobicContact CG1-CG 4.34Å; I523-M525 PolarHBondContact O-N 3.25Å |
| 524 | P | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -58.2 | 133.7 | 169.4 | -25.1 | 35.4 | 0 | 0 | 0 | 111.9 | N494 A495 L496 L690 M693 V704 T706 T711 | N494-P524 WeakPolarHBondContact O-CD 3.45Å; A495-P524 VanDerWaalsContact CA-O 3.25Å; A495-P524 WeakPolarHBondContact CA-O 3.1Å; A495-P524 HydrophobicContact CB-CB 4.29Å; L496-P524 PolarHBondContact N-O 2.72Å; P524-L690 HydrophobicContact CB-CD2 3.82Å; P524-M693 HydrophobicContact CB-CB 4Å; P524-M693 HydrophobicContact CB-SD 4.46Å; P524-M693 HydrophobicContact CG-CB 3.84Å; P524-V704 HydrophobicContact CG-CG1 4.37Å; P524-T706 HydrophobicContact CG-CG2 4.14Å; P524-T711 WeakPolarHBondContact CA-O 3.33Å | ||
| 525 | M | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 143 | 179.3 | -61.6 | -174.4 | -77.5 | 0 | 0 | 110.1 | L496 L511 T512 I523 T711 A712 L713 | L496-M525 HydrophobicContact CB-CG 4.2Å; L496-M525 HydrophobicContact CD2-SD 4.43Å; L496-M525 CarbonylContact O-C 3.51Å; L496-M525 VanDerWaalsContact O-CA 3.3Å; L496-M525 WeakPolarHBondContact O-CA 3.46Å; L511-M525 HydrophobicContact CB-CE 3.86Å; L511-M525 HydrophobicContact CB-SD 3.77Å; L511-M525 HydrophobicContact CD1-SD 3.8Å; L511-M525 HydrophobicContact CG-SD 4.43Å; T512-M525 WeakPolarHBondContact OG1-CE 3.41Å; I523-M525 HydrophobicContact CG1-CG 4.34Å; I523-M525 PolarHBondContact O-N 3.25Å; M525-T711 PolarHBondContact N-O 3.01Å; M525-T711 VanDerWaalsContact O-O 3.1Å; M525-A712 HydrophobicContact CB-CB 4.43Å; M525-A712 HydrophobicContact CE-CB 4.12Å; M525-A712 CarbonylContact O-C 3.16Å; M525-A712 WeakPolarHBondContact O-CA 3.5Å; M525-L713 PolarHBondContact O-N 3.01Å |
| 526 | A | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 145.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L496 L497 L498 V686 L690 L713 | L496-A526 PolarHBondContact O-N 2.97Å; L497-A526 WeakPolarHBondContact CA-O 3.39Å; L497-A526 HydrophobicContact CD1-CB 4.34Å; L497-A526 WeakPolarHBondContact CD1-O 3.48Å; L498-A526 PolarHBondContact N-O 3.39Å; A526-V686 HydrophobicContact CB-CG1 3.4Å; A526-V686 VanDerWaalsContact CB-CG1 3.4Å; A526-V686 HydrophobicContact CB-CG2 4.49Å; A526-L690 HydrophobicContact CB-CD1 4.05Å; A526-L690 HydrophobicContact CB-CD2 3.89Å; A526-L690 HydrophobicContact CB-CG 4.08Å; A526-L713 CarbonylContact C-O 3.53Å; A526-L713 VanDerWaalsContact CA-O 3.22Å; A526-L713 WeakPolarHBondContact CA-O 3.36Å |
| 527 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.5 | 173.7 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | L498 A504 C508 L713 L714 L715 V727 | L498-V527 HydrophobicContact CB-CG2 4.25Å; L498-V527 HydrophobicContact CD1-CG2 4.17Å; L498-V527 CarbonylContact O-C 3.58Å; L498-V527 VanDerWaalsContact O-CA 3.29Å; L498-V527 WeakPolarHBondContact O-CA 3.45Å; A504-V527 HydrophobicContact CB-CG1 4.15Å; C508-V527 HydrophobicContact CB-CG2 3.43Å; C508-V527 VanDerWaalsContact CB-CG2 3.43Å; V527-L713 PolarHBondContact N-O 2.67Å; V527-L714 HydrophobicContact CB-CB 4.33Å; V527-L714 HydrophobicContact CB-CD1 4.21Å; V527-L714 HydrophobicContact CB-CG 4.23Å; V527-L714 HydrophobicContact CG1-CD1 4.1Å; V527-L714 HydrophobicContact CG1-CG 4.48Å; V527-L715 PolarHBondContact O-N 3.06Å; V527-V727 HydrophobicContact CG2-CG1 4.43Å |
| 528 | I | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 112.6 | 165.8 | -70.2 | 176.1 | 0 | 0 | 0 | 108.2 | L497 L498 V499 G500 C530 I543 M682 A683 V686 | L497-I528 HydrophobicContact CD1-CB 4.47Å; L497-I528 HydrophobicContact CD1-CD1 3.94Å; L497-I528 HydrophobicContact CD1-CG1 3.89Å; L497-I528 HydrophobicContact CD2-CD1 4.11Å; L498-I528 PolarHBondContact O-N 3.28Å; V499-I528 HydrophobicContact CG1-CG2 4.44Å; V499-I528 HydrophobicContact CG2-CB 4.41Å; G500-I528 PolarHBondContact N-O 3.29Å; I528-C530 PolarHBondContact O-N 3.02Å; I528-I543 HydrophobicContact CG2-CD1 3.34Å; I528-M682 HydrophobicContact CD1-CB 4.27Å; I528-M682 HydrophobicContact CG2-CB 4.34Å; I528-M682 HydrophobicContact CG2-CE 4.2Å; I528-M682 HydrophobicContact CG2-SD 4.43Å; I528-A683 HydrophobicContact CD1-CB 4.22Å; I528-V686 HydrophobicContact CD1-CB 4.13Å; I528-V686 HydrophobicContact CD1-CG2 3.87Å; I528-V686 HydrophobicContact CG1-CB 4.44Å; I528-V686 HydrophobicContact CG1-CG2 3.73Å |
| 529 | P | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 115 | 176.6 | -25.9 | 36.7 | 0 | 0 | 0 | 112.4 | G500 V536 A539 I543 L714 L715 | G500-P529 CarbonylContact O-C 3.5Å; G500-P529 WeakPolarHBondContact O-CA 3.22Å; P529-V536 HydrophobicContact CB-CB 4.02Å; P529-V536 HydrophobicContact CB-CG1 4.08Å; P529-V536 HydrophobicContact CB-CG2 4.25Å; P529-V536 HydrophobicContact CG-CB 4.44Å; P529-V536 HydrophobicContact CG-CG1 4.03Å; P529-A539 HydrophobicContact CB-CB 4.15Å; P529-A539 HydrophobicContact CG-CB 3.8Å; P529-I543 PolarHBondContact O-N 2.95Å; P529-L714 HydrophobicContact CG-CD1 4.12Å; P529-L714 HydrophobicContact CG-CD2 3.81Å; P529-L714 HydrophobicContact CG-CG 3.97Å; P529-L715 WeakPolarHBondContact CD-O 3.45Å |
| 530 | C | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.049 | C | C | . | . | B | Isolated β-bridge | trans | -139.3 | 99.7 | -179.8 | -167.7 | 0 | 0 | 0 | 0 | 110.1 | M418 V499 G500 G501 I528 I543 | M418-C530 HydrophobicContact CE-CB 4.46Å; M418-C530 HydrophobicContact CG-CB 4.3Å; M418-C530 WeakPolarHBondContact CG-SG 3.08Å; V499-C530 HydrophobicContact CG1-CB 3.75Å; G500-C530 CarbonylContact C-O 3.6Å; G500-C530 WeakPolarHBondContact CA-O 3.24Å; G500-C530 PolarHBondContact O-N 2.95Å; G501-C530 PolarHBondContact N-O 3.26Å; G501-C530 VanDerWaalsContact N-O 3.15Å; I528-C530 PolarHBondContact O-N 3.02Å; C530-I543 CarbonylContact C-O 3.49Å; C530-I543 WeakPolarHBondContact CA-O 3.32Å; C530-I543 HydrophobicContact CB-CB 4.1Å; C530-I543 PolarHBondContact SG-O 3.13Å |
| 531 | T | 97.7 | Very high | 96.9 | Very high | 13 Ų | 13 | 6.7 Ų | 6.7 | 8% | 0.08 | 4% | 0.041 | C | C | . | . | trans | -163.5 | 150.9 | -178.4 | 175.9 | 0 | 0 | 0 | 0 | 109.1 | S533 V536 S542 I543 | T531-S533 VanDerWaalsContact C-N 3.33Å; T531-S533 PolarHBondContact OG1-N 3.32Å; T531-V536 HydrophobicContact CG2-CG2 3.79Å; T531-S542 PolarHBondContact O-OG 2.78Å; T531-I543 PolarHBondContact N-O 3.09Å | ||
| 532 | I | 97.7 | Very high | 96.8 | Very high | 10 Ų | 10 | 6.7 Ų | 6.7 | 5% | 0.051 | 4% | 0.041 | C | C | . | . | S | Bend | trans | -72.6 | -28.6 | 174.4 | 65.3 | 172 | 0 | 0 | 0 | 112.3 | N534 A548 M576 L583 Q666 Q667 | I532-N534 VanDerWaalsContact C-N 3.29Å; I532-N534 PolarHBondContact O-N 3.21Å; I532-A548 HydrophobicContact CB-CB 3.7Å; I532-A548 HydrophobicContact CG2-CB 3.81Å; I532-M576 HydrophobicContact CD1-CB 4.15Å; I532-M576 HydrophobicContact CD1-CE 4.35Å; I532-M576 HydrophobicContact CD1-SD 4.01Å; I532-L583 HydrophobicContact CB-CD1 4.35Å; I532-L583 HydrophobicContact CD1-CD1 4.38Å; I532-L583 HydrophobicContact CG1-CD1 4.28Å; I532-L583 WeakPolarHBondContact O-CD1 3.42Å; I532-L583 WeakPolarHBondContact O-CD2 3.38Å; I532-L583 WeakPolarHBondContact O-CG 3.21Å; I532-Q666 HydrophobicContact CD1-CB 4.19Å; I532-Q667 HydrophobicContact CD1-CG 4.22Å |
| 533 | S | 97.7 | Very high | 96.8 | Very high | 18 Ų | 18 | 6.7 Ų | 6.7 | 13% | 0.126 | 4% | 0.041 | C | C | . | . | S | Bend | trans | -74.7 | -17.2 | -171.5 | -52.8 | 0 | 0 | 0 | 0 | 114.1 | T531 N535 C580 | T531-S533 VanDerWaalsContact C-N 3.33Å; T531-S533 PolarHBondContact OG1-N 3.32Å; S533-N535 VanDerWaalsContact C-N 3.25Å; S533-N535 PolarHBondContact O-N 2.88Å; S533-C580 PolarHBondContact O-SG 3.29Å |
| 534 | N | 97.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 6.4 Ų | 6.4 | 3% | 0.027 | 4% | 0.039 | C | C | . | . | trans | 49.5 | 44.7 | -173.1 | -163.4 | 38.2 | 0 | 0 | 0 | 113.9 | I532 N540 Y541 S542 Y582 | I532-N534 VanDerWaalsContact C-N 3.29Å; I532-N534 PolarHBondContact O-N 3.21Å; N534-N540 PolarHBondContact ND2-O 3.18Å; N534-Y541 VanDerWaalsContact OD1-C 3.27Å; N534-Y541 VanDerWaalsContact OD1-CA 3.26Å; N534-Y541 WeakPolarHBondContact OD1-CA 3.31Å; N534-S542 WeakPolarHBondContact CA-OG 3.49Å; N534-S542 PolarHBondContact N-OG 2.8Å; N534-S542 PolarHBondContact OD1-N 3.31Å; N534-S542 PolarHBondContact OD1-OG 3.29Å; N534-Y582 HydrophobicContact CB-CD1 3.6Å; N534-Y582 HydrophobicContact CB-CD2 3.98Å; N534-Y582 HydrophobicContact CB-CE1 3.83Å; N534-Y582 HydrophobicContact CB-CE2 4.15Å; N534-Y582 HydrophobicContact CB-CG 3.7Å; N534-Y582 WeakPolarHBondContact ND2-CD2 3.36Å; N534-Y582 WeakPolarHBondContact ND2-CE2 3.46Å | ||
| 535 | N | 97 | Very high | 96.7 | Very high | 11 Ų | 11 | 6.4 Ų | 6.4 | 6% | 0.059 | 4% | 0.04 | C | C | . | . | trans | -109.4 | 20.2 | -174.1 | 74.3 | -45.3 | 0 | 0 | 0 | 113.1 | S533 C580 R739 L740 | S533-N535 VanDerWaalsContact C-N 3.25Å; S533-N535 PolarHBondContact O-N 2.88Å; N535-C580 HydrophobicContact CB-CB 3.78Å; N535-R739 PolarHBondContact ND2-O 3.37Å; N535-L740 HydrophobicContact CB-CD2 4.4Å | ||
| 536 | V | 96.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 6.7 Ų | 6.7 | 1% | 0.006 | 4% | 0.041 | C | C | . | . | trans | -96.4 | 123.5 | -177.8 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | Y505 P529 T531 L714 | Y505-V536 HydrophobicContact CG-CG1 4.49Å; P529-V536 HydrophobicContact CB-CB 4.02Å; P529-V536 HydrophobicContact CB-CG1 4.08Å; P529-V536 HydrophobicContact CB-CG2 4.25Å; P529-V536 HydrophobicContact CG-CB 4.44Å; P529-V536 HydrophobicContact CG-CG1 4.03Å; T531-V536 HydrophobicContact CG2-CG2 3.79Å; V536-L714 HydrophobicContact CG1-CD1 3.65Å | ||
| 537 | P | 95.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 7 Ų | 7 | 1% | 0.013 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 147 | 175.3 | -25 | 34.2 | 0 | 0 | 0 | 113.8 | F502 Y505 A539 L714 L730 T734 P741 | F502-P537 HydrophobicContact CE2-CG 4.32Å; Y505-P537 HydrophobicContact CD1-CG 4.42Å; Y505-P537 HydrophobicContact CE1-CB 4.47Å; Y505-P537 HydrophobicContact CE1-CG 3.85Å; P537-A539 VanDerWaalsContact C-N 3.3Å; P537-A539 PolarHBondContact O-N 3.12Å; P537-L714 WeakPolarHBondContact O-CD1 3.44Å; P537-L714 WeakPolarHBondContact O-CD2 3.29Å; P537-L730 HydrophobicContact CB-CB 4.29Å; P537-T734 HydrophobicContact CG-CG2 3.85Å; P537-T734 VanDerWaalsContact CG-OG1 3.27Å; P537-T734 WeakPolarHBondContact CG-OG1 3.47Å; P537-P741 HydrophobicContact CB-CB 4.35Å; P537-P741 HydrophobicContact CG-CB 4.31Å |
| 538 | G | 93.6 | Very high | 96.7 | Very high | 14 Ų | 14 | 7 Ų | 7 | 14% | 0.144 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 2.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G716 L718 | G538-G716 WeakPolarHBondContact O-CA 3.34Å; G538-L718 WeakPolarHBondContact O-CD1 3.36Å; G538-L718 VanDerWaalsContact O-CG 3.29Å; G538-L718 WeakPolarHBondContact O-CG 3.23Å |
| 539 | A | 93.7 | Very high | 96.7 | Very high | 11 Ų | 11 | 7.1 Ų | 7.1 | 9% | 0.091 | 4% | 0.044 | C | C | . | . | trans | -133.7 | 126.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P529 P537 Y541 L714 | P529-A539 HydrophobicContact CB-CB 4.15Å; P529-A539 HydrophobicContact CG-CB 3.8Å; P537-A539 VanDerWaalsContact C-N 3.3Å; P537-A539 PolarHBondContact O-N 3.12Å; A539-Y541 PolarHBondContact O-N 3.38Å; A539-L714 HydrophobicContact CB-CD2 4.47Å | ||
| 540 | N | 92.7 | Very high | 96.7 | Very high | 23 Ų | 23 | 8.8 Ų | 8.8 | 12% | 0.123 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -72.2 | -23.2 | 174.3 | -73.6 | -4 | 0 | 0 | 0 | 112.4 | N534 V717 H719 W745 | N534-N540 PolarHBondContact ND2-O 3.18Å; N540-V717 VanDerWaalsContact CB-O 3.26Å; N540-V717 WeakPolarHBondContact CB-O 3.45Å; N540-V717 PolarHBondContact N-O 2.97Å; N540-H719 PolarHBondContact ND2-N 3.32Å; N540-W745 VanDerWaalsContact CB-CD1 3.5Å; N540-W745 HydrophobicContact CB-CG 4.3Å; N540-W745 VanDerWaalsContact CG-CD1 3.4Å; N540-W745 PolarHBondContact O-NE1 3.48Å |
| 541 | Y | 93.2 | Very high | 96.7 | Very high | 23 Ų | 23 | 10.3 Ų | 10.3 | 9% | 0.09 | 6% | 0.062 | C | C | . | . | trans | -139.6 | 129.8 | -179 | -55.2 | -82.7 | 0 | 0 | 0 | 109 | N339 N534 A539 M678 V717 W745 | N339-Y541 HydrophobicContact CB-CE2 3.65Å; N339-Y541 VanDerWaalsContact ND2-CE2 3.33Å; N339-Y541 WeakPolarHBondContact ND2-CE2 3.28Å; N534-Y541 VanDerWaalsContact OD1-C 3.27Å; N534-Y541 VanDerWaalsContact OD1-CA 3.26Å; N534-Y541 WeakPolarHBondContact OD1-CA 3.31Å; A539-Y541 PolarHBondContact O-N 3.38Å; Y541-M678 WeakPolarHBondContact O-CE 3.21Å; Y541-V717 HydrophobicContact CD2-CG1 4.45Å; Y541-W745 HydrophobicContact CD1-CZ2 4.18Å; Y541-W745 AromaticContact CE1-CH2 3.86Å; Y541-W745 HydrophobicContact CE1-CH2 3.86Å; Y541-W745 AromaticContact CE1-CZ2 3.31Å; Y541-W745 HydrophobicContact CE1-CZ2 3.31Å; Y541-W745 HydrophobicContact CE2-CZ2 4.47Å; Y541-W745 AromaticContact CZ-CH2 3.88Å; Y541-W745 AromaticContact CZ-CZ2 3.48Å; Y541-W745 VanDerWaalsContact CZ-CZ2 3.48Å; Y541-W745 VanDerWaalsContact OH-CH2 3.25Å; Y541-W745 WeakPolarHBondContact OH-CH2 2.93Å; Y541-W745 WeakPolarHBondContact OH-CZ2 3.48Å | ||
| 542 | S | 96.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.058 | C | C | . | . | trans | -101.6 | 146.1 | 168.7 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | T531 N534 G544 S545 | T531-S542 PolarHBondContact O-OG 2.78Å; N534-S542 WeakPolarHBondContact CA-OG 3.49Å; N534-S542 PolarHBondContact N-OG 2.8Å; N534-S542 PolarHBondContact OD1-N 3.31Å; N534-S542 PolarHBondContact OD1-OG 3.29Å; S542-G544 PolarHBondContact O-N 3.03Å; S542-S545 VanDerWaalsContact O-CB 3.31Å; S542-S545 WeakPolarHBondContact O-CB 3.33Å; S542-S545 PolarHBondContact O-N 3.41Å; S542-S545 PolarHBondContact O-OG 3.13Å | ||
| 543 | I | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.056 | C | C | . | . | B | Isolated β-bridge | trans | -62.1 | 134.8 | 174.3 | -62.1 | 159.3 | 0 | 0 | 0 | 109.4 | S415 C416 I528 P529 C530 T531 D675 M678 A679 M682 | S415-I543 PolarHBondContact OG-O 3.31Å; C416-I543 WeakPolarHBondContact O-CG2 3.18Å; I528-I543 HydrophobicContact CG2-CD1 3.34Å; P529-I543 PolarHBondContact O-N 2.95Å; C530-I543 CarbonylContact C-O 3.49Å; C530-I543 WeakPolarHBondContact CA-O 3.32Å; C530-I543 HydrophobicContact CB-CB 4.1Å; C530-I543 PolarHBondContact SG-O 3.13Å; T531-I543 PolarHBondContact N-O 3.09Å; I543-D675 HydrophobicContact CG2-CB 4.42Å; I543-M678 HydrophobicContact CG1-CB 4.48Å; I543-M678 HydrophobicContact CG1-CG 3.99Å; I543-M678 HydrophobicContact CG1-SD 4.39Å; I543-A679 HydrophobicContact CD1-CB 3.85Å; I543-A679 HydrophobicContact CG1-CB 4.32Å; I543-A679 HydrophobicContact CG2-CB 3.95Å; I543-M682 HydrophobicContact CD1-SD 3.91Å; I543-M682 HydrophobicContact CG1-SD 4.06Å |
| 544 | G | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -14 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | S415 C416 S542 A548 D675 | S415-G544 WeakPolarHBondContact OG-CA 3.33Å; C416-G544 VanDerWaalsContact O-CA 3.27Å; C416-G544 WeakPolarHBondContact O-CA 3.11Å; C416-G544 PolarHBondContact O-N 3.25Å; S542-G544 PolarHBondContact O-N 3.03Å; G544-A548 PolarHBondContact O-N 3.13Å; G544-A548 VanDerWaalsContact O-N 3.09Å; G544-D675 VanDerWaalsContact C-OD2 3.29Å; G544-D675 VanDerWaalsContact CA-CG 3.45Å; G544-D675 WeakPolarHBondContact CA-OD2 3.34Å; G544-D675 PolarHBondContact N-OD1 2.94Å; G544-D675 PolarHBondContact N-OD2 3.04Å |
| 545 | S | 97.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.007 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68.6 | -35.2 | 179.2 | 67.1 | 0 | 0 | 0 | 0 | 112.3 | S542 A548 L549 | S542-S545 VanDerWaalsContact O-CB 3.31Å; S542-S545 WeakPolarHBondContact O-CB 3.33Å; S542-S545 PolarHBondContact O-N 3.41Å; S542-S545 PolarHBondContact O-OG 3.13Å; S545-A548 PolarHBondContact O-N 3.49Å; S545-L549 VanDerWaalsContact O-CG 3.27Å; S545-L549 WeakPolarHBondContact O-CG 3.44Å; S545-L549 PolarHBondContact O-N 2.87Å |
| 546 | D | 98.1 | Very high | 96.6 | Very high | 7 Ų | 7 | 12.5 Ų | 12.5 | 4% | 0.037 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.6 | -42.6 | 176 | 175.9 | 74.1 | 0 | 0 | 0 | 111.9 | A548 L549 N550 S672 F674 | D546-A548 VanDerWaalsContact C-N 3.29Å; D546-A548 PolarHBondContact O-N 2.83Å; D546-L549 PolarHBondContact O-N 2.95Å; D546-N550 PolarHBondContact O-N 3.5Å; D546-N550 PolarHBondContact O-ND2 3.36Å; D546-N550 PolarHBondContact OD1-ND2 3.25Å; D546-N550 PolarHBondContact OD2-ND2 3.16Å; D546-N550 VanDerWaalsContact OD2-ND2 3.1Å; D546-S672 WeakPolarHBondContact OD2-CB 3.4Å; D546-S672 PolarHBondContact OD2-OG 3.11Å; D546-F674 HydrophobicContact CB-CB 4.2Å; D546-F674 HydrophobicContact CB-CD1 3.75Å; D546-F674 HydrophobicContact CB-CG 4.22Å |
| 547 | T | 98.3 | Very high | 96.6 | Very high | 7 Ų | 7 | 13.4 Ų | 13.4 | 4% | 0.043 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58 | -45.4 | 174.5 | -57.9 | 0 | 0 | 0 | 0 | 110.5 | C416 L549 N550 V551 S672 D675 | C416-T547 HydrophobicContact CB-CG2 3.95Å; T547-L549 PolarHBondContact O-N 2.93Å; T547-N550 PolarHBondContact O-N 3.42Å; T547-V551 WeakPolarHBondContact O-CG2 3.26Å; T547-V551 PolarHBondContact O-N 2.99Å; T547-S672 PolarHBondContact OG1-N 2.81Å; T547-S672 PolarHBondContact OG1-OG 2.98Å; T547-D675 VanDerWaalsContact CB-OD2 3.23Å; T547-D675 WeakPolarHBondContact CB-OD2 3.29Å; T547-D675 PolarHBondContact N-OD2 3.37Å; T547-D675 PolarHBondContact OG1-OD2 3.38Å |
| 548 | A | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61 | -45 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I532 G544 S545 D546 N550 V551 I552 L583 Q666 | I532-A548 HydrophobicContact CB-CB 3.7Å; I532-A548 HydrophobicContact CG2-CB 3.81Å; G544-A548 PolarHBondContact O-N 3.13Å; G544-A548 VanDerWaalsContact O-N 3.09Å; S545-A548 PolarHBondContact O-N 3.49Å; D546-A548 VanDerWaalsContact C-N 3.29Å; D546-A548 PolarHBondContact O-N 2.83Å; A548-N550 VanDerWaalsContact C-N 3.34Å; A548-N550 PolarHBondContact O-N 3.3Å; A548-V551 PolarHBondContact O-N 2.81Å; A548-I552 VanDerWaalsContact O-CG1 3.25Å; A548-I552 WeakPolarHBondContact O-CG1 3.22Å; A548-I552 PolarHBondContact O-N 3.5Å; A548-L583 HydrophobicContact CB-CD1 4.47Å; A548-L583 HydrophobicContact CB-CD2 3.93Å; A548-Q666 WeakPolarHBondContact CA-O 3.28Å; A548-Q666 WeakPolarHBondContact CB-O 3.37Å |
| 549 | L | 98.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.5 | -43 | 176.6 | -72.3 | 173 | 0 | 0 | 0 | 112.1 | A302 L306 S545 D546 T547 V551 I552 C553 Y582 L583 L586 A587 | A302-L549 HydrophobicContact CB-CB 3.73Å; L306-L549 HydrophobicContact CD1-CD1 4.29Å; S545-L549 VanDerWaalsContact O-CG 3.27Å; S545-L549 WeakPolarHBondContact O-CG 3.44Å; S545-L549 PolarHBondContact O-N 2.87Å; D546-L549 PolarHBondContact O-N 2.95Å; T547-L549 PolarHBondContact O-N 2.93Å; L549-V551 PolarHBondContact O-N 2.85Å; L549-I552 PolarHBondContact O-N 3Å; L549-C553 WeakPolarHBondContact O-CB 3.46Å; L549-C553 PolarHBondContact O-N 2.91Å; L549-C553 PolarHBondContact O-SG 3.1Å; L549-Y582 HydrophobicContact CD1-CE1 3.97Å; L549-Y582 HydrophobicContact CG-CE1 4.38Å; L549-L583 HydrophobicContact CD2-CD2 3.82Å; L549-L583 HydrophobicContact CG-CD2 4.01Å; L549-L586 HydrophobicContact CD1-CB 4.24Å; L549-L586 HydrophobicContact CD1-CD1 4.23Å; L549-L586 HydrophobicContact CD2-CB 3.71Å; L549-A587 HydrophobicContact CD2-CB 3.95Å |
| 550 | N | 98.4 | Very high | 96.3 | Very high | 34 Ų | 34 | 19.3 Ų | 19.3 | 18% | 0.182 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.9 | -42 | 176.5 | -81.4 | -72 | 0 | 0 | 0 | 112.1 | S301 A302 D546 T547 A548 C553 S554 | S301-N550 WeakPolarHBondContact CA-OD1 3.48Å; S301-N550 WeakPolarHBondContact CB-OD1 3.39Å; A302-N550 PolarHBondContact N-OD1 2.95Å; D546-N550 PolarHBondContact O-N 3.5Å; D546-N550 PolarHBondContact O-ND2 3.36Å; D546-N550 PolarHBondContact OD1-ND2 3.25Å; D546-N550 PolarHBondContact OD2-ND2 3.16Å; D546-N550 VanDerWaalsContact OD2-ND2 3.1Å; T547-N550 PolarHBondContact O-N 3.42Å; A548-N550 VanDerWaalsContact C-N 3.34Å; A548-N550 PolarHBondContact O-N 3.3Å; N550-C553 PolarHBondContact O-N 3.48Å; N550-S554 WeakPolarHBondContact O-CB 3.47Å; N550-S554 PolarHBondContact O-N 2.93Å |
| 551 | V | 97.9 | Very high | 96.1 | Very high | 32 Ų | 32 | 25.2 Ų | 25.2 | 19% | 0.194 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.6 | -48.5 | 175.5 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | T547 A548 L549 C553 S554 M555 A665 | T547-V551 WeakPolarHBondContact O-CG2 3.26Å; T547-V551 PolarHBondContact O-N 2.99Å; A548-V551 PolarHBondContact O-N 2.81Å; L549-V551 PolarHBondContact O-N 2.85Å; V551-C553 VanDerWaalsContact C-N 3.33Å; V551-C553 PolarHBondContact O-N 3.26Å; V551-S554 WeakPolarHBondContact O-CB 3.37Å; V551-S554 PolarHBondContact O-N 2.84Å; V551-M555 HydrophobicContact CG1-CE 3.98Å; V551-M555 HydrophobicContact CG1-CG 4.48Å; V551-M555 HydrophobicContact CG1-SD 4.21Å; V551-M555 WeakPolarHBondContact O-CG 2.97Å; V551-M555 PolarHBondContact O-N 3.31Å; V551-A665 WeakPolarHBondContact CG1-O 3.42Å |
| 552 | I | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.4 | -45.9 | -179.9 | -61.2 | 161.7 | 0 | 0 | 0 | 109.7 | A548 L549 S554 M555 V556 T575 L583 A587 L662 Q666 | A548-I552 VanDerWaalsContact O-CG1 3.25Å; A548-I552 WeakPolarHBondContact O-CG1 3.22Å; A548-I552 PolarHBondContact O-N 3.5Å; L549-I552 PolarHBondContact O-N 3Å; I552-S554 PolarHBondContact O-N 2.94Å; I552-M555 PolarHBondContact O-N 2.91Å; I552-V556 HydrophobicContact CG2-CG2 4.18Å; I552-V556 VanDerWaalsContact O-CG2 3.3Å; I552-V556 WeakPolarHBondContact O-CG2 3.35Å; I552-V556 PolarHBondContact O-N 3.01Å; I552-T575 HydrophobicContact CD1-CG2 4.18Å; I552-T575 HydrophobicContact CG2-CG2 4.05Å; I552-L583 HydrophobicContact CD1-CB 3.93Å; I552-L583 HydrophobicContact CD1-CD1 4.27Å; I552-L583 HydrophobicContact CD1-CD2 4.05Å; I552-L583 HydrophobicContact CD1-CG 4.31Å; I552-A587 HydrophobicContact CB-CB 3.82Å; I552-A587 HydrophobicContact CD1-CB 4.24Å; I552-A587 HydrophobicContact CG2-CB 3.36Å; I552-L662 HydrophobicContact CB-CD1 4.2Å; I552-L662 HydrophobicContact CG1-CD1 3.97Å; I552-L662 HydrophobicContact CG2-CD1 3.82Å; I552-Q666 HydrophobicContact CD1-CG 4.32Å; I552-Q666 HydrophobicContact CG1-CG 3.83Å |
| 553 | C | 97.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.3 | -45.2 | 177.3 | -67.5 | 0 | 0 | 0 | 0 | 111.9 | L549 N550 V551 M555 V556 D557 S591 | L549-C553 WeakPolarHBondContact O-CB 3.46Å; L549-C553 PolarHBondContact O-N 2.91Å; L549-C553 PolarHBondContact O-SG 3.1Å; N550-C553 PolarHBondContact O-N 3.48Å; V551-C553 VanDerWaalsContact C-N 3.33Å; V551-C553 PolarHBondContact O-N 3.26Å; C553-M555 VanDerWaalsContact C-N 3.3Å; C553-M555 PolarHBondContact O-N 3.32Å; C553-V556 PolarHBondContact O-N 3.3Å; C553-D557 WeakPolarHBondContact O-CB 3.43Å; C553-D557 PolarHBondContact O-N 2.9Å; C553-S591 WeakPolarHBondContact CA-OG 3.31Å; C553-S591 PolarHBondContact SG-OG 2.91Å |
| 554 | S | 96.8 | Very high | 94.3 | Very high | 51 Ų | 51 | 33.1 Ų | 33.1 | 36% | 0.357 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -59.1 | -40.9 | 176.3 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | N550 V551 I552 K558 | N550-S554 WeakPolarHBondContact O-CB 3.47Å; N550-S554 PolarHBondContact O-N 2.93Å; V551-S554 WeakPolarHBondContact O-CB 3.37Å; V551-S554 PolarHBondContact O-N 2.84Å; I552-S554 PolarHBondContact O-N 2.94Å; S554-K558 WeakPolarHBondContact O-CD 3.49Å; S554-K558 WeakPolarHBondContact O-CG 3.44Å; S554-K558 PolarHBondContact O-N 3.37Å; S554-K558 PolarHBondContact OG-NZ 2.93Å |
| 555 | M | 96.8 | Very high | 93.2 | Very high | 51 Ų | 51 | 36.5 Ų | 36.5 | 25% | 0.251 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.7 | -46.8 | 176.7 | -69.9 | -173.8 | 169.6 | 0 | 0 | 111.5 | V551 I552 C553 D557 K558 L559 L662 A665 | V551-M555 HydrophobicContact CG1-CE 3.98Å; V551-M555 HydrophobicContact CG1-CG 4.48Å; V551-M555 HydrophobicContact CG1-SD 4.21Å; V551-M555 WeakPolarHBondContact O-CG 2.97Å; V551-M555 PolarHBondContact O-N 3.31Å; I552-M555 PolarHBondContact O-N 2.91Å; C553-M555 VanDerWaalsContact C-N 3.3Å; C553-M555 PolarHBondContact O-N 3.32Å; M555-D557 VanDerWaalsContact C-N 3.29Å; M555-D557 PolarHBondContact O-N 3.48Å; M555-K558 WeakPolarHBondContact O-CB 3.39Å; M555-K558 PolarHBondContact O-N 3.03Å; M555-L559 WeakPolarHBondContact O-CG 3.45Å; M555-L559 PolarHBondContact O-N 3.09Å; M555-L662 HydrophobicContact CB-CD1 4.35Å; M555-L662 HydrophobicContact CB-CD2 4.13Å; M555-L662 HydrophobicContact SD-CB 4.02Å; M555-L662 HydrophobicContact SD-CD1 3.96Å; M555-L662 HydrophobicContact SD-CD2 3.61Å; M555-L662 HydrophobicContact SD-CG 4.05Å; M555-A665 HydrophobicContact CE-CB 3.37Å |
| 556 | V | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.5 | -39.6 | 177.5 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | I552 C553 K558 L559 K560 V573 I627 | I552-V556 HydrophobicContact CG2-CG2 4.18Å; I552-V556 VanDerWaalsContact O-CG2 3.3Å; I552-V556 WeakPolarHBondContact O-CG2 3.35Å; I552-V556 PolarHBondContact O-N 3.01Å; C553-V556 PolarHBondContact O-N 3.3Å; V556-K558 VanDerWaalsContact C-N 3.35Å; V556-K558 PolarHBondContact O-N 3.4Å; V556-L559 CarbonylContact O-C 3.53Å; V556-L559 WeakPolarHBondContact O-CB 3.31Å; V556-L559 PolarHBondContact O-N 3.2Å; V556-L559 VanDerWaalsContact O-N 3.11Å; V556-K560 WeakPolarHBondContact O-CG 3.31Å; V556-K560 PolarHBondContact O-N 3.49Å; V556-V573 HydrophobicContact CG2-CG1 4.26Å; V556-V573 HydrophobicContact CG2-CG2 4.43Å; V556-I627 HydrophobicContact CG1-CD1 3.84Å; V556-I627 HydrophobicContact CG1-CG2 4.14Å |
| 557 | D | 95 | Very high | 91.1 | Very high | 21 Ų | 21 | 46.7 Ų | 46.7 | 11% | 0.112 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 177.4 | -69.5 | -25.4 | 0 | 0 | 0 | 112.5 | Q73 R305 C553 M555 L559 K560 Q561 | Q73-D557 HydrophobicContact CB-CB 4.44Å; Q73-D557 VanDerWaalsContact CB-CG 3.46Å; Q73-D557 WeakPolarHBondContact CB-OD1 3.42Å; Q73-D557 WeakPolarHBondContact CB-OD2 3.4Å; R305-D557 IonicContact CZ-OD2 3.52Å; R305-D557 VanDerWaalsContact CZ-OD2 3.23Å; R305-D557 IonicContact NH1-OD1 3.97Å; R305-D557 PolarHBondContact NH1-OD1 3Å; R305-D557 IonicContact NH1-OD2 2.74Å; R305-D557 PolarHBondContact NH1-OD2 3.34Å; R305-D557 IonicContact NH2-OD2 3.49Å; R305-D557 PolarHBondContact NH2-OD2 3.22Å; C553-D557 WeakPolarHBondContact O-CB 3.43Å; C553-D557 PolarHBondContact O-N 2.9Å; M555-D557 VanDerWaalsContact C-N 3.29Å; M555-D557 PolarHBondContact O-N 3.48Å; D557-L559 VanDerWaalsContact C-N 3.32Å; D557-L559 PolarHBondContact O-N 3.46Å; D557-K560 WeakPolarHBondContact O-CB 3.23Å; D557-K560 PolarHBondContact O-N 3.19Å; D557-K560 IonicContact OD1-NZ 3.51Å; D557-K560 PolarHBondContact OD1-NZ 3.09Å; D557-Q561 PolarHBondContact O-N 3.13Å |
| 558 | K | 94 | Very high | 90.6 | Very high | 128 Ų | 128 | 49 Ų | 49 | 56% | 0.557 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.7 | -38 | 172.2 | -68.4 | 162.3 | -176 | 159.8 | 0 | 111.6 | S554 M555 V556 Q561 S562 | S554-K558 WeakPolarHBondContact O-CD 3.49Å; S554-K558 WeakPolarHBondContact O-CG 3.44Å; S554-K558 PolarHBondContact O-N 3.37Å; S554-K558 PolarHBondContact OG-NZ 2.93Å; M555-K558 WeakPolarHBondContact O-CB 3.39Å; M555-K558 PolarHBondContact O-N 3.03Å; V556-K558 VanDerWaalsContact C-N 3.35Å; V556-K558 PolarHBondContact O-N 3.4Å; K558-Q561 PolarHBondContact O-N 3.37Å; K558-S562 PolarHBondContact O-N 2.93Å |
| 559 | L | 92.7 | Very high | 90.3 | Very high | 20 Ų | 20 | 51 Ų | 51 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 175.2 | -63.6 | 177.8 | 0 | 0 | 0 | 112 | M555 V556 D557 Q561 S562 A563 F571 V573 N660 | M555-L559 WeakPolarHBondContact O-CG 3.45Å; M555-L559 PolarHBondContact O-N 3.09Å; V556-L559 CarbonylContact O-C 3.53Å; V556-L559 WeakPolarHBondContact O-CB 3.31Å; V556-L559 PolarHBondContact O-N 3.2Å; V556-L559 VanDerWaalsContact O-N 3.11Å; D557-L559 VanDerWaalsContact C-N 3.32Å; D557-L559 PolarHBondContact O-N 3.46Å; L559-Q561 VanDerWaalsContact C-N 3.3Å; L559-Q561 PolarHBondContact O-N 3.39Å; L559-S562 WeakPolarHBondContact O-CB 3.46Å; L559-S562 PolarHBondContact O-N 3.25Å; L559-A563 PolarHBondContact O-N 3.49Å; L559-F571 HydrophobicContact CB-CD2 4.3Å; L559-F571 HydrophobicContact CB-CE2 4.41Å; L559-F571 HydrophobicContact CB-CG 4.41Å; L559-F571 HydrophobicContact CD1-CD1 4.49Å; L559-F571 HydrophobicContact CD2-CD1 4.28Å; L559-F571 HydrophobicContact CD2-CE1 4.02Å; L559-F571 HydrophobicContact CD2-CZ 4.36Å; L559-F571 WeakPolarHBondContact O-CE2 3.37Å; L559-V573 HydrophobicContact CD1-CG2 3.55Å; L559-N660 HydrophobicContact CD1-CB 3.99Å; L559-N660 WeakPolarHBondContact CD2-ND2 3.37Å |
| 560 | K | 90.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.4 | -44.7 | 172.3 | -67.4 | 176.3 | -171.7 | 159.2 | 0 | 111.3 | V556 D557 S562 A563 R564 S591 I627 | V556-K560 WeakPolarHBondContact O-CG 3.31Å; V556-K560 PolarHBondContact O-N 3.49Å; D557-K560 WeakPolarHBondContact O-CB 3.23Å; D557-K560 PolarHBondContact O-N 3.19Å; D557-K560 IonicContact OD1-NZ 3.51Å; D557-K560 PolarHBondContact OD1-NZ 3.09Å; K560-S562 VanDerWaalsContact C-N 3.32Å; K560-S562 PolarHBondContact O-N 3.03Å; K560-A563 WeakPolarHBondContact O-CB 3.36Å; K560-A563 PolarHBondContact O-N 3.46Å; K560-A563 VanDerWaalsContact O-N 3.16Å; K560-R564 PolarHBondContact O-N 3.14Å; K560-R564 VanDerWaalsContact O-N 3.13Å; K560-S591 WeakPolarHBondContact CE-O 3.33Å; K560-S591 PolarHBondContact NZ-O 2.99Å; K560-I627 HydrophobicContact CB-CD1 4.49Å; K560-I627 HydrophobicContact CD-CD1 4.48Å; K560-I627 HydrophobicContact CG-CD1 3.4Å; K560-I627 VanDerWaalsContact CG-CD1 3.4Å |
| 561 | Q | 88.2 | Confident | 90 | Very high | 147 Ų | 147 | 49.6 Ų | 49.6 | 69% | 0.687 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.9 | -42.5 | 177.9 | -172.5 | 177.3 | 3.8 | 0 | 0 | 111.2 | D557 K558 L559 A563 R564 | D557-Q561 PolarHBondContact O-N 3.13Å; K558-Q561 PolarHBondContact O-N 3.37Å; L559-Q561 VanDerWaalsContact C-N 3.3Å; L559-Q561 PolarHBondContact O-N 3.39Å; Q561-A563 VanDerWaalsContact C-N 3.32Å; Q561-A563 PolarHBondContact O-N 3.31Å; Q561-R564 PolarHBondContact O-N 2.65Å |
| 562 | S | 88.3 | Confident | 90 | Very high | 63 Ų | 63 | 48.1 Ų | 48.1 | 44% | 0.441 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.6 | -40.4 | 173.2 | -177.5 | 0 | 0 | 0 | 0 | 112.3 | K558 L559 K560 R564 G565 | K558-S562 PolarHBondContact O-N 2.93Å; L559-S562 WeakPolarHBondContact O-CB 3.46Å; L559-S562 PolarHBondContact O-N 3.25Å; K560-S562 VanDerWaalsContact C-N 3.32Å; K560-S562 PolarHBondContact O-N 3.03Å; S562-R564 VanDerWaalsContact C-N 3.31Å; S562-R564 PolarHBondContact O-N 3.06Å; S562-G565 PolarHBondContact O-N 3.48Å |
| 563 | A | 84.3 | Confident | 90 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62 | -35.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L559 K560 Q561 G565 T566 R569 F571 R625 | L559-A563 PolarHBondContact O-N 3.49Å; K560-A563 WeakPolarHBondContact O-CB 3.36Å; K560-A563 PolarHBondContact O-N 3.46Å; K560-A563 VanDerWaalsContact O-N 3.16Å; Q561-A563 VanDerWaalsContact C-N 3.32Å; Q561-A563 PolarHBondContact O-N 3.31Å; A563-G565 PolarHBondContact O-N 3.25Å; A563-T566 CarbonylContact O-C 3.45Å; A563-T566 PolarHBondContact O-N 2.79Å; A563-R569 HydrophobicContact CB-CB 4.5Å; A563-F571 HydrophobicContact CB-CD2 4.36Å; A563-F571 HydrophobicContact CB-CE2 3.87Å; A563-R625 HydrophobicContact CB-CB 3.67Å |
| 564 | R | 77.3 | Confident | 90 | Very high | 126 Ų | 126 | 49.9 Ų | 49.9 | 48% | 0.475 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62 | -28.6 | 178.9 | -71.1 | -177.7 | 176.4 | -177.1 | 1.6 | 113.4 | D70 Y74 K560 Q561 S562 T566 | D70-R564 IonicContact OD2-CZ 2.88Å; D70-R564 IonicContact OD2-NE 3.65Å; D70-R564 PolarHBondContact OD2-NE 3.22Å; D70-R564 IonicContact OD2-NH2 3.66Å; D70-R564 PolarHBondContact OD2-NH2 3.23Å; Y74-R564 PolarHBondContact OH-NH1 2.75Å; Y74-R564 PolarHBondContact OH-NH2 2.83Å; K560-R564 PolarHBondContact O-N 3.14Å; K560-R564 VanDerWaalsContact O-N 3.13Å; Q561-R564 PolarHBondContact O-N 2.65Å; S562-R564 VanDerWaalsContact C-N 3.31Å; S562-R564 PolarHBondContact O-N 3.06Å; R564-T566 VanDerWaalsContact C-N 3.29Å; R564-T566 PolarHBondContact O-N 3.42Å |
| 565 | G | 75.2 | Confident | 90.1 | Very high | 71 Ų | 71 | 47.5 Ų | 47.5 | 73% | 0.732 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -10 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | S562 A563 | S562-G565 PolarHBondContact O-N 3.48Å; A563-G565 PolarHBondContact O-N 3.25Å |
| 566 | T | 75.3 | Confident | 90.1 | Very high | 50 Ų | 50 | 46.5 Ų | 46.5 | 31% | 0.307 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -133.9 | 119.8 | 179.2 | -41.1 | 0 | 0 | 0 | 0 | 111 | A563 R564 H568 R569 | A563-T566 CarbonylContact O-C 3.45Å; A563-T566 PolarHBondContact O-N 2.79Å; R564-T566 VanDerWaalsContact C-N 3.29Å; R564-T566 PolarHBondContact O-N 3.42Å; T566-H568 PolarHBondContact O-N 3.05Å; T566-R569 VanDerWaalsContact CB-CZ 3.49Å; T566-R569 VanDerWaalsContact CG2-CZ 3.48Å; T566-R569 PolarHBondContact OG1-NH1 3Å |
| 567 | K | 75.5 | Confident | 90.1 | Very high | 171 Ų | 171 | 46.5 Ų | 46.5 | 74% | 0.743 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -56.7 | 136.7 | 178.7 | -65.9 | -172.3 | 177.3 | -176.8 | 0 | 110.9 | ||
| 568 | H | 88 | Confident | 90.2 | Very high | 56 Ų | 56 | 46.5 Ų | 46.5 | 26% | 0.259 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 56 | 71.6 | 170.2 | -58.6 | 179.8 | 0 | 0 | 0 | 113.9 | T566 M619 Q624 Q654 F655 S656 | T566-H568 PolarHBondContact O-N 3.05Å; H568-M619 HydrophobicContact CB-CE 4.48Å; H568-M619 HydrophobicContact CB-SD 3.54Å; H568-M619 VanDerWaalsContact CB-SD 3.54Å; H568-Q624 VanDerWaalsContact CA-O 3.28Å; H568-Q624 WeakPolarHBondContact CA-O 3.5Å; H568-Q624 PolarHBondContact N-O 3.27Å; H568-Q654 WeakPolarHBondContact CB-O 3.37Å; H568-Q654 PolarHBondContact ND1-O 2.98Å; H568-F655 HydrophobicContact CB-CB 4.11Å; H568-F655 VanDerWaalsContact O-CA 3.31Å; H568-F655 WeakPolarHBondContact O-CA 3.41Å; H568-F655 WeakPolarHBondContact O-CB 3.28Å; H568-S656 PolarHBondContact O-N 3.32Å |
| 569 | R | 91.9 | Very high | 90.4 | Very high | 42 Ų | 42 | 44.5 Ų | 44.5 | 16% | 0.158 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.9 | -179.9 | -174.3 | 157.1 | -72.1 | 165.7 | 1.7 | 113.7 | A563 T566 F571 Q624 R625 Y626 S656 | A563-R569 HydrophobicContact CB-CB 4.5Å; T566-R569 VanDerWaalsContact CB-CZ 3.49Å; T566-R569 VanDerWaalsContact CG2-CZ 3.48Å; T566-R569 PolarHBondContact OG1-NH1 3Å; R569-F571 HydrophobicContact CG-CD2 4.16Å; R569-F571 HydrophobicContact CG-CE2 3.75Å; R569-F571 HydrophobicContact CG-CZ 4.11Å; R569-Q624 PolarHBondContact N-O 2.94Å; R569-Q624 VanDerWaalsContact N-O 3.14Å; R569-R625 CarbonylContact O-C 3.58Å; R569-R625 VanDerWaalsContact O-CA 3.25Å; R569-R625 WeakPolarHBondContact O-CA 3.22Å; R569-Y626 PolarHBondContact O-N 3.4Å; R569-S656 WeakPolarHBondContact CA-O 3.26Å; R569-S656 PolarHBondContact NE-OG 3.02Å; R569-S656 VanDerWaalsContact NE-OG 3.16Å |
| 570 | V | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 132.7 | 173.7 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | I615 M619 Y626 F647 F655 S656 T657 R658 | V570-I615 HydrophobicContact CG1-CD1 4.27Å; V570-I615 HydrophobicContact CG2-CD1 4.38Å; V570-I615 HydrophobicContact CG2-CG2 3.67Å; V570-M619 HydrophobicContact CG2-CE 3.82Å; V570-Y626 CarbonylContact C-O 3.5Å; V570-Y626 VanDerWaalsContact CA-O 3.29Å; V570-Y626 WeakPolarHBondContact CA-O 3.46Å; V570-Y626 HydrophobicContact CG1-CD1 4.21Å; V570-F647 HydrophobicContact CG1-CD2 3.88Å; V570-F647 HydrophobicContact CG1-CE2 4.07Å; V570-F655 HydrophobicContact CB-CD2 4.3Å; V570-F655 HydrophobicContact CG2-CB 4.22Å; V570-F655 HydrophobicContact CG2-CD2 3.31Å; V570-F655 HydrophobicContact CG2-CE2 3.7Å; V570-F655 HydrophobicContact CG2-CG 3.81Å; V570-F655 HydrophobicContact CG2-CZ 4.48Å; V570-S656 PolarHBondContact N-O 2.91Å; V570-T657 HydrophobicContact CB-CG2 4.3Å; V570-T657 HydrophobicContact CG1-CG2 4.35Å; V570-T657 CarbonylContact O-C 3.52Å; V570-T657 WeakPolarHBondContact O-CA 3.23Å; V570-R658 PolarHBondContact O-N 3.31Å |
| 571 | F | 95.9 | Very high | 91 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 4% | 0.039 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 129.1 | 171.1 | -76.2 | -75.9 | 0 | 0 | 0 | 110.9 | L559 A563 R569 V573 Y626 I627 V628 R658 N660 | L559-F571 HydrophobicContact CB-CD2 4.3Å; L559-F571 HydrophobicContact CB-CE2 4.41Å; L559-F571 HydrophobicContact CB-CG 4.41Å; L559-F571 HydrophobicContact CD1-CD1 4.49Å; L559-F571 HydrophobicContact CD2-CD1 4.28Å; L559-F571 HydrophobicContact CD2-CE1 4.02Å; L559-F571 HydrophobicContact CD2-CZ 4.36Å; L559-F571 WeakPolarHBondContact O-CE2 3.37Å; A563-F571 HydrophobicContact CB-CD2 4.36Å; A563-F571 HydrophobicContact CB-CE2 3.87Å; R569-F571 HydrophobicContact CG-CD2 4.16Å; R569-F571 HydrophobicContact CG-CE2 3.75Å; R569-F571 HydrophobicContact CG-CZ 4.11Å; F571-V573 HydrophobicContact CB-CG2 4.4Å; F571-Y626 PolarHBondContact N-O 3.14Å; F571-I627 HydrophobicContact CB-CG1 4.43Å; F571-V628 PolarHBondContact O-N 3.48Å; F571-R658 CarbonylContact C-O 3.48Å; F571-R658 WeakPolarHBondContact CA-O 3.29Å; F571-R658 HydrophobicContact CD1-CB 3.7Å; F571-R658 HydrophobicContact CE1-CB 3.6Å; F571-R658 HydrophobicContact CE1-CG 4.3Å; F571-N660 WeakPolarHBondContact CD1-ND2 3.43Å |
| 572 | I | 97.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 114.3 | 166.5 | -52.8 | 174.8 | 0 | 0 | 0 | 107.2 | V628 R630 T640 M643 F647 T657 R658 I659 N660 | I572-V628 HydrophobicContact CG1-CB 4.43Å; I572-V628 HydrophobicContact CG2-CG1 4.3Å; I572-R630 HydrophobicContact CG2-CB 4.29Å; I572-T640 HydrophobicContact CG2-CG2 4.05Å; I572-M643 HydrophobicContact CD1-CB 3.75Å; I572-F647 HydrophobicContact CD1-CD2 3.94Å; I572-F647 HydrophobicContact CD1-CE2 4.19Å; I572-F647 HydrophobicContact CD1-CG 4.48Å; I572-F647 HydrophobicContact CG1-CD2 4.3Å; I572-F647 HydrophobicContact CG1-CE2 4.32Å; I572-T657 HydrophobicContact CD1-CG2 4.02Å; I572-T657 HydrophobicContact CG1-CG2 4.21Å; I572-R658 PolarHBondContact N-O 3.32Å; I572-I659 HydrophobicContact CB-CG2 4.28Å; I572-I659 CarbonylContact O-C 3.54Å; I572-I659 VanDerWaalsContact O-CA 3.31Å; I572-I659 WeakPolarHBondContact O-CA 3.44Å; I572-N660 PolarHBondContact O-N 3.02Å |
| 573 | V | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 109.5 | -176 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | V556 L559 F571 I627 V628 T629 R630 N660 L662 | V556-V573 HydrophobicContact CG2-CG1 4.26Å; V556-V573 HydrophobicContact CG2-CG2 4.43Å; L559-V573 HydrophobicContact CD1-CG2 3.55Å; F571-V573 HydrophobicContact CB-CG2 4.4Å; V573-I627 HydrophobicContact CG2-CG2 4.32Å; V573-V628 PolarHBondContact N-O 3.06Å; V573-T629 CarbonylContact O-C 3.56Å; V573-T629 WeakPolarHBondContact O-CA 3.48Å; V573-R630 PolarHBondContact O-N 2.82Å; V573-N660 CarbonylContact C-O 3.58Å; V573-N660 WeakPolarHBondContact CA-O 3.33Å; V573-L662 HydrophobicContact CG1-CD1 3.72Å; V573-L662 HydrophobicContact CG1-CD2 3.83Å; V573-L662 HydrophobicContact CG1-CG 3.75Å |
| 574 | E | 98.5 | Very high | 92.5 | Very high | 38 Ų | 38 | 33.7 Ų | 33.7 | 18% | 0.178 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 119.6 | 177.2 | -170.9 | -179.7 | 104.3 | 0 | 0 | 110.2 | R630 E632 T640 N660 V661 L662 | E574-R630 CarbonylContact C-O 3.59Å; E574-R630 VanDerWaalsContact CA-O 3.27Å; E574-R630 WeakPolarHBondContact CA-O 3.41Å; E574-R630 IonicContact OE2-NH1 2.75Å; E574-R630 PolarHBondContact OE2-NH1 3.37Å; E574-E632 HydrophobicContact CG-CB 4.27Å; E574-T640 HydrophobicContact CB-CG2 4.49Å; E574-T640 VanDerWaalsContact OE2-CB 3.28Å; E574-T640 WeakPolarHBondContact OE2-CB 3.33Å; E574-T640 PolarHBondContact OE2-OG1 3.44Å; E574-N660 PolarHBondContact N-O 3.49Å; E574-V661 HydrophobicContact CB-CB 4.45Å; E574-V661 HydrophobicContact CB-CG1 4.45Å; E574-V661 HydrophobicContact CB-CG2 4.1Å; E574-V661 WeakPolarHBondContact OE1-CG1 3.47Å; E574-L662 PolarHBondContact O-N 3.45Å |
| 575 | T | 98.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 151.6 | 174.6 | 67.1 | 0 | 0 | 0 | 0 | 110.2 | I552 A584 R630 E632 Q666 | I552-T575 HydrophobicContact CD1-CG2 4.18Å; I552-T575 HydrophobicContact CG2-CG2 4.05Å; T575-A584 WeakPolarHBondContact OG1-CB 3.41Å; T575-A584 PolarHBondContact OG1-N 3.49Å; T575-R630 PolarHBondContact N-O 2.9Å; T575-R630 PolarHBondContact OG1-O 3.46Å; T575-E632 PolarHBondContact O-N 2.99Å; T575-Q666 VanDerWaalsContact CA-OE1 3.26Å |
| 576 | M | 98 | Very high | 94.6 | Very high | 30 Ų | 30 | 24.4 Ų | 24.4 | 15% | 0.148 | 12% | 0.116 | C | C | . | . | trans | -69.1 | 175 | 166.2 | -76.5 | 173.6 | 86.7 | 0 | 0 | 109.8 | I532 G663 Q666 | I532-M576 HydrophobicContact CD1-CB 4.15Å; I532-M576 HydrophobicContact CD1-CE 4.35Å; I532-M576 HydrophobicContact CD1-SD 4.01Å; M576-G663 VanDerWaalsContact SD-O 3.37Å; M576-Q666 VanDerWaalsContact CG-NE2 3.26Å; M576-Q666 HydrophobicContact SD-CB 4.47Å | ||
| 577 | G | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | 150.4 | -6.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y579 C580 E632 | G577-Y579 PolarHBondContact O-N 3.01Å; G577-C580 VanDerWaalsContact O-CB 3.27Å; G577-C580 WeakPolarHBondContact O-CB 3.41Å; G577-C580 PolarHBondContact O-N 3.45Å; G577-E632 PolarHBondContact N-OE1 2.78Å | ||
| 578 | G | 96.7 | Very high | 96.7 | Very high | 21 Ų | 21 | 13.9 Ų | 13.9 | 22% | 0.216 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | -124.3 | -162.9 | 0 | 0 | 0 | 0 | 0 | 109 | C580 C631 E632 N633 | G578-C580 VanDerWaalsContact C-N 3.34Å; G578-C631 PolarHBondContact O-SG 3.43Å; G578-E632 WeakPolarHBondContact CA-OE1 3.42Å; G578-E632 PolarHBondContact N-OE1 2.79Å; G578-N633 VanDerWaalsContact O-CB 3.26Å; G578-N633 WeakPolarHBondContact O-CB 3.44Å; G578-N633 PolarHBondContact O-N 2.87Å |
| 579 | Y | 97.4 | Very high | 97.1 | Very high | 85 Ų | 85 | 11.4 Ų | 11.4 | 33% | 0.333 | 5% | 0.054 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -1.8 | 173.2 | -65.3 | -81.6 | 0 | 0 | 0 | 113.4 | G577 F599 N633 H738 | G577-Y579 PolarHBondContact O-N 3.01Å; Y579-F599 HydrophobicContact CD1-CB 4.47Å; Y579-F599 HydrophobicContact CD1-CD1 4.19Å; Y579-F599 AromaticContact CD1-CD2 3.6Å; Y579-F599 HydrophobicContact CD1-CD2 3.6Å; Y579-F599 HydrophobicContact CD1-CE1 4.32Å; Y579-F599 AromaticContact CD1-CE2 3.75Å; Y579-F599 HydrophobicContact CD1-CE2 3.75Å; Y579-F599 AromaticContact CD1-CG 3.83Å; Y579-F599 HydrophobicContact CD1-CG 3.83Å; Y579-F599 HydrophobicContact CD1-CZ 4.11Å; Y579-F599 HydrophobicContact CE1-CD2 4.22Å; Y579-F599 HydrophobicContact CE1-CE2 4.11Å; Y579-F599 HydrophobicContact CG-CG 4.49Å; Y579-F599 VanDerWaalsContact O-CB 3.31Å; Y579-F599 WeakPolarHBondContact O-CB 3.44Å; Y579-N633 HydrophobicContact CD1-CB 3.59Å; Y579-N633 HydrophobicContact CE1-CB 3.65Å; Y579-N633 HydrophobicContact CG-CB 4.07Å; Y579-H738 HydrophobicContact CD2-CB 3.98Å; Y579-H738 WeakPolarHBondContact CD2-O 3.43Å; Y579-H738 AromaticContact CE1-CD2 3.96Å; Y579-H738 HydrophobicContact CG-CB 3.98Å |
| 580 | C | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | trans | -88.8 | 115 | -178.4 | -173.2 | 0 | 0 | 0 | 0 | 110.7 | S533 N535 G577 G578 Y582 E600 C631 L740 | S533-C580 PolarHBondContact O-SG 3.29Å; N535-C580 HydrophobicContact CB-CB 3.78Å; G577-C580 VanDerWaalsContact O-CB 3.27Å; G577-C580 WeakPolarHBondContact O-CB 3.41Å; G577-C580 PolarHBondContact O-N 3.45Å; G578-C580 VanDerWaalsContact C-N 3.34Å; C580-Y582 PolarHBondContact O-N 3.15Å; C580-Y582 VanDerWaalsContact SG-CB 3.56Å; C580-E600 WeakPolarHBondContact CA-OE1 3.44Å; C580-C631 PolarHBondContact O-SG 3.5Å; C580-L740 HydrophobicContact CB-CD2 3.56Å | ||
| 581 | G | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 4.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L583 A584 T585 E600 | G581-L583 PolarHBondContact O-N 3.11Å; G581-A584 PolarHBondContact O-N 3.5Å; G581-T585 WeakPolarHBondContact O-CB 3.35Å; G581-T585 PolarHBondContact O-N 3.12Å; G581-T585 PolarHBondContact O-OG1 2.56Å; G581-E600 WeakPolarHBondContact CA-OE2 3.12Å; G581-E600 PolarHBondContact N-OE1 3.48Å; G581-E600 PolarHBondContact N-OE2 3.01Å |
| 582 | Y | 98 | Very high | 97.3 | Very high | 6 Ų | 6 | 9.4 Ų | 9.4 | 2% | 0.024 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -52.9 | -53.6 | -175.4 | 175 | -93.5 | 0 | 0 | 0 | 112.5 | N534 L549 C580 T585 L586 W745 W746 | N534-Y582 HydrophobicContact CB-CD1 3.6Å; N534-Y582 HydrophobicContact CB-CD2 3.98Å; N534-Y582 HydrophobicContact CB-CE1 3.83Å; N534-Y582 HydrophobicContact CB-CE2 4.15Å; N534-Y582 HydrophobicContact CB-CG 3.7Å; N534-Y582 WeakPolarHBondContact ND2-CD2 3.36Å; N534-Y582 WeakPolarHBondContact ND2-CE2 3.46Å; L549-Y582 HydrophobicContact CD1-CE1 3.97Å; L549-Y582 HydrophobicContact CG-CE1 4.38Å; C580-Y582 PolarHBondContact O-N 3.15Å; C580-Y582 VanDerWaalsContact SG-CB 3.56Å; Y582-T585 PolarHBondContact O-N 3.33Å; Y582-L586 HydrophobicContact CD1-CD1 4.13Å; Y582-L586 HydrophobicContact CD2-CD1 3.46Å; Y582-L586 VanDerWaalsContact CD2-CD1 3.46Å; Y582-L586 HydrophobicContact CE1-CD1 3.71Å; Y582-L586 HydrophobicContact CE2-CD1 3Å; Y582-L586 HydrophobicContact CE2-CG 4.35Å; Y582-L586 HydrophobicContact CG-CD1 4.02Å; Y582-L586 WeakPolarHBondContact O-CB 3.42Å; Y582-L586 PolarHBondContact O-N 2.84Å; Y582-L586 WeakPolarHBondContact OH-CD1 3.44Å; Y582-W745 AromaticContact CE2-CZ2 3.98Å; Y582-W745 HydrophobicContact CE2-CZ2 3.98Å; Y582-W746 HydrophobicContact CD2-CB 4.18Å; Y582-W746 AromaticContact CD2-CD1 3.5Å; Y582-W746 VanDerWaalsContact CD2-CD1 3.5Å; Y582-W746 HydrophobicContact CD2-CD2 4.18Å; Y582-W746 AromaticContact CD2-CG 3.68Å; Y582-W746 HydrophobicContact CD2-CG 3.68Å; Y582-W746 AromaticContact CD2-NE1 3.83Å; Y582-W746 HydrophobicContact CE2-CG 4.45Å; Y582-W746 VanDerWaalsContact N-CH2 3.3Å; Y582-W746 VanDerWaalsContact N-CZ2 3.32Å |
| 583 | L | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -65 | -45.9 | -177.9 | -70.6 | 179.4 | 0 | 0 | 0 | 111.5 | I532 A548 L549 I552 G581 T585 A587 | I532-L583 HydrophobicContact CB-CD1 4.35Å; I532-L583 HydrophobicContact CD1-CD1 4.38Å; I532-L583 HydrophobicContact CG1-CD1 4.28Å; I532-L583 WeakPolarHBondContact O-CD1 3.42Å; I532-L583 WeakPolarHBondContact O-CD2 3.38Å; I532-L583 WeakPolarHBondContact O-CG 3.21Å; A548-L583 HydrophobicContact CB-CD1 4.47Å; A548-L583 HydrophobicContact CB-CD2 3.93Å; L549-L583 HydrophobicContact CD2-CD2 3.82Å; L549-L583 HydrophobicContact CG-CD2 4.01Å; I552-L583 HydrophobicContact CD1-CB 3.93Å; I552-L583 HydrophobicContact CD1-CD1 4.27Å; I552-L583 HydrophobicContact CD1-CD2 4.05Å; I552-L583 HydrophobicContact CD1-CG 4.31Å; G581-L583 PolarHBondContact O-N 3.11Å; L583-T585 VanDerWaalsContact C-N 3.34Å; L583-T585 PolarHBondContact O-N 3.17Å; L583-A587 WeakPolarHBondContact O-CB 3.27Å; L583-A587 PolarHBondContact O-N 2.99Å |
| 584 | A | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -59.1 | -45.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T575 G581 G588 I598 T629 C631 | T575-A584 WeakPolarHBondContact OG1-CB 3.41Å; T575-A584 PolarHBondContact OG1-N 3.49Å; G581-A584 PolarHBondContact O-N 3.5Å; A584-G588 WeakPolarHBondContact O-CA 3.32Å; A584-G588 PolarHBondContact O-N 2.8Å; A584-I598 HydrophobicContact CB-CG2 3.91Å; A584-T629 WeakPolarHBondContact O-CB 3.34Å; A584-T629 PolarHBondContact O-OG1 3.02Å; A584-C631 HydrophobicContact CB-CB 4.07Å |
| 585 | T | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -70.4 | -52.9 | -176.6 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | G581 Y582 L583 G588 L589 W746 H750 L753 | G581-T585 WeakPolarHBondContact O-CB 3.35Å; G581-T585 PolarHBondContact O-N 3.12Å; G581-T585 PolarHBondContact O-OG1 2.56Å; Y582-T585 PolarHBondContact O-N 3.33Å; L583-T585 VanDerWaalsContact C-N 3.34Å; L583-T585 PolarHBondContact O-N 3.17Å; T585-G588 PolarHBondContact O-N 3.3Å; T585-L589 PolarHBondContact O-N 3.14Å; T585-W746 HydrophobicContact CG2-CE3 4.22Å; T585-W746 HydrophobicContact CG2-CZ3 4.43Å; T585-W746 WeakPolarHBondContact OG1-CZ3 3.38Å; T585-H750 HydrophobicContact CG2-CB 4.05Å; T585-L753 WeakPolarHBondContact O-CD1 3.32Å |
| 586 | L | 97.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 8.7 Ų | 8.7 | 2% | 0.016 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -72 | -41.5 | -175.5 | -75.9 | 171.6 | 0 | 0 | 0 | 112.4 | L306 L549 Y582 G588 L589 A590 L749 | L306-L586 HydrophobicContact CD1-CB 4.24Å; L306-L586 HydrophobicContact CD1-CD2 3.98Å; L306-L586 HydrophobicContact CD2-CB 4.42Å; L306-L586 HydrophobicContact CD2-CD2 3.68Å; L306-L586 HydrophobicContact CG-CD2 4.46Å; L549-L586 HydrophobicContact CD1-CB 4.24Å; L549-L586 HydrophobicContact CD1-CD1 4.23Å; L549-L586 HydrophobicContact CD2-CB 3.71Å; Y582-L586 HydrophobicContact CD1-CD1 4.13Å; Y582-L586 HydrophobicContact CD2-CD1 3.46Å; Y582-L586 VanDerWaalsContact CD2-CD1 3.46Å; Y582-L586 HydrophobicContact CE1-CD1 3.71Å; Y582-L586 HydrophobicContact CE2-CD1 3Å; Y582-L586 HydrophobicContact CE2-CG 4.35Å; Y582-L586 HydrophobicContact CG-CD1 4.02Å; Y582-L586 WeakPolarHBondContact O-CB 3.42Å; Y582-L586 PolarHBondContact O-N 2.84Å; Y582-L586 WeakPolarHBondContact OH-CD1 3.44Å; L586-G588 VanDerWaalsContact C-N 3.25Å; L586-G588 PolarHBondContact O-N 2.85Å; L586-L589 PolarHBondContact O-N 2.73Å; L586-A590 VanDerWaalsContact O-CB 3.27Å; L586-A590 WeakPolarHBondContact O-CB 3.3Å; L586-A590 PolarHBondContact O-N 2.78Å; L586-L749 HydrophobicContact CD2-CD1 3.54Å |
| 587 | A | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -66 | -34.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | L549 I552 L583 S591 | L549-A587 HydrophobicContact CD2-CB 3.95Å; I552-A587 HydrophobicContact CB-CB 3.82Å; I552-A587 HydrophobicContact CD1-CB 4.24Å; I552-A587 HydrophobicContact CG2-CB 3.36Å; L583-A587 WeakPolarHBondContact O-CB 3.27Å; L583-A587 PolarHBondContact O-N 2.99Å; A587-S591 WeakPolarHBondContact O-CB 3.33Å; A587-S591 PolarHBondContact O-N 3.36Å; A587-S591 PolarHBondContact O-OG 3.05Å |
| 588 | G | 96.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -58.2 | -48.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A584 T585 L586 S591 G592 A593 | A584-G588 WeakPolarHBondContact O-CA 3.32Å; A584-G588 PolarHBondContact O-N 2.8Å; T585-G588 PolarHBondContact O-N 3.3Å; L586-G588 VanDerWaalsContact C-N 3.25Å; L586-G588 PolarHBondContact O-N 2.85Å; G588-S591 PolarHBondContact O-N 3.5Å; G588-G592 PolarHBondContact O-N 2.89Å; G588-A593 WeakPolarHBondContact O-CB 3.28Å; G588-A593 PolarHBondContact O-N 2.9Å |
| 589 | L | 97 | Very high | 96.6 | Very high | 3 Ų | 3 | 9.8 Ų | 9.8 | 2% | 0.016 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -64.6 | -49.3 | 178.9 | 177.9 | 59.3 | 0 | 0 | 0 | 111.5 | L306 T585 L586 S591 G592 L749 L752 L753 L756 | L306-L589 HydrophobicContact CD2-CB 3.97Å; L306-L589 HydrophobicContact CD2-CD2 3.73Å; L306-L589 HydrophobicContact CD2-CG 3.83Å; T585-L589 PolarHBondContact O-N 3.14Å; L586-L589 PolarHBondContact O-N 2.73Å; L589-S591 PolarHBondContact O-N 2.76Å; L589-G592 PolarHBondContact O-N 3.47Å; L589-G592 VanDerWaalsContact O-N 3.12Å; L589-L749 HydrophobicContact CD2-CB 4.28Å; L589-L752 HydrophobicContact CD1-CD2 4.46Å; L589-L752 HydrophobicContact CD1-CG 4.26Å; L589-L752 HydrophobicContact CD2-CD2 4.23Å; L589-L753 HydrophobicContact CB-CB 4.41Å; L589-L753 HydrophobicContact CB-CD1 4.31Å; L589-L753 HydrophobicContact CD1-CB 4.35Å; L589-L756 HydrophobicContact CD1-CD1 3.7Å |
| 590 | A | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -66.8 | -26.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I72 R305 L306 L586 | I72-A590 VanDerWaalsContact CD1-O 3.31Å; I72-A590 WeakPolarHBondContact CD1-O 3.42Å; R305-A590 HydrophobicContact CB-CB 4.12Å; R305-A590 WeakPolarHBondContact CD-O 3.41Å; L306-A590 HydrophobicContact CD1-CB 4.36Å; L306-A590 HydrophobicContact CD2-CB 3.88Å; L306-A590 HydrophobicContact CG-CB 3.74Å; L586-A590 VanDerWaalsContact O-CB 3.27Å; L586-A590 WeakPolarHBondContact O-CB 3.3Å; L586-A590 PolarHBondContact O-N 2.78Å |
| 591 | S | 95.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -94.1 | -5.6 | 175.9 | -54.2 | 0 | 0 | 0 | 0 | 112.7 | C553 K560 A587 G588 L589 A593 | C553-S591 WeakPolarHBondContact CA-OG 3.31Å; C553-S591 PolarHBondContact SG-OG 2.91Å; K560-S591 WeakPolarHBondContact CE-O 3.33Å; K560-S591 PolarHBondContact NZ-O 2.99Å; A587-S591 WeakPolarHBondContact O-CB 3.33Å; A587-S591 PolarHBondContact O-N 3.36Å; A587-S591 PolarHBondContact O-OG 3.05Å; G588-S591 PolarHBondContact O-N 3.5Å; L589-S591 PolarHBondContact O-N 2.76Å; S591-A593 VanDerWaalsContact C-N 3.29Å; S591-A593 PolarHBondContact O-N 3.1Å |
| 592 | G | 93.2 | Very high | 96 | Very high | 9 Ų | 9 | 18 Ų | 18 | 9% | 0.093 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 43.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G588 L589 | G588-G592 PolarHBondContact O-N 2.89Å; L589-G592 PolarHBondContact O-N 3.47Å; L589-G592 VanDerWaalsContact O-N 3.12Å |
| 593 | A | 93.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 3% | 0.025 | 10% | 0.1 | C | C | . | . | trans | -65.1 | 156.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | G588 S591 I627 T629 | G588-A593 WeakPolarHBondContact O-CB 3.28Å; G588-A593 PolarHBondContact O-N 2.9Å; S591-A593 VanDerWaalsContact C-N 3.29Å; S591-A593 PolarHBondContact O-N 3.1Å; A593-I627 HydrophobicContact CB-CB 4.31Å; A593-I627 HydrophobicContact CB-CG2 3.95Å; A593-T629 HydrophobicContact CB-CG2 4.27Å | ||
| 594 | D | 92.3 | Very high | 95.6 | Very high | 16 Ų | 16 | 20 Ų | 20 | 9% | 0.086 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -88.6 | -28.3 | -175.5 | -66.8 | -89.5 | 0 | 0 | 0 | 112.9 | K618 Y626 I627 A757 Y759 | D594-K618 IonicContact OD1-NZ 2.93Å; D594-K618 PolarHBondContact OD1-NZ 3.45Å; D594-Y626 HydrophobicContact CB-CD1 3.92Å; D594-Y626 HydrophobicContact CB-CD2 3.69Å; D594-Y626 HydrophobicContact CB-CE1 3.53Å; D594-Y626 HydrophobicContact CB-CE2 3.3Å; D594-Y626 HydrophobicContact CB-CG 3.98Å; D594-Y626 WeakPolarHBondContact OD2-CA 3.31Å; D594-I627 PolarHBondContact N-O 2.84Å; D594-I627 PolarHBondContact OD2-N 3.32Å; D594-A757 HydrophobicContact CB-CB 4.46Å; D594-A757 WeakPolarHBondContact O-CB 3.3Å; D594-Y759 WeakPolarHBondContact O-CE2 3.36Å |
| 595 | N | 94.2 | Very high | 95.4 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 160.1 | 174.4 | -159.1 | 7.2 | 0 | 0 | 0 | 111.4 | D611 I627 V628 T629 | N595-D611 PolarHBondContact ND2-OD2 2.82Å; N595-I627 PolarHBondContact N-O 3.48Å; N595-V628 WeakPolarHBondContact O-CA 3.46Å; N595-T629 PolarHBondContact O-N 3.41Å; N595-T629 PolarHBondContact O-OG1 2.93Å |
| 596 | A | 96.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 118.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T629 H750 L753 | A596-T629 CarbonylContact C-O 3.3Å; A596-T629 VanDerWaalsContact CA-O 3.23Å; A596-T629 WeakPolarHBondContact CA-O 3.44Å; A596-T629 VanDerWaalsContact CB-OG1 3.31Å; A596-T629 WeakPolarHBondContact CB-OG1 3.41Å; A596-H750 PolarHBondContact O-NE2 3.37Å; A596-L753 HydrophobicContact CB-CD1 3.97Å |
| 597 | Y | 97.2 | Very high | 95 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 3% | 0.027 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 123.8 | 171.8 | -63 | -79.4 | 0 | 0 | 0 | 110.1 | F603 I608 D611 V628 T629 R630 C631 M643 | Y597-F603 HydrophobicContact CD1-CB 4.5Å; Y597-F603 AromaticContact CD1-CD1 3.99Å; Y597-F603 HydrophobicContact CD1-CD1 3.99Å; Y597-F603 AromaticContact CD1-CD2 3.71Å; Y597-F603 HydrophobicContact CD1-CD2 3.71Å; Y597-F603 HydrophobicContact CD1-CE1 4.11Å; Y597-F603 AromaticContact CD1-CE2 3.8Å; Y597-F603 HydrophobicContact CD1-CE2 3.8Å; Y597-F603 AromaticContact CD1-CG 3.81Å; Y597-F603 HydrophobicContact CD1-CG 3.81Å; Y597-F603 HydrophobicContact CD1-CZ 4.01Å; Y597-F603 HydrophobicContact CE1-CD2 4.03Å; Y597-F603 HydrophobicContact CE1-CE2 4.37Å; Y597-F603 HydrophobicContact CE1-CG 4.31Å; Y597-F603 HydrophobicContact CG-CE2 4.39Å; Y597-F603 HydrophobicContact CG-CZ 4.31Å; Y597-I608 HydrophobicContact CE1-CG1 4.22Å; Y597-D611 VanDerWaalsContact CZ-OD2 3.3Å; Y597-D611 PolarHBondContact OH-OD2 3.2Å; Y597-V628 HydrophobicContact CD2-CG1 3.3Å; Y597-V628 HydrophobicContact CE2-CB 4.48Å; Y597-V628 HydrophobicContact CE2-CG1 3.36Å; Y597-V628 HydrophobicContact CE2-CG2 4.29Å; Y597-T629 PolarHBondContact N-O 3.35Å; Y597-R630 WeakPolarHBondContact O-CA 3.46Å; Y597-C631 PolarHBondContact O-N 3.42Å; Y597-M643 HydrophobicContact CD1-CE 4.18Å; Y597-M643 HydrophobicContact CD2-CE 3.39Å; Y597-M643 HydrophobicContact CD2-SD 4.29Å; Y597-M643 HydrophobicContact CE1-CE 3.94Å; Y597-M643 HydrophobicContact CE2-CE 3.08Å; Y597-M643 HydrophobicContact CE2-SD 4.48Å; Y597-M643 HydrophobicContact CG-CE 3.93Å |
| 598 | I | 97.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | trans | -135.7 | 162.8 | -174.8 | 62 | 173.1 | 0 | 0 | 0 | 110.1 | A584 E600 Q601 W746 L747 | A584-I598 HydrophobicContact CB-CG2 3.91Å; I598-E600 WeakPolarHBondContact CB-OE2 3.45Å; I598-E600 HydrophobicContact CD1-CB 4.2Å; I598-Q601 HydrophobicContact CD1-CB 4.23Å; I598-Q601 HydrophobicContact CG1-CB 3.85Å; I598-W746 HydrophobicContact CD1-CH2 4.26Å; I598-W746 HydrophobicContact CD1-CZ3 3.95Å; I598-L747 HydrophobicContact CD1-CD2 3.88Å | ||
| 599 | F | 97.1 | Very high | 94.6 | Very high | 66 Ų | 66 | 34.6 Ų | 34.6 | 29% | 0.289 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -73.6 | -36.7 | -178.1 | 171.6 | -104.9 | 0 | 0 | 0 | 111.6 | Y579 Q601 H738 L740 | Y579-F599 HydrophobicContact CD1-CB 4.47Å; Y579-F599 HydrophobicContact CD1-CD1 4.19Å; Y579-F599 AromaticContact CD1-CD2 3.6Å; Y579-F599 HydrophobicContact CD1-CD2 3.6Å; Y579-F599 HydrophobicContact CD1-CE1 4.32Å; Y579-F599 AromaticContact CD1-CE2 3.75Å; Y579-F599 HydrophobicContact CD1-CE2 3.75Å; Y579-F599 AromaticContact CD1-CG 3.83Å; Y579-F599 HydrophobicContact CD1-CG 3.83Å; Y579-F599 HydrophobicContact CD1-CZ 4.11Å; Y579-F599 HydrophobicContact CE1-CD2 4.22Å; Y579-F599 HydrophobicContact CE1-CE2 4.11Å; Y579-F599 HydrophobicContact CG-CG 4.49Å; Y579-F599 VanDerWaalsContact O-CB 3.31Å; Y579-F599 WeakPolarHBondContact O-CB 3.44Å; F599-Q601 PolarHBondContact O-N 3.29Å; F599-H738 HydrophobicContact CE1-CB 4.32Å; F599-H738 AromaticContact CZ-CD2 3.59Å; F599-H738 AromaticContact CZ-CG 3.87Å; F599-H738 AromaticContact CZ-NE2 3.73Å; F599-L740 HydrophobicContact CD1-CD1 3.84Å; F599-L740 HydrophobicContact CE1-CD1 3.92Å |
| 600 | E | 96 | Very high | 94.4 | Very high | 46 Ų | 46 | 38.4 Ų | 38.4 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -66.3 | -21 | -176.5 | -60.3 | 85.8 | 163.4 | 0 | 0 | 113.2 | C580 G581 I598 Q744 W746 L747 | C580-E600 WeakPolarHBondContact CA-OE1 3.44Å; G581-E600 WeakPolarHBondContact CA-OE2 3.12Å; G581-E600 PolarHBondContact N-OE1 3.48Å; G581-E600 PolarHBondContact N-OE2 3.01Å; I598-E600 WeakPolarHBondContact CB-OE2 3.45Å; I598-E600 HydrophobicContact CD1-CB 4.2Å; E600-Q744 VanDerWaalsContact CG-NE2 3.33Å; E600-Q744 PolarHBondContact OE1-OE1 3.13Å; E600-W746 VanDerWaalsContact CD-CH2 3.45Å; E600-W746 HydrophobicContact CG-CH2 4.19Å; E600-W746 VanDerWaalsContact OE1-CH2 3.22Å; E600-W746 WeakPolarHBondContact OE1-CH2 3.42Å; E600-W746 VanDerWaalsContact OE1-CZ2 3.26Å; E600-W746 WeakPolarHBondContact OE1-CZ2 3.43Å; E600-L747 HydrophobicContact CB-CD1 4.28Å; E600-L747 HydrophobicContact CB-CD2 3.57Å; E600-L747 HydrophobicContact CG-CD1 4.46Å; E600-L747 HydrophobicContact CG-CD2 3.97Å |
| 601 | Q | 93.2 | Very high | 94.2 | Very high | 78 Ų | 78 | 38.8 Ų | 38.8 | 36% | 0.364 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -112.6 | 109.7 | 174.2 | -177.1 | 172.2 | 17.8 | 0 | 0 | 108.9 | I598 F599 F603 H750 | I598-Q601 HydrophobicContact CD1-CB 4.23Å; I598-Q601 HydrophobicContact CG1-CB 3.85Å; F599-Q601 PolarHBondContact O-N 3.29Å; Q601-F603 WeakPolarHBondContact O-CD1 3.26Å; Q601-H750 PolarHBondContact OE1-CE1 3.1Å; Q601-H750 PolarHBondContact OE1-ND1 3.34Å; Q601-H750 PolarHBondContact OE1-NE2 3.1Å |
| 602 | T | 92.1 | Very high | 94.1 | Very high | 133 Ų | 133 | 39.1 Ų | 39.1 | 82% | 0.816 | 21% | 0.213 | S | C | * | . | trans | -63 | 140.2 | 175.8 | 53.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 603 | F | 94.4 | Very high | 94 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | trans | -143.4 | 144.3 | 175.2 | 60.9 | -83.7 | 0 | 0 | 0 | 110 | Y597 Q601 D607 I608 A634 N635 Y638 | Y597-F603 HydrophobicContact CD1-CB 4.5Å; Y597-F603 AromaticContact CD1-CD1 3.99Å; Y597-F603 HydrophobicContact CD1-CD1 3.99Å; Y597-F603 AromaticContact CD1-CD2 3.71Å; Y597-F603 HydrophobicContact CD1-CD2 3.71Å; Y597-F603 HydrophobicContact CD1-CE1 4.11Å; Y597-F603 AromaticContact CD1-CE2 3.8Å; Y597-F603 HydrophobicContact CD1-CE2 3.8Å; Y597-F603 AromaticContact CD1-CG 3.81Å; Y597-F603 HydrophobicContact CD1-CG 3.81Å; Y597-F603 HydrophobicContact CD1-CZ 4.01Å; Y597-F603 HydrophobicContact CE1-CD2 4.03Å; Y597-F603 HydrophobicContact CE1-CE2 4.37Å; Y597-F603 HydrophobicContact CE1-CG 4.31Å; Y597-F603 HydrophobicContact CG-CE2 4.39Å; Y597-F603 HydrophobicContact CG-CZ 4.31Å; Q601-F603 WeakPolarHBondContact O-CD1 3.26Å; F603-D607 WeakPolarHBondContact CA-OD2 3.42Å; F603-D607 HydrophobicContact CB-CB 4.25Å; F603-I608 HydrophobicContact CD2-CD1 3.95Å; F603-I608 HydrophobicContact CD2-CG1 3.99Å; F603-I608 HydrophobicContact CE2-CD1 4.03Å; F603-I608 HydrophobicContact CE2-CG1 4.43Å; F603-A634 HydrophobicContact CE1-CB 4.04Å; F603-A634 HydrophobicContact CZ-CB 4.14Å; F603-N635 HydrophobicContact CE1-CB 4.22Å; F603-N635 HydrophobicContact CE2-CB 4.28Å; F603-N635 HydrophobicContact CZ-CB 3.67Å; F603-Y638 HydrophobicContact CD2-CD2 4.01Å; F603-Y638 AromaticContact CE2-CD2 3.69Å; F603-Y638 HydrophobicContact CE2-CD2 3.69Å; F603-Y638 HydrophobicContact CE2-CG 4.26Å; F603-Y638 HydrophobicContact CZ-CD2 4.45Å; F603-Y638 WeakPolarHBondContact O-CE2 3.38Å | ||
| 604 | G | 94.3 | Very high | 93.8 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 24% | 0.237 | 24% | 0.239 | C | C | . | . | trans | -111.1 | -179.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D606 D607 I608 | G604-D606 PolarHBondContact O-N 3.01Å; G604-D607 PolarHBondContact N-OD2 3.44Å; G604-D607 PolarHBondContact O-N 2.99Å; G604-I608 WeakPolarHBondContact O-CG1 3.39Å; G604-I608 PolarHBondContact O-N 3.37Å | ||
| 605 | V | 93.5 | Very high | 93.8 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 33% | 0.333 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.2 | -32.7 | 176.5 | 73.6 | 0 | 0 | 0 | 0 | 112.2 | I608 K609 L646 | V605-I608 PolarHBondContact O-N 3.22Å; V605-K609 HydrophobicContact CG2-CD 4.48Å; V605-K609 WeakPolarHBondContact O-CG 3.14Å; V605-K609 PolarHBondContact O-N 2.93Å; V605-L646 HydrophobicContact CG2-CD2 4.04Å |
| 606 | D | 93.4 | Very high | 93.6 | Very high | 106 Ų | 106 | 44.9 Ų | 44.9 | 57% | 0.567 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -68.1 | -37.3 | 179.2 | -67.9 | -43.5 | 0 | 0 | 0 | 112.3 | G604 K609 N610 | G604-D606 PolarHBondContact O-N 3.01Å; D606-K609 PolarHBondContact O-N 2.97Å; D606-N610 WeakPolarHBondContact O-CB 3.47Å; D606-N610 PolarHBondContact O-N 3.45Å; D606-N610 PolarHBondContact O-ND2 3.49Å |
| 607 | D | 93 | Very high | 93.2 | Very high | 78 Ų | 78 | 50.5 Ų | 50.5 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 173.7 | -60 | -55.2 | 0 | 0 | 0 | 110.8 | F603 G604 K609 N610 D611 | F603-D607 WeakPolarHBondContact CA-OD2 3.42Å; F603-D607 HydrophobicContact CB-CB 4.25Å; G604-D607 PolarHBondContact N-OD2 3.44Å; G604-D607 PolarHBondContact O-N 2.99Å; D607-K609 VanDerWaalsContact C-N 3.31Å; D607-K609 PolarHBondContact O-N 2.74Å; D607-N610 WeakPolarHBondContact O-CB 3.44Å; D607-N610 PolarHBondContact O-N 3.32Å; D607-N610 VanDerWaalsContact O-N 3.16Å; D607-D611 PolarHBondContact O-N 2.84Å |
| 608 | I | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 178.1 | -57.2 | 169.4 | 0 | 0 | 0 | 110.4 | Y597 F603 G604 V605 D611 V612 Y638 M643 L646 F647 | Y597-I608 HydrophobicContact CE1-CG1 4.22Å; F603-I608 HydrophobicContact CD2-CD1 3.95Å; F603-I608 HydrophobicContact CD2-CG1 3.99Å; F603-I608 HydrophobicContact CE2-CD1 4.03Å; F603-I608 HydrophobicContact CE2-CG1 4.43Å; G604-I608 WeakPolarHBondContact O-CG1 3.39Å; G604-I608 PolarHBondContact O-N 3.37Å; V605-I608 PolarHBondContact O-N 3.22Å; I608-D611 PolarHBondContact O-N 2.93Å; I608-V612 PolarHBondContact O-N 3.14Å; I608-Y638 HydrophobicContact CD1-CD1 4.49Å; I608-Y638 HydrophobicContact CD1-CD2 4.19Å; I608-Y638 HydrophobicContact CD1-CG 4.06Å; I608-M643 HydrophobicContact CD1-CE 4.32Å; I608-M643 HydrophobicContact CD1-CG 4.48Å; I608-M643 HydrophobicContact CG1-CE 4.26Å; I608-M643 HydrophobicContact CG2-CE 4.19Å; I608-L646 HydrophobicContact CB-CD2 4.11Å; I608-L646 HydrophobicContact CG2-CD2 3.57Å; I608-F647 HydrophobicContact CG2-CD1 3.96Å; I608-F647 HydrophobicContact CG2-CE1 3.38Å; I608-F647 HydrophobicContact CG2-CZ 4.36Å |
| 609 | K | 92.2 | Very high | 92.2 | Very high | 71 Ų | 71 | 51.8 Ų | 51.8 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.1 | -36.4 | 174.7 | -73.8 | 178.1 | 70.3 | 174.4 | 0 | 112.7 | V605 D606 D607 D611 V612 K613 | V605-K609 HydrophobicContact CG2-CD 4.48Å; V605-K609 WeakPolarHBondContact O-CG 3.14Å; V605-K609 PolarHBondContact O-N 2.93Å; D606-K609 PolarHBondContact O-N 2.97Å; D607-K609 VanDerWaalsContact C-N 3.31Å; D607-K609 PolarHBondContact O-N 2.74Å; K609-D611 VanDerWaalsContact C-N 3.31Å; K609-V612 WeakPolarHBondContact O-CB 3.35Å; K609-V612 PolarHBondContact O-N 3.04Å; K609-K613 WeakPolarHBondContact O-CG 3.48Å; K609-K613 PolarHBondContact O-N 3.3Å; K609-K613 VanDerWaalsContact O-N 3.13Å |
| 610 | N | 92.3 | Very high | 91.6 | Very high | 83 Ų | 83 | 54.5 Ų | 54.5 | 44% | 0.444 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 174.8 | -72.1 | -27.7 | 0 | 0 | 0 | 111.1 | D606 D607 K613 A614 | D606-N610 WeakPolarHBondContact O-CB 3.47Å; D606-N610 PolarHBondContact O-N 3.45Å; D606-N610 PolarHBondContact O-ND2 3.49Å; D607-N610 WeakPolarHBondContact O-CB 3.44Å; D607-N610 PolarHBondContact O-N 3.32Å; D607-N610 VanDerWaalsContact O-N 3.16Å; N610-K613 PolarHBondContact O-N 3.33Å; N610-A614 PolarHBondContact O-N 2.92Å |
| 611 | D | 92.2 | Very high | 90.9 | Very high | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.043 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -40.4 | 172.7 | -72.3 | -28 | 0 | 0 | 0 | 111.7 | N595 Y597 D607 I608 K609 K613 A614 I615 F647 Y759 | N595-D611 PolarHBondContact ND2-OD2 2.82Å; Y597-D611 VanDerWaalsContact CZ-OD2 3.3Å; Y597-D611 PolarHBondContact OH-OD2 3.2Å; D607-D611 PolarHBondContact O-N 2.84Å; I608-D611 PolarHBondContact O-N 2.93Å; K609-D611 VanDerWaalsContact C-N 3.31Å; D611-K613 VanDerWaalsContact C-N 3.31Å; D611-K613 PolarHBondContact O-N 2.75Å; D611-A614 PolarHBondContact O-N 3.01Å; D611-A614 VanDerWaalsContact O-N 3.12Å; D611-I615 WeakPolarHBondContact O-CG1 3.25Å; D611-I615 PolarHBondContact O-N 2.98Å; D611-F647 HydrophobicContact CB-CZ 4.48Å; D611-Y759 PolarHBondContact OD1-OH 3.06Å |
| 612 | V | 93.5 | Very high | 90.2 | Very high | 8 Ų | 8 | 58.6 Ų | 58.6 | 5% | 0.048 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.9 | -44.9 | 172.4 | 168.7 | 0 | 0 | 0 | 0 | 112 | I608 K609 I615 A616 F647 E650 F655 | I608-V612 PolarHBondContact O-N 3.14Å; K609-V612 WeakPolarHBondContact O-CB 3.35Å; K609-V612 PolarHBondContact O-N 3.04Å; V612-I615 WeakPolarHBondContact O-CB 2.91Å; V612-I615 PolarHBondContact O-N 3.17Å; V612-A616 PolarHBondContact O-N 3.04Å; V612-F647 HydrophobicContact CG2-CB 4.46Å; V612-F647 HydrophobicContact CG2-CD1 3.28Å; V612-F647 HydrophobicContact CG2-CE1 3.57Å; V612-F647 HydrophobicContact CG2-CG 4Å; V612-E650 HydrophobicContact CB-CB 4.49Å; V612-E650 HydrophobicContact CG1-CB 3.82Å; V612-E650 HydrophobicContact CG2-CB 4.36Å; V612-F655 HydrophobicContact CG1-CE1 4.46Å; V612-F655 HydrophobicContact CG1-CZ 4.01Å |
| 613 | K | 92.1 | Very high | 89.7 | Confident | 121 Ų | 121 | 54.2 Ų | 54.2 | 53% | 0.526 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 176.2 | -66.1 | 171.9 | -174 | 168.3 | 0 | 111.7 | K609 N610 D611 I615 A616 Q617 | K609-K613 WeakPolarHBondContact O-CG 3.48Å; K609-K613 PolarHBondContact O-N 3.3Å; K609-K613 VanDerWaalsContact O-N 3.13Å; N610-K613 PolarHBondContact O-N 3.33Å; D611-K613 VanDerWaalsContact C-N 3.31Å; D611-K613 PolarHBondContact O-N 2.75Å; K613-I615 VanDerWaalsContact C-N 3.34Å; K613-A616 WeakPolarHBondContact O-CB 3.48Å; K613-A616 PolarHBondContact O-N 3.13Å; K613-Q617 VanDerWaalsContact O-CG 3.3Å; K613-Q617 WeakPolarHBondContact O-CG 3.31Å; K613-Q617 PolarHBondContact O-N 3.17Å |
| 614 | A | 89.7 | Confident | 89 | Confident | 18 Ų | 18 | 56.9 Ų | 56.9 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.9 | -37.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | N610 D611 K618 Y759 | N610-A614 PolarHBondContact O-N 2.92Å; D611-A614 PolarHBondContact O-N 3.01Å; D611-A614 VanDerWaalsContact O-N 3.12Å; A614-K618 WeakPolarHBondContact O-CB 3.29Å; A614-K618 WeakPolarHBondContact O-CG 3.17Å; A614-K618 PolarHBondContact O-N 3.35Å; A614-Y759 HydrophobicContact CB-CE1 3.95Å; A614-Y759 VanDerWaalsContact CB-OH 3.27Å; A614-Y759 WeakPolarHBondContact CB-OH 3.26Å |
| 615 | I | 91.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.7 | -54.4 | 173.3 | -66.5 | 163.5 | 0 | 0 | 0 | 109.8 | V570 D611 V612 K613 Q617 K618 M619 Y626 F647 F655 | V570-I615 HydrophobicContact CG1-CD1 4.27Å; V570-I615 HydrophobicContact CG2-CD1 4.38Å; V570-I615 HydrophobicContact CG2-CG2 3.67Å; D611-I615 WeakPolarHBondContact O-CG1 3.25Å; D611-I615 PolarHBondContact O-N 2.98Å; V612-I615 WeakPolarHBondContact O-CB 2.91Å; V612-I615 PolarHBondContact O-N 3.17Å; K613-I615 VanDerWaalsContact C-N 3.34Å; I615-Q617 PolarHBondContact O-N 3.16Å; I615-K618 PolarHBondContact O-N 3.17Å; I615-K618 VanDerWaalsContact O-N 3.16Å; I615-M619 HydrophobicContact CG2-CE 3.87Å; I615-M619 HydrophobicContact CG2-CG 4.45Å; I615-M619 HydrophobicContact CG2-SD 4.2Å; I615-M619 WeakPolarHBondContact O-CG 3.38Å; I615-M619 PolarHBondContact O-N 2.89Å; I615-Y626 HydrophobicContact CB-CD2 4.27Å; I615-Y626 HydrophobicContact CB-CG 4.46Å; I615-Y626 HydrophobicContact CD1-CD1 3.85Å; I615-Y626 HydrophobicContact CD1-CE1 3.91Å; I615-Y626 HydrophobicContact CD1-CG 4.21Å; I615-Y626 HydrophobicContact CG1-CD1 3.66Å; I615-Y626 HydrophobicContact CG1-CD2 3.55Å; I615-Y626 HydrophobicContact CG1-CE1 3.71Å; I615-Y626 HydrophobicContact CG1-CE2 3.59Å; I615-Y626 HydrophobicContact CG1-CG 3.58Å; I615-Y626 HydrophobicContact CG2-CD2 4.42Å; I615-Y626 HydrophobicContact CG2-CG 4.32Å; I615-F647 HydrophobicContact CD1-CD2 4.08Å; I615-F647 HydrophobicContact CD1-CE2 3.66Å; I615-F647 HydrophobicContact CD1-CZ 3.99Å; I615-F655 HydrophobicContact CB-CE1 3.93Å; I615-F655 HydrophobicContact CB-CZ 4.18Å; I615-F655 HydrophobicContact CD1-CZ 4.4Å; I615-F655 HydrophobicContact CG2-CD1 3.58Å; I615-F655 HydrophobicContact CG2-CD2 4.4Å; I615-F655 HydrophobicContact CG2-CE1 3.45Å; I615-F655 VanDerWaalsContact CG2-CE1 3.45Å; I615-F655 HydrophobicContact CG2-CE2 4.28Å; I615-F655 HydrophobicContact CG2-CG 4.06Å; I615-F655 HydrophobicContact CG2-CZ 3.82Å |
| 616 | A | 89.7 | Confident | 88.7 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 11% | 0.107 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -51.4 | -52.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V612 K613 K618 M619 D620 | V612-A616 PolarHBondContact O-N 3.04Å; K613-A616 WeakPolarHBondContact O-CB 3.48Å; K613-A616 PolarHBondContact O-N 3.13Å; A616-K618 VanDerWaalsContact C-N 3.33Å; A616-K618 PolarHBondContact O-N 3.5Å; A616-M619 PolarHBondContact O-N 2.91Å; A616-M619 VanDerWaalsContact O-N 3.12Å; A616-D620 PolarHBondContact O-N 3.28Å |
| 617 | Q | 88 | Confident | 88.8 | Confident | 120 Ų | 120 | 49.1 Ų | 49.1 | 56% | 0.561 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61.8 | -36.9 | 179.9 | -71.7 | 175.3 | 2.4 | 0 | 0 | 113.5 | K613 I615 K621 | K613-Q617 VanDerWaalsContact O-CG 3.3Å; K613-Q617 WeakPolarHBondContact O-CG 3.31Å; K613-Q617 PolarHBondContact O-N 3.17Å; I615-Q617 PolarHBondContact O-N 3.16Å; Q617-K621 WeakPolarHBondContact O-CG 3.39Å; Q617-K621 PolarHBondContact O-N 3.3Å |
| 618 | K | 86.5 | Confident | 88.9 | Confident | 32 Ų | 32 | 45.4 Ų | 45.4 | 14% | 0.139 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.5 | -42.1 | 175.3 | -81 | 177.6 | 172.2 | -176.4 | 0 | 111.1 | D594 A614 I615 A616 K621 G622 V623 Y626 A757 | D594-K618 IonicContact OD1-NZ 2.93Å; D594-K618 PolarHBondContact OD1-NZ 3.45Å; A614-K618 WeakPolarHBondContact O-CB 3.29Å; A614-K618 WeakPolarHBondContact O-CG 3.17Å; A614-K618 PolarHBondContact O-N 3.35Å; I615-K618 PolarHBondContact O-N 3.17Å; I615-K618 VanDerWaalsContact O-N 3.16Å; A616-K618 VanDerWaalsContact C-N 3.33Å; A616-K618 PolarHBondContact O-N 3.5Å; K618-K621 CarbonylContact O-C 3.57Å; K618-K621 PolarHBondContact O-N 2.86Å; K618-G622 PolarHBondContact O-N 2.86Å; K618-V623 HydrophobicContact CB-CB 4.19Å; K618-V623 HydrophobicContact CB-CG2 4.14Å; K618-V623 VanDerWaalsContact O-CB 3.26Å; K618-V623 WeakPolarHBondContact O-CB 3.4Å; K618-V623 WeakPolarHBondContact O-CG2 3.42Å; K618-V623 PolarHBondContact O-N 3.27Å; K618-V623 VanDerWaalsContact O-N 3.13Å; K618-Y626 HydrophobicContact CD-CD2 4.01Å; K618-Y626 HydrophobicContact CD-CE2 3.85Å; K618-A757 WeakPolarHBondContact CE-O 3.36Å; K618-A757 PolarHBondContact NZ-O 3.18Å |
| 619 | M | 86.7 | Confident | 89 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.4 | -38.1 | -179.4 | -65.8 | -167.2 | 173.9 | 0 | 0 | 112.3 | H568 V570 I615 A616 K621 G622 V623 F655 | H568-M619 HydrophobicContact CB-CE 4.48Å; H568-M619 HydrophobicContact CB-SD 3.54Å; H568-M619 VanDerWaalsContact CB-SD 3.54Å; V570-M619 HydrophobicContact CG2-CE 3.82Å; I615-M619 HydrophobicContact CG2-CE 3.87Å; I615-M619 HydrophobicContact CG2-CG 4.45Å; I615-M619 HydrophobicContact CG2-SD 4.2Å; I615-M619 WeakPolarHBondContact O-CG 3.38Å; I615-M619 PolarHBondContact O-N 2.89Å; A616-M619 PolarHBondContact O-N 2.91Å; A616-M619 VanDerWaalsContact O-N 3.12Å; M619-K621 PolarHBondContact O-N 2.86Å; M619-G622 PolarHBondContact O-N 2.89Å; M619-V623 WeakPolarHBondContact CA-O 3.46Å; M619-V623 WeakPolarHBondContact CG-O 3.5Å; M619-F655 HydrophobicContact CE-CB 3.92Å; M619-F655 HydrophobicContact CE-CG 4.44Å; M619-F655 HydrophobicContact SD-CB 3.41Å; M619-F655 WeakPolarHBondContact SD-CB 3.48Å; M619-F655 HydrophobicContact SD-CD1 4.12Å; M619-F655 HydrophobicContact SD-CG 4.08Å |
| 620 | D | 84.6 | Confident | 89.3 | Confident | 122 Ų | 122 | 42.3 Ų | 42.3 | 65% | 0.652 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -60.5 | -30 | 171.9 | -72.2 | -18 | 0 | 0 | 0 | 112.6 | A616 G622 | A616-D620 PolarHBondContact O-N 3.28Å; D620-G622 PolarHBondContact O-N 2.88Å |
| 621 | K | 81.6 | Confident | 89.6 | Confident | 164 Ų | 164 | 38.3 Ų | 38.3 | 71% | 0.713 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 10.5 | 174.6 | -67.8 | 176.5 | -178.1 | -178.5 | 0 | 113.8 | Q617 K618 M619 | Q617-K621 WeakPolarHBondContact O-CG 3.39Å; Q617-K621 PolarHBondContact O-N 3.3Å; K618-K621 CarbonylContact O-C 3.57Å; K618-K621 PolarHBondContact O-N 2.86Å; M619-K621 PolarHBondContact O-N 2.86Å |
| 622 | G | 78.8 | Confident | 89.8 | Confident | 46 Ų | 46 | 40.7 Ų | 40.7 | 47% | 0.474 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.6 | -1.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | K618 M619 D620 Q624 | K618-G622 PolarHBondContact O-N 2.86Å; M619-G622 PolarHBondContact O-N 2.89Å; D620-G622 PolarHBondContact O-N 2.88Å; G622-Q624 PolarHBondContact O-N 3.04Å; G622-Q624 PolarHBondContact O-NE2 3.31Å |
| 623 | V | 80.9 | Confident | 90 | Very high | 42 Ų | 42 | 43.1 Ų | 43.1 | 26% | 0.255 | 22% | 0.222 | S | C | . | . | trans | -68.7 | 124.3 | 177 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | K618 M619 R625 | K618-V623 HydrophobicContact CB-CB 4.19Å; K618-V623 HydrophobicContact CB-CG2 4.14Å; K618-V623 VanDerWaalsContact O-CB 3.26Å; K618-V623 WeakPolarHBondContact O-CB 3.4Å; K618-V623 WeakPolarHBondContact O-CG2 3.42Å; K618-V623 PolarHBondContact O-N 3.27Å; K618-V623 VanDerWaalsContact O-N 3.13Å; M619-V623 WeakPolarHBondContact CA-O 3.46Å; M619-V623 WeakPolarHBondContact CG-O 3.5Å; V623-R625 WeakPolarHBondContact CG1-O 3.33Å | ||
| 624 | Q | 81.4 | Confident | 90.2 | Very high | 80 Ų | 80 | 37.6 Ų | 37.6 | 37% | 0.374 | 20% | 0.199 | S | C | . | . | trans | -85.1 | -20.1 | -175.3 | -65.7 | -59.6 | -49.9 | 0 | 0 | 114.3 | H568 R569 G622 | H568-Q624 VanDerWaalsContact CA-O 3.28Å; H568-Q624 WeakPolarHBondContact CA-O 3.5Å; H568-Q624 PolarHBondContact N-O 3.27Å; R569-Q624 PolarHBondContact N-O 2.94Å; R569-Q624 VanDerWaalsContact N-O 3.14Å; G622-Q624 PolarHBondContact O-N 3.04Å; G622-Q624 PolarHBondContact O-NE2 3.31Å | ||
| 625 | R | 89.4 | Confident | 90.5 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 7% | 0.072 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 155.1 | -172.7 | 68 | 168.3 | -170.2 | 82.5 | -3.6 | 112.5 | D70 A563 R569 V623 I627 | D70-R625 IonicContact OD1-CZ 3.71Å; D70-R625 IonicContact OD1-NE 3.11Å; D70-R625 PolarHBondContact OD1-NE 3.44Å; D70-R625 IonicContact OD1-NH2 2.79Å; D70-R625 PolarHBondContact OD1-NH2 3.13Å; D70-R625 IonicContact OD2-NE 2.63Å; A563-R625 HydrophobicContact CB-CB 3.67Å; R569-R625 CarbonylContact O-C 3.58Å; R569-R625 VanDerWaalsContact O-CA 3.25Å; R569-R625 WeakPolarHBondContact O-CA 3.22Å; V623-R625 WeakPolarHBondContact CG1-O 3.33Å; R625-I627 VanDerWaalsContact NH1-CD1 3.31Å |
| 626 | Y | 91.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 135.5 | 168 | -165.2 | -84.8 | 0 | 0 | 0 | 109.7 | R569 V570 F571 D594 I615 K618 V628 Y759 | R569-Y626 PolarHBondContact O-N 3.4Å; V570-Y626 CarbonylContact C-O 3.5Å; V570-Y626 VanDerWaalsContact CA-O 3.29Å; V570-Y626 WeakPolarHBondContact CA-O 3.46Å; V570-Y626 HydrophobicContact CG1-CD1 4.21Å; F571-Y626 PolarHBondContact N-O 3.14Å; D594-Y626 HydrophobicContact CB-CD1 3.92Å; D594-Y626 HydrophobicContact CB-CD2 3.69Å; D594-Y626 HydrophobicContact CB-CE1 3.53Å; D594-Y626 HydrophobicContact CB-CE2 3.3Å; D594-Y626 HydrophobicContact CB-CG 3.98Å; D594-Y626 WeakPolarHBondContact OD2-CA 3.31Å; I615-Y626 HydrophobicContact CB-CD2 4.27Å; I615-Y626 HydrophobicContact CB-CG 4.46Å; I615-Y626 HydrophobicContact CD1-CD1 3.85Å; I615-Y626 HydrophobicContact CD1-CE1 3.91Å; I615-Y626 HydrophobicContact CD1-CG 4.21Å; I615-Y626 HydrophobicContact CG1-CD1 3.66Å; I615-Y626 HydrophobicContact CG1-CD2 3.55Å; I615-Y626 HydrophobicContact CG1-CE1 3.71Å; I615-Y626 HydrophobicContact CG1-CE2 3.59Å; I615-Y626 HydrophobicContact CG1-CG 3.58Å; I615-Y626 HydrophobicContact CG2-CD2 4.42Å; I615-Y626 HydrophobicContact CG2-CG 4.32Å; K618-Y626 HydrophobicContact CD-CD2 4.01Å; K618-Y626 HydrophobicContact CD-CE2 3.85Å; Y626-V628 HydrophobicContact CD1-CG2 3.89Å; Y626-V628 HydrophobicContact CE1-CG2 3.52Å; Y626-Y759 PolarHBondContact OH-OH 3.46Å |
| 627 | I | 94 | Very high | 91 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130.5 | 179.9 | -62.3 | -176.1 | 0 | 0 | 0 | 110.2 | V556 K560 F571 V573 A593 D594 N595 R625 | V556-I627 HydrophobicContact CG1-CD1 3.84Å; V556-I627 HydrophobicContact CG1-CG2 4.14Å; K560-I627 HydrophobicContact CB-CD1 4.49Å; K560-I627 HydrophobicContact CD-CD1 4.48Å; K560-I627 HydrophobicContact CG-CD1 3.4Å; K560-I627 VanDerWaalsContact CG-CD1 3.4Å; F571-I627 HydrophobicContact CB-CG1 4.43Å; V573-I627 HydrophobicContact CG2-CG2 4.32Å; A593-I627 HydrophobicContact CB-CB 4.31Å; A593-I627 HydrophobicContact CB-CG2 3.95Å; D594-I627 PolarHBondContact N-O 2.84Å; D594-I627 PolarHBondContact OD2-N 3.32Å; N595-I627 PolarHBondContact N-O 3.48Å; R625-I627 VanDerWaalsContact NH1-CD1 3.31Å |
| 628 | V | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.4 | 172.2 | 171.5 | 0 | 0 | 0 | 0 | 108.2 | F571 I572 V573 N595 Y597 Y626 F647 | F571-V628 PolarHBondContact O-N 3.48Å; I572-V628 HydrophobicContact CG1-CB 4.43Å; I572-V628 HydrophobicContact CG2-CG1 4.3Å; V573-V628 PolarHBondContact N-O 3.06Å; N595-V628 WeakPolarHBondContact O-CA 3.46Å; Y597-V628 HydrophobicContact CD2-CG1 3.3Å; Y597-V628 HydrophobicContact CE2-CB 4.48Å; Y597-V628 HydrophobicContact CE2-CG1 3.36Å; Y597-V628 HydrophobicContact CE2-CG2 4.29Å; Y626-V628 HydrophobicContact CD1-CG2 3.89Å; Y626-V628 HydrophobicContact CE1-CG2 3.52Å; V628-F647 HydrophobicContact CG2-CE2 4.15Å |
| 629 | T | 97.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 141 | 160.8 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | V573 A584 A593 N595 A596 Y597 | V573-T629 CarbonylContact O-C 3.56Å; V573-T629 WeakPolarHBondContact O-CA 3.48Å; A584-T629 WeakPolarHBondContact O-CB 3.34Å; A584-T629 PolarHBondContact O-OG1 3.02Å; A593-T629 HydrophobicContact CB-CG2 4.27Å; N595-T629 PolarHBondContact O-N 3.41Å; N595-T629 PolarHBondContact O-OG1 2.93Å; A596-T629 CarbonylContact C-O 3.3Å; A596-T629 VanDerWaalsContact CA-O 3.23Å; A596-T629 WeakPolarHBondContact CA-O 3.44Å; A596-T629 VanDerWaalsContact CB-OG1 3.31Å; A596-T629 WeakPolarHBondContact CB-OG1 3.41Å; Y597-T629 PolarHBondContact N-O 3.35Å |
| 630 | R | 97.7 | Very high | 92.2 | Very high | 6 Ų | 6 | 50 Ų | 50 | 2% | 0.023 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 127.1 | 177.5 | 172.5 | 179 | 171 | -70.6 | -13.6 | 108.9 | I572 V573 E574 T575 Y597 E632 A634 N635 Y638 T640 | I572-R630 HydrophobicContact CG2-CB 4.29Å; V573-R630 PolarHBondContact O-N 2.82Å; E574-R630 CarbonylContact C-O 3.59Å; E574-R630 VanDerWaalsContact CA-O 3.27Å; E574-R630 WeakPolarHBondContact CA-O 3.41Å; E574-R630 IonicContact OE2-NH1 2.75Å; E574-R630 PolarHBondContact OE2-NH1 3.37Å; T575-R630 PolarHBondContact N-O 2.9Å; T575-R630 PolarHBondContact OG1-O 3.46Å; Y597-R630 WeakPolarHBondContact O-CA 3.46Å; R630-E632 PolarHBondContact NH1-O 3.34Å; R630-E632 PolarHBondContact NH2-O 3.41Å; R630-A634 HydrophobicContact CG-CB 4.21Å; R630-N635 PolarHBondContact NH2-O 2.99Å; R630-Y638 PolarHBondContact NE-O 2.92Å; R630-Y638 VanDerWaalsContact NE-O 3.09Å; R630-Y638 PolarHBondContact NH2-O 3.31Å; R630-T640 WeakPolarHBondContact CD-OG1 3.34Å; R630-T640 PolarHBondContact NH1-OG1 2.95Å |
| 631 | C | 98 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 139.3 | 169.4 | -168.6 | 0 | 0 | 0 | 0 | 110.2 | G578 C580 A584 Y597 N633 A634 | G578-C631 PolarHBondContact O-SG 3.43Å; C580-C631 PolarHBondContact O-SG 3.5Å; A584-C631 HydrophobicContact CB-CB 4.07Å; Y597-C631 PolarHBondContact O-N 3.42Å; C631-N633 VanDerWaalsContact C-N 3.26Å; C631-N633 PolarHBondContact O-N 2.87Å; C631-A634 HydrophobicContact CB-CB 4.23Å; C631-A634 WeakPolarHBondContact O-CB 3.42Å; C631-A634 PolarHBondContact O-N 3.29Å |
| 632 | E | 96.5 | Very high | 93.5 | Very high | 57 Ų | 57 | 43.1 Ų | 43.1 | 27% | 0.266 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -43 | -175.6 | 62.8 | -168 | 159.6 | 0 | 0 | 113.2 | E574 T575 G577 G578 R630 | E574-E632 HydrophobicContact CG-CB 4.27Å; T575-E632 PolarHBondContact O-N 2.99Å; G577-E632 PolarHBondContact N-OE1 2.78Å; G578-E632 WeakPolarHBondContact CA-OE1 3.42Å; G578-E632 PolarHBondContact N-OE1 2.79Å; R630-E632 PolarHBondContact NH1-O 3.34Å; R630-E632 PolarHBondContact NH2-O 3.41Å |
| 633 | N | 97.1 | Very high | 94.4 | Very high | 59 Ų | 59 | 41 Ų | 41 | 32% | 0.316 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 26.7 | 177.5 | -54.8 | -17.1 | 0 | 0 | 0 | 113.6 | G578 Y579 C631 N635 | G578-N633 VanDerWaalsContact O-CB 3.26Å; G578-N633 WeakPolarHBondContact O-CB 3.44Å; G578-N633 PolarHBondContact O-N 2.87Å; Y579-N633 HydrophobicContact CD1-CB 3.59Å; Y579-N633 HydrophobicContact CE1-CB 3.65Å; Y579-N633 HydrophobicContact CG-CB 4.07Å; C631-N633 VanDerWaalsContact C-N 3.26Å; C631-N633 PolarHBondContact O-N 2.87Å; N633-N635 PolarHBondContact O-N 3.3Å |
| 634 | A | 97.1 | Very high | 95.1 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -55.6 | -38.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F603 R630 C631 | F603-A634 HydrophobicContact CE1-CB 4.04Å; F603-A634 HydrophobicContact CZ-CB 4.14Å; R630-A634 HydrophobicContact CG-CB 4.21Å; C631-A634 HydrophobicContact CB-CB 4.23Å; C631-A634 WeakPolarHBondContact O-CB 3.42Å; C631-A634 PolarHBondContact O-N 3.29Å |
| 635 | N | 96.8 | Very high | 95.8 | Very high | 44 Ų | 44 | 43.2 Ų | 43.2 | 24% | 0.235 | 21% | 0.205 | C | C | . | . | trans | -156 | 140.2 | 169.8 | -171.5 | -74.3 | 0 | 0 | 0 | 109.4 | F603 R630 N633 H637 Y638 | F603-N635 HydrophobicContact CE1-CB 4.22Å; F603-N635 HydrophobicContact CE2-CB 4.28Å; F603-N635 HydrophobicContact CZ-CB 3.67Å; R630-N635 PolarHBondContact NH2-O 2.99Å; N633-N635 PolarHBondContact O-N 3.3Å; N635-H637 PolarHBondContact OD1-N 3.48Å; N635-Y638 HydrophobicContact CB-CD2 3.96Å; N635-Y638 HydrophobicContact CB-CG 4.36Å; N635-Y638 VanDerWaalsContact CG-CD2 3.42Å; N635-Y638 PolarHBondContact OD1-N 3.4Å | ||
| 636 | M | 94.4 | Very high | 96.1 | Very high | 152 Ų | 152 | 43.5 Ų | 43.5 | 75% | 0.749 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -67.9 | -34 | -178.6 | -177.3 | 171.4 | 69.3 | 0 | 0 | 113.3 | ||
| 637 | H | 95.7 | Very high | 96.2 | Very high | 132 Ų | 132 | 43.5 Ų | 43.5 | 61% | 0.611 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -97.3 | -37.2 | -175.9 | -59.5 | -62.8 | 0 | 0 | 0 | 112.2 | N635 T639 | N635-H637 PolarHBondContact OD1-N 3.48Å; H637-T639 PolarHBondContact O-N 3.01Å |
| 638 | Y | 95.7 | Very high | 96.2 | Very high | 59 Ų | 59 | 45.4 Ų | 45.4 | 23% | 0.231 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -83.8 | 70 | 175.8 | -47.2 | -42.1 | 0 | 0 | 0 | 110.4 | F603 I608 R630 N635 F642 | F603-Y638 HydrophobicContact CD2-CD2 4.01Å; F603-Y638 AromaticContact CE2-CD2 3.69Å; F603-Y638 HydrophobicContact CE2-CD2 3.69Å; F603-Y638 HydrophobicContact CE2-CG 4.26Å; F603-Y638 HydrophobicContact CZ-CD2 4.45Å; F603-Y638 WeakPolarHBondContact O-CE2 3.38Å; I608-Y638 HydrophobicContact CD1-CD1 4.49Å; I608-Y638 HydrophobicContact CD1-CD2 4.19Å; I608-Y638 HydrophobicContact CD1-CG 4.06Å; R630-Y638 PolarHBondContact NE-O 2.92Å; R630-Y638 VanDerWaalsContact NE-O 3.09Å; R630-Y638 PolarHBondContact NH2-O 3.31Å; N635-Y638 HydrophobicContact CB-CD2 3.96Å; N635-Y638 HydrophobicContact CB-CG 4.36Å; N635-Y638 VanDerWaalsContact CG-CD2 3.42Å; N635-Y638 PolarHBondContact OD1-N 3.4Å; Y638-F642 AromaticContact CD1-CD1 3.9Å; Y638-F642 HydrophobicContact CD1-CD1 3.9Å; Y638-F642 AromaticContact CD1-CE1 3.61Å; Y638-F642 HydrophobicContact CD1-CE1 3.61Å; Y638-F642 HydrophobicContact CD1-CZ 4.3Å; Y638-F642 HydrophobicContact CE1-CE1 4.23Å; Y638-F642 HydrophobicContact CG-CE1 4.45Å |
| 639 | T | 96 | Very high | 96.2 | Very high | 59 Ų | 59 | 52.2 Ų | 52.2 | 36% | 0.362 | 25% | 0.253 | S | S | . | . | trans | -67.7 | 160.4 | 177.5 | 68.1 | 0 | 0 | 0 | 0 | 111.4 | H637 E641 F642 M643 | H637-T639 PolarHBondContact O-N 3.01Å; T639-E641 PolarHBondContact O-N 3.08Å; T639-F642 PolarHBondContact O-N 3.38Å; T639-F642 VanDerWaalsContact O-N 3.11Å; T639-F642 WeakPolarHBondContact OG1-CB 3.36Å; T639-F642 PolarHBondContact OG1-N 2.93Å; T639-F642 VanDerWaalsContact OG1-N 3.08Å; T639-M643 WeakPolarHBondContact O-CG 3.41Å; T639-M643 PolarHBondContact O-N 2.95Å | ||
| 640 | T | 96.6 | Very high | 96 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54 | -37.2 | 174.4 | -65.8 | 0 | 0 | 0 | 0 | 112 | I572 E574 R630 R644 I659 | I572-T640 HydrophobicContact CG2-CG2 4.05Å; E574-T640 HydrophobicContact CB-CG2 4.49Å; E574-T640 VanDerWaalsContact OE2-CB 3.28Å; E574-T640 WeakPolarHBondContact OE2-CB 3.33Å; E574-T640 PolarHBondContact OE2-OG1 3.44Å; R630-T640 WeakPolarHBondContact CD-OG1 3.34Å; R630-T640 PolarHBondContact NH1-OG1 2.95Å; T640-R644 WeakPolarHBondContact O-CB 3.3Å; T640-R644 PolarHBondContact O-N 3.37Å; T640-I659 HydrophobicContact CG2-CB 3.66Å; T640-I659 HydrophobicContact CG2-CD1 4.27Å; T640-I659 HydrophobicContact CG2-CG2 3.46Å; T640-I659 VanDerWaalsContact CG2-CG2 3.46Å |
| 641 | E | 96.6 | Very high | 95.6 | Very high | 70 Ų | 70 | 55.7 Ų | 55.7 | 33% | 0.327 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -71.9 | -42 | 177.8 | -177.8 | 53.5 | -153.8 | 0 | 0 | 112.3 | T639 M643 R644 Q645 | T639-E641 PolarHBondContact O-N 3.08Å; E641-M643 VanDerWaalsContact C-N 3.35Å; E641-M643 PolarHBondContact O-N 3.1Å; E641-R644 VanDerWaalsContact CD-NE 3.33Å; E641-R644 WeakPolarHBondContact O-CB 3.49Å; E641-R644 PolarHBondContact O-N 2.92Å; E641-R644 IonicContact OE1-CZ 3.25Å; E641-R644 VanDerWaalsContact OE1-CZ 3.25Å; E641-R644 IonicContact OE1-NE 3.33Å; E641-R644 PolarHBondContact OE1-NE 3.34Å; E641-R644 IonicContact OE1-NH2 2.66Å; E641-R644 PolarHBondContact OE1-NH2 3.32Å; E641-R644 IonicContact OE2-CZ 3.91Å; E641-R644 IonicContact OE2-NE 3.52Å; E641-R644 PolarHBondContact OE2-NE 3.45Å; E641-Q645 WeakPolarHBondContact O-CG 3.25Å; E641-Q645 PolarHBondContact O-N 3.45Å; E641-Q645 PolarHBondContact OE1-NE2 3.05Å |
| 642 | F | 96.4 | Very high | 95.2 | Very high | 71 Ų | 71 | 64 Ų | 64 | 31% | 0.311 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 173.2 | 173.2 | -94.3 | 0 | 0 | 0 | 111.3 | Y638 T639 R644 Q645 L646 | Y638-F642 AromaticContact CD1-CD1 3.9Å; Y638-F642 HydrophobicContact CD1-CD1 3.9Å; Y638-F642 AromaticContact CD1-CE1 3.61Å; Y638-F642 HydrophobicContact CD1-CE1 3.61Å; Y638-F642 HydrophobicContact CD1-CZ 4.3Å; Y638-F642 HydrophobicContact CE1-CE1 4.23Å; Y638-F642 HydrophobicContact CG-CE1 4.45Å; T639-F642 PolarHBondContact O-N 3.38Å; T639-F642 VanDerWaalsContact O-N 3.11Å; T639-F642 WeakPolarHBondContact OG1-CB 3.36Å; T639-F642 PolarHBondContact OG1-N 2.93Å; T639-F642 VanDerWaalsContact OG1-N 3.08Å; F642-R644 VanDerWaalsContact C-N 3.3Å; F642-R644 PolarHBondContact O-N 3.23Å; F642-Q645 PolarHBondContact O-N 3.2Å; F642-Q645 VanDerWaalsContact O-N 3.16Å; F642-L646 HydrophobicContact CE1-CD2 4.03Å; F642-L646 HydrophobicContact CZ-CD2 4.35Å; F642-L646 WeakPolarHBondContact O-CB 3.34Å; F642-L646 PolarHBondContact O-N 2.9Å |
| 643 | M | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 179.4 | -64.5 | -175.5 | 72 | 0 | 0 | 112 | I572 Y597 I608 T639 E641 L646 F647 | I572-M643 HydrophobicContact CD1-CB 3.75Å; Y597-M643 HydrophobicContact CD1-CE 4.18Å; Y597-M643 HydrophobicContact CD2-CE 3.39Å; Y597-M643 HydrophobicContact CD2-SD 4.29Å; Y597-M643 HydrophobicContact CE1-CE 3.94Å; Y597-M643 HydrophobicContact CE2-CE 3.08Å; Y597-M643 HydrophobicContact CE2-SD 4.48Å; Y597-M643 HydrophobicContact CG-CE 3.93Å; I608-M643 HydrophobicContact CD1-CE 4.32Å; I608-M643 HydrophobicContact CD1-CG 4.48Å; I608-M643 HydrophobicContact CG1-CE 4.26Å; I608-M643 HydrophobicContact CG2-CE 4.19Å; T639-M643 WeakPolarHBondContact O-CG 3.41Å; T639-M643 PolarHBondContact O-N 2.95Å; E641-M643 VanDerWaalsContact C-N 3.35Å; E641-M643 PolarHBondContact O-N 3.1Å; M643-L646 PolarHBondContact O-N 3.4Å; M643-F647 VanDerWaalsContact O-CB 3.28Å; M643-F647 WeakPolarHBondContact O-CB 3.39Å; M643-F647 WeakPolarHBondContact O-CG 3.33Å; M643-F647 PolarHBondContact O-N 3.11Å |
| 644 | R | 96.2 | Very high | 94.4 | Very high | 69 Ų | 69 | 66.2 Ų | 66.2 | 26% | 0.26 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 173.3 | -173.5 | -161.9 | 69.2 | 73.4 | -4.3 | 111.6 | T640 E641 F642 S648 T657 I659 | T640-R644 WeakPolarHBondContact O-CB 3.3Å; T640-R644 PolarHBondContact O-N 3.37Å; E641-R644 VanDerWaalsContact CD-NE 3.33Å; E641-R644 WeakPolarHBondContact O-CB 3.49Å; E641-R644 PolarHBondContact O-N 2.92Å; E641-R644 IonicContact OE1-CZ 3.25Å; E641-R644 VanDerWaalsContact OE1-CZ 3.25Å; E641-R644 IonicContact OE1-NE 3.33Å; E641-R644 PolarHBondContact OE1-NE 3.34Å; E641-R644 IonicContact OE1-NH2 2.66Å; E641-R644 PolarHBondContact OE1-NH2 3.32Å; E641-R644 IonicContact OE2-CZ 3.91Å; E641-R644 IonicContact OE2-NE 3.52Å; E641-R644 PolarHBondContact OE2-NE 3.45Å; F642-R644 VanDerWaalsContact C-N 3.3Å; F642-R644 PolarHBondContact O-N 3.23Å; R644-S648 VanDerWaalsContact O-CB 3.32Å; R644-S648 WeakPolarHBondContact O-CB 3.46Å; R644-S648 PolarHBondContact O-N 2.98Å; R644-S648 PolarHBondContact O-OG 2.72Å; R644-T657 HydrophobicContact CB-CG2 4.49Å; R644-T657 HydrophobicContact CG-CG2 4.08Å; R644-I659 HydrophobicContact CB-CG2 3.52Å; R644-I659 HydrophobicContact CG-CG2 3.71Å |
| 645 | Q | 96.1 | Very high | 94.2 | Very high | 100 Ų | 100 | 66.6 Ų | 66.6 | 47% | 0.467 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63 | -49.3 | -179.7 | -70 | 173.4 | 6.7 | 0 | 0 | 110.3 | E641 F642 F647 S648 E649 | E641-Q645 WeakPolarHBondContact O-CG 3.25Å; E641-Q645 PolarHBondContact O-N 3.45Å; E641-Q645 PolarHBondContact OE1-NE2 3.05Å; F642-Q645 PolarHBondContact O-N 3.2Å; F642-Q645 VanDerWaalsContact O-N 3.16Å; Q645-F647 PolarHBondContact O-N 3.29Å; Q645-S648 PolarHBondContact O-N 3.46Å; Q645-E649 WeakPolarHBondContact O-CB 3.15Å; Q645-E649 PolarHBondContact O-N 3.38Å |
| 646 | L | 95.2 | Very high | 94 | Very high | 26 Ų | 26 | 66.1 Ų | 66.1 | 14% | 0.136 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60 | -48 | 178.4 | -175.9 | 64.6 | 0 | 0 | 0 | 112.1 | V605 I608 F642 M643 S648 E649 E650 | V605-L646 HydrophobicContact CG2-CD2 4.04Å; I608-L646 HydrophobicContact CB-CD2 4.11Å; I608-L646 HydrophobicContact CG2-CD2 3.57Å; F642-L646 HydrophobicContact CE1-CD2 4.03Å; F642-L646 HydrophobicContact CZ-CD2 4.35Å; F642-L646 WeakPolarHBondContact O-CB 3.34Å; F642-L646 PolarHBondContact O-N 2.9Å; M643-L646 PolarHBondContact O-N 3.4Å; L646-S648 VanDerWaalsContact C-N 3.29Å; L646-S648 PolarHBondContact O-N 3.48Å; L646-E649 PolarHBondContact O-N 2.91Å; L646-E650 HydrophobicContact CD1-CG 3.64Å; L646-E650 HydrophobicContact CG-CG 4.26Å; L646-E650 VanDerWaalsContact O-CB 3.3Å; L646-E650 WeakPolarHBondContact O-CB 3.47Å; L646-E650 WeakPolarHBondContact O-CG 3.48Å; L646-E650 PolarHBondContact O-N 2.9Å |
| 647 | F | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 177 | -82.5 | 16.6 | 0 | 0 | 0 | 112.5 | V570 I572 I608 D611 V612 I615 V628 M643 Q645 G651 F655 T657 | V570-F647 HydrophobicContact CG1-CD2 3.88Å; V570-F647 HydrophobicContact CG1-CE2 4.07Å; I572-F647 HydrophobicContact CD1-CD2 3.94Å; I572-F647 HydrophobicContact CD1-CE2 4.19Å; I572-F647 HydrophobicContact CD1-CG 4.48Å; I572-F647 HydrophobicContact CG1-CD2 4.3Å; I572-F647 HydrophobicContact CG1-CE2 4.32Å; I608-F647 HydrophobicContact CG2-CD1 3.96Å; I608-F647 HydrophobicContact CG2-CE1 3.38Å; I608-F647 HydrophobicContact CG2-CZ 4.36Å; D611-F647 HydrophobicContact CB-CZ 4.48Å; V612-F647 HydrophobicContact CG2-CB 4.46Å; V612-F647 HydrophobicContact CG2-CD1 3.28Å; V612-F647 HydrophobicContact CG2-CE1 3.57Å; V612-F647 HydrophobicContact CG2-CG 4Å; I615-F647 HydrophobicContact CD1-CD2 4.08Å; I615-F647 HydrophobicContact CD1-CE2 3.66Å; I615-F647 HydrophobicContact CD1-CZ 3.99Å; V628-F647 HydrophobicContact CG2-CE2 4.15Å; M643-F647 VanDerWaalsContact O-CB 3.28Å; M643-F647 WeakPolarHBondContact O-CB 3.39Å; M643-F647 WeakPolarHBondContact O-CG 3.33Å; M643-F647 PolarHBondContact O-N 3.11Å; Q645-F647 PolarHBondContact O-N 3.29Å; F647-G651 WeakPolarHBondContact O-CA 3.27Å; F647-G651 PolarHBondContact O-N 3.26Å; F647-F655 HydrophobicContact CB-CE2 4.37Å; F647-F655 WeakPolarHBondContact O-CE2 3.42Å; F647-T657 HydrophobicContact CB-CG2 3.92Å; F647-T657 WeakPolarHBondContact CB-OG1 3.33Å; F647-T657 HydrophobicContact CD2-CG2 4.12Å |
| 648 | S | 93.6 | Very high | 94 | Very high | 40 Ų | 40 | 58.6 Ų | 58.6 | 28% | 0.28 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70.1 | -41.8 | -179.6 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | R644 Q645 L646 | R644-S648 VanDerWaalsContact O-CB 3.32Å; R644-S648 WeakPolarHBondContact O-CB 3.46Å; R644-S648 PolarHBondContact O-N 2.98Å; R644-S648 PolarHBondContact O-OG 2.72Å; Q645-S648 PolarHBondContact O-N 3.46Å; L646-S648 VanDerWaalsContact C-N 3.29Å; L646-S648 PolarHBondContact O-N 3.48Å |
| 649 | E | 94.8 | Very high | 94.1 | Very high | 143 Ų | 143 | 58.4 Ų | 58.4 | 67% | 0.668 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -72.5 | -53.3 | -179.4 | -171.9 | 59.5 | -149.6 | 0 | 0 | 111.3 | Q645 L646 G651 K652 | Q645-E649 WeakPolarHBondContact O-CB 3.15Å; Q645-E649 PolarHBondContact O-N 3.38Å; L646-E649 PolarHBondContact O-N 2.91Å; E649-G651 VanDerWaalsContact C-N 3.27Å; E649-G651 PolarHBondContact O-N 3.45Å; E649-K652 WeakPolarHBondContact O-CG 3.36Å; E649-K652 PolarHBondContact O-N 3.35Å; E649-K652 VanDerWaalsContact O-N 3.09Å |
| 650 | E | 93.3 | Very high | 94.1 | Very high | 78 Ų | 78 | 58.1 Ų | 58.1 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -71 | -24.2 | -178 | -65.8 | -69.9 | 145.9 | 0 | 0 | 112.5 | V612 L646 K652 | V612-E650 HydrophobicContact CB-CB 4.49Å; V612-E650 HydrophobicContact CG1-CB 3.82Å; V612-E650 HydrophobicContact CG2-CB 4.36Å; L646-E650 HydrophobicContact CD1-CG 3.64Å; L646-E650 HydrophobicContact CG-CG 4.26Å; L646-E650 VanDerWaalsContact O-CB 3.3Å; L646-E650 WeakPolarHBondContact O-CB 3.47Å; L646-E650 WeakPolarHBondContact O-CG 3.48Å; L646-E650 PolarHBondContact O-N 2.9Å; E650-K652 PolarHBondContact O-N 3.35Å |
| 651 | G | 90.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 62 Ų | 62 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -15.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F647 E649 G653 Q654 | F647-G651 WeakPolarHBondContact O-CA 3.27Å; F647-G651 PolarHBondContact O-N 3.26Å; E649-G651 VanDerWaalsContact C-N 3.27Å; E649-G651 PolarHBondContact O-N 3.45Å; G651-G653 PolarHBondContact O-N 3.43Å; G651-Q654 VanDerWaalsContact O-CB 3.31Å; G651-Q654 WeakPolarHBondContact O-CB 3.35Å; G651-Q654 WeakPolarHBondContact O-CG 3.25Å; G651-Q654 PolarHBondContact O-N 3.03Å |
| 652 | K | 90.4 | Very high | 94.2 | Very high | 173 Ų | 173 | 59.6 Ų | 59.6 | 75% | 0.752 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.4 | 40.6 | 173.6 | -62.8 | -175.8 | -178.9 | -177 | 0 | 114.6 | E649 E650 Q654 | E649-K652 WeakPolarHBondContact O-CG 3.36Å; E649-K652 PolarHBondContact O-N 3.35Å; E649-K652 VanDerWaalsContact O-N 3.09Å; E650-K652 PolarHBondContact O-N 3.35Å; K652-Q654 VanDerWaalsContact C-N 3.26Å; K652-Q654 PolarHBondContact O-N 3.37Å |
| 653 | G | 87.5 | Confident | 94.1 | Very high | 72 Ų | 72 | 57.2 Ų | 57.2 | 74% | 0.742 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | -0.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | G651 F655 | G651-G653 PolarHBondContact O-N 3.43Å; G653-F655 PolarHBondContact O-N 2.83Å |
| 654 | Q | 89.3 | Confident | 94.1 | Very high | 92 Ų | 92 | 63.7 Ų | 63.7 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -63.9 | -29 | 172.9 | -64.4 | -175.9 | -2 | 0 | 0 | 111.8 | H568 G651 K652 | H568-Q654 WeakPolarHBondContact CB-O 3.37Å; H568-Q654 PolarHBondContact ND1-O 2.98Å; G651-Q654 VanDerWaalsContact O-CB 3.31Å; G651-Q654 WeakPolarHBondContact O-CB 3.35Å; G651-Q654 WeakPolarHBondContact O-CG 3.25Å; G651-Q654 PolarHBondContact O-N 3.03Å; K652-Q654 VanDerWaalsContact C-N 3.26Å; K652-Q654 PolarHBondContact O-N 3.37Å |
| 655 | F | 92.1 | Very high | 94.1 | Very high | 12 Ų | 12 | 62.7 Ų | 62.7 | 5% | 0.053 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -149.5 | 159.8 | 176 | 57.3 | -102.2 | 0 | 0 | 0 | 112.6 | H568 V570 V612 I615 M619 F647 G653 | H568-F655 HydrophobicContact CB-CB 4.11Å; H568-F655 VanDerWaalsContact O-CA 3.31Å; H568-F655 WeakPolarHBondContact O-CA 3.41Å; H568-F655 WeakPolarHBondContact O-CB 3.28Å; V570-F655 HydrophobicContact CB-CD2 4.3Å; V570-F655 HydrophobicContact CG2-CB 4.22Å; V570-F655 HydrophobicContact CG2-CD2 3.31Å; V570-F655 HydrophobicContact CG2-CE2 3.7Å; V570-F655 HydrophobicContact CG2-CG 3.81Å; V570-F655 HydrophobicContact CG2-CZ 4.48Å; V612-F655 HydrophobicContact CG1-CE1 4.46Å; V612-F655 HydrophobicContact CG1-CZ 4.01Å; I615-F655 HydrophobicContact CB-CE1 3.93Å; I615-F655 HydrophobicContact CB-CZ 4.18Å; I615-F655 HydrophobicContact CD1-CZ 4.4Å; I615-F655 HydrophobicContact CG2-CD1 3.58Å; I615-F655 HydrophobicContact CG2-CD2 4.4Å; I615-F655 HydrophobicContact CG2-CE1 3.45Å; I615-F655 VanDerWaalsContact CG2-CE1 3.45Å; I615-F655 HydrophobicContact CG2-CE2 4.28Å; I615-F655 HydrophobicContact CG2-CG 4.06Å; I615-F655 HydrophobicContact CG2-CZ 3.82Å; M619-F655 HydrophobicContact CE-CB 3.92Å; M619-F655 HydrophobicContact CE-CG 4.44Å; M619-F655 HydrophobicContact SD-CB 3.41Å; M619-F655 WeakPolarHBondContact SD-CB 3.48Å; M619-F655 HydrophobicContact SD-CD1 4.12Å; M619-F655 HydrophobicContact SD-CG 4.08Å; F647-F655 HydrophobicContact CB-CE2 4.37Å; F647-F655 WeakPolarHBondContact O-CE2 3.42Å; G653-F655 PolarHBondContact O-N 2.83Å |
| 656 | S | 92.8 | Very high | 94.2 | Very high | 35 Ų | 35 | 58 Ų | 58 | 25% | 0.245 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 136.6 | 174.2 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | H568 R569 V570 | H568-S656 PolarHBondContact O-N 3.32Å; R569-S656 WeakPolarHBondContact CA-O 3.26Å; R569-S656 PolarHBondContact NE-OG 3.02Å; R569-S656 VanDerWaalsContact NE-OG 3.16Å; V570-S656 PolarHBondContact N-O 2.91Å |
| 657 | T | 94.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 136.9 | 178.2 | -51.1 | 0 | 0 | 0 | 0 | 111.8 | V570 I572 R644 F647 | V570-T657 HydrophobicContact CB-CG2 4.3Å; V570-T657 HydrophobicContact CG1-CG2 4.35Å; V570-T657 CarbonylContact O-C 3.52Å; V570-T657 WeakPolarHBondContact O-CA 3.23Å; I572-T657 HydrophobicContact CD1-CG2 4.02Å; I572-T657 HydrophobicContact CG1-CG2 4.21Å; R644-T657 HydrophobicContact CB-CG2 4.49Å; R644-T657 HydrophobicContact CG-CG2 4.08Å; F647-T657 HydrophobicContact CB-CG2 3.92Å; F647-T657 WeakPolarHBondContact CB-OG1 3.33Å; F647-T657 HydrophobicContact CD2-CG2 4.12Å |
| 658 | R | 95.2 | Very high | 94.1 | Very high | 124 Ų | 124 | 60 Ų | 60 | 47% | 0.468 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 150.5 | 174.9 | -68.3 | -65.4 | 179.4 | -93.3 | 5.2 | 110.5 | V570 F571 I572 | V570-R658 PolarHBondContact O-N 3.31Å; F571-R658 CarbonylContact C-O 3.48Å; F571-R658 WeakPolarHBondContact CA-O 3.29Å; F571-R658 HydrophobicContact CD1-CB 3.7Å; F571-R658 HydrophobicContact CE1-CB 3.6Å; F571-R658 HydrophobicContact CE1-CG 4.3Å; I572-R658 PolarHBondContact N-O 3.32Å |
| 659 | I | 96.6 | Very high | 94.1 | Very high | 56 Ų | 56 | 60.5 Ų | 60.5 | 29% | 0.287 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 148.6 | 177 | 61.4 | 170.6 | 0 | 0 | 0 | 110 | I572 T640 R644 | I572-I659 HydrophobicContact CB-CG2 4.28Å; I572-I659 CarbonylContact O-C 3.54Å; I572-I659 VanDerWaalsContact O-CA 3.31Å; I572-I659 WeakPolarHBondContact O-CA 3.44Å; T640-I659 HydrophobicContact CG2-CB 3.66Å; T640-I659 HydrophobicContact CG2-CD1 4.27Å; T640-I659 HydrophobicContact CG2-CG2 3.46Å; T640-I659 VanDerWaalsContact CG2-CG2 3.46Å; R644-I659 HydrophobicContact CB-CG2 3.52Å; R644-I659 HydrophobicContact CG-CG2 3.71Å |
| 660 | N | 96.8 | Very high | 94.1 | Very high | 53 Ų | 53 | 57.5 Ų | 57.5 | 28% | 0.283 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 113.8 | 167.2 | -81.9 | -84 | 0 | 0 | 0 | 108.9 | L559 F571 I572 V573 E574 L662 | L559-N660 HydrophobicContact CD1-CB 3.99Å; L559-N660 WeakPolarHBondContact CD2-ND2 3.37Å; F571-N660 WeakPolarHBondContact CD1-ND2 3.43Å; I572-N660 PolarHBondContact O-N 3.02Å; V573-N660 CarbonylContact C-O 3.58Å; V573-N660 WeakPolarHBondContact CA-O 3.33Å; E574-N660 PolarHBondContact N-O 3.49Å; N660-L662 HydrophobicContact CB-CD2 4.24Å |
| 661 | V | 97.3 | Very high | 94.2 | Very high | 84 Ų | 84 | 54 Ų | 54 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 106.5 | 171.8 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | E574 G663 | E574-V661 HydrophobicContact CB-CB 4.45Å; E574-V661 HydrophobicContact CB-CG1 4.45Å; E574-V661 HydrophobicContact CB-CG2 4.1Å; E574-V661 WeakPolarHBondContact OE1-CG1 3.47Å; V661-G663 VanDerWaalsContact C-N 3.3Å; V661-G663 PolarHBondContact O-N 3.02Å |
| 662 | L | 97 | Very high | 94.6 | Very high | 20 Ų | 20 | 54.2 Ų | 54.2 | 11% | 0.105 | 32% | 0.317 | C | S | . | . | trans | -71.1 | -30.7 | -172.2 | -54.9 | -170.7 | 0 | 0 | 0 | 112.1 | I552 M555 V573 E574 N660 Q666 | I552-L662 HydrophobicContact CB-CD1 4.2Å; I552-L662 HydrophobicContact CG1-CD1 3.97Å; I552-L662 HydrophobicContact CG2-CD1 3.82Å; M555-L662 HydrophobicContact CB-CD1 4.35Å; M555-L662 HydrophobicContact CB-CD2 4.13Å; M555-L662 HydrophobicContact SD-CB 4.02Å; M555-L662 HydrophobicContact SD-CD1 3.96Å; M555-L662 HydrophobicContact SD-CD2 3.61Å; M555-L662 HydrophobicContact SD-CG 4.05Å; V573-L662 HydrophobicContact CG1-CD1 3.72Å; V573-L662 HydrophobicContact CG1-CD2 3.83Å; V573-L662 HydrophobicContact CG1-CG 3.75Å; E574-L662 PolarHBondContact O-N 3.45Å; N660-L662 HydrophobicContact CB-CD2 4.24Å; L662-Q666 HydrophobicContact CB-CG 3.86Å; L662-Q666 HydrophobicContact CD1-CG 4.32Å | ||
| 663 | G | 95.9 | Very high | 94.9 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 22% | 0.216 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | 55.9 | -146 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | M576 V661 A665 Q666 | M576-G663 VanDerWaalsContact SD-O 3.37Å; V661-G663 VanDerWaalsContact C-N 3.3Å; V661-G663 PolarHBondContact O-N 3.02Å; G663-A665 PolarHBondContact O-N 3.33Å; G663-A665 VanDerWaalsContact O-N 3.1Å; G663-Q666 WeakPolarHBondContact O-CB 3.45Å; G663-Q666 WeakPolarHBondContact O-CG 3.48Å; G663-Q666 PolarHBondContact O-N 2.87Å; G663-Q666 PolarHBondContact O-NE2 3.31Å |
| 664 | H | 96.2 | Very high | 95.3 | Very high | 137 Ų | 137 | 44.1 Ų | 44.1 | 63% | 0.634 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -65.6 | -13.7 | -171.7 | -71.7 | 82.1 | 0 | 0 | 0 | 115 | Q666 Q667 | H664-Q666 PolarHBondContact O-N 3.45Å; H664-Q666 VanDerWaalsContact O-N 3.08Å; H664-Q667 WeakPolarHBondContact O-CB 3.3Å; H664-Q667 PolarHBondContact O-N 2.84Å |
| 665 | A | 95.9 | Very high | 95.6 | Very high | 48 Ų | 48 | 39.8 Ų | 39.8 | 40% | 0.397 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -56.9 | -27.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V551 M555 G663 Q667 G668 | V551-A665 WeakPolarHBondContact CG1-O 3.42Å; M555-A665 HydrophobicContact CE-CB 3.37Å; G663-A665 PolarHBondContact O-N 3.33Å; G663-A665 VanDerWaalsContact O-N 3.1Å; A665-Q667 PolarHBondContact O-N 3.36Å; A665-Q667 VanDerWaalsContact O-N 3.16Å; A665-G668 PolarHBondContact O-N 3.31Å |
| 666 | Q | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -61.1 | -17.8 | 175.6 | -65.2 | 172.3 | 90.3 | 0 | 0 | 114 | I532 A548 I552 T575 M576 L662 G663 H664 G668 | I532-Q666 HydrophobicContact CD1-CB 4.19Å; A548-Q666 WeakPolarHBondContact CA-O 3.28Å; A548-Q666 WeakPolarHBondContact CB-O 3.37Å; I552-Q666 HydrophobicContact CD1-CG 4.32Å; I552-Q666 HydrophobicContact CG1-CG 3.83Å; T575-Q666 VanDerWaalsContact CA-OE1 3.26Å; M576-Q666 VanDerWaalsContact CG-NE2 3.26Å; M576-Q666 HydrophobicContact SD-CB 4.47Å; L662-Q666 HydrophobicContact CB-CG 3.86Å; L662-Q666 HydrophobicContact CD1-CG 4.32Å; G663-Q666 WeakPolarHBondContact O-CB 3.45Å; G663-Q666 WeakPolarHBondContact O-CG 3.48Å; G663-Q666 PolarHBondContact O-N 2.87Å; G663-Q666 PolarHBondContact O-NE2 3.31Å; H664-Q666 PolarHBondContact O-N 3.45Å; H664-Q666 VanDerWaalsContact O-N 3.08Å; Q666-G668 PolarHBondContact O-N 3.47Å |
| 667 | Q | 96.1 | Very high | 96 | Very high | 39 Ų | 39 | 38.6 Ų | 38.6 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -69.3 | -13.8 | 172.6 | -68.7 | 179.4 | -8.8 | 0 | 0 | 113 | C416 I532 H664 A665 | C416-Q667 PolarHBondContact SG-O 3.01Å; I532-Q667 HydrophobicContact CD1-CG 4.22Å; H664-Q667 WeakPolarHBondContact O-CB 3.3Å; H664-Q667 PolarHBondContact O-N 2.84Å; A665-Q667 PolarHBondContact O-N 3.36Å; A665-Q667 VanDerWaalsContact O-N 3.16Å |
| 668 | G | 94.2 | Very high | 96 | Very high | 29 Ų | 29 | 39.3 Ų | 39.3 | 30% | 0.299 | 23% | 0.227 | S | C | . | . | trans | 79.3 | 179.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A665 Q666 | A665-G668 PolarHBondContact O-N 3.31Å; Q666-G668 PolarHBondContact O-N 3.47Å | ||
| 669 | G | 92.3 | Very high | 96 | Very high | 51 Ų | 51 | 33.4 Ų | 33.4 | 53% | 0.526 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -109.5 | -90.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | G466 | G466-G669 WeakPolarHBondContact CA-O 3.28Å; G466-G669 PolarHBondContact N-O 3.39Å |
| 670 | N | 94.5 | Very high | 96 | Very high | 80 Ų | 80 | 30.7 Ų | 30.7 | 43% | 0.428 | 19% | 0.191 | S | C | . | . | B | Isolated β-bridge | trans | -80.6 | 145.1 | 168.9 | -68.2 | -5.4 | 0 | 0 | 0 | 110.1 | D185 R464 | D185-N670 PolarHBondContact OD2-ND2 3.01Å; R464-N670 WeakPolarHBondContact O-CA 3.3Å; R464-N670 WeakPolarHBondContact O-CB 3.17Å |
| 671 | A | 96.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 144.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | C416 R464 R676 | C416-A671 HydrophobicContact CB-CB 3.73Å; R464-A671 PolarHBondContact O-N 3.35Å; R464-A671 VanDerWaalsContact O-N 3.11Å; A671-R676 HydrophobicContact CB-CG 3.76Å; A671-R676 PolarHBondContact O-NE 3.3Å; A671-R676 PolarHBondContact O-NH2 3.48Å |
| 672 | S | 97.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 29.1 Ų | 29.1 | 6% | 0.056 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 156.9 | 172.2 | 74.9 | 0 | 0 | 0 | 0 | 111.4 | D546 T547 F674 D675 R676 | D546-S672 WeakPolarHBondContact OD2-CB 3.4Å; D546-S672 PolarHBondContact OD2-OG 3.11Å; T547-S672 PolarHBondContact OG1-N 2.81Å; T547-S672 PolarHBondContact OG1-OG 2.98Å; S672-F674 PolarHBondContact O-N 3.36Å; S672-D675 PolarHBondContact O-N 3.28Å; S672-D675 PolarHBondContact OG-N 3.49Å; S672-R676 VanDerWaalsContact O-CG 3.29Å; S672-R676 WeakPolarHBondContact O-CG 3.47Å; S672-R676 PolarHBondContact O-N 2.94Å |
| 673 | P | 97 | Very high | 95.7 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.5 | -39.7 | 175 | -21.2 | 30.5 | 0 | 0 | 0 | 112.4 | L177 N178 V181 V217 R676 L677 | L177-P673 HydrophobicContact CB-CB 3.98Å; L177-P673 HydrophobicContact CB-CG 4.11Å; N178-P673 HydrophobicContact CB-CG 4.35Å; N178-P673 VanDerWaalsContact OD1-CD 3.22Å; N178-P673 WeakPolarHBondContact OD1-CD 3.5Å; V181-P673 HydrophobicContact CB-CG 4.06Å; V181-P673 HydrophobicContact CG2-CB 4.16Å; V181-P673 HydrophobicContact CG2-CG 3.86Å; V217-P673 HydrophobicContact CG2-CB 4.49Å; P673-R676 PolarHBondContact O-N 3.34Å; P673-L677 WeakPolarHBondContact O-CB 3.47Å; P673-L677 PolarHBondContact O-N 2.91Å |
| 674 | F | 95.6 | Very high | 95.6 | Very high | 30 Ų | 30 | 28.2 Ų | 28.2 | 13% | 0.132 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.3 | -50.7 | 177.3 | -172.1 | -84.7 | 0 | 0 | 0 | 111.5 | F303 D546 S672 R676 L677 M678 | F303-F674 HydrophobicContact CD2-CD2 4.16Å; F303-F674 AromaticContact CD2-CE2 4Å; F303-F674 HydrophobicContact CD2-CE2 4Å; F303-F674 HydrophobicContact CE2-CD2 4.31Å; F303-F674 AromaticContact CE2-CE2 3.78Å; F303-F674 HydrophobicContact CE2-CE2 3.78Å; D546-F674 HydrophobicContact CB-CB 4.2Å; D546-F674 HydrophobicContact CB-CD1 3.75Å; D546-F674 HydrophobicContact CB-CG 4.22Å; S672-F674 PolarHBondContact O-N 3.36Å; F674-R676 PolarHBondContact O-N 3Å; F674-L677 PolarHBondContact O-N 3.46Å; F674-M678 HydrophobicContact CE1-CB 4.49Å; F674-M678 HydrophobicContact CE1-SD 3.86Å; F674-M678 VanDerWaalsContact O-CB 3.28Å; F674-M678 WeakPolarHBondContact O-CB 3.47Å; F674-M678 PolarHBondContact O-N 2.9Å |
| 675 | D | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.5 | -38.2 | -180 | -79 | -37.5 | 0 | 0 | 0 | 112.3 | I543 G544 T547 S672 A679 | I543-D675 HydrophobicContact CG2-CB 4.42Å; G544-D675 VanDerWaalsContact C-OD2 3.29Å; G544-D675 VanDerWaalsContact CA-CG 3.45Å; G544-D675 WeakPolarHBondContact CA-OD2 3.34Å; G544-D675 PolarHBondContact N-OD1 2.94Å; G544-D675 PolarHBondContact N-OD2 3.04Å; T547-D675 VanDerWaalsContact CB-OD2 3.23Å; T547-D675 WeakPolarHBondContact CB-OD2 3.29Å; T547-D675 PolarHBondContact N-OD2 3.37Å; T547-D675 PolarHBondContact OG1-OD2 3.38Å; S672-D675 PolarHBondContact O-N 3.28Å; S672-D675 PolarHBondContact OG-N 3.49Å; D675-A679 WeakPolarHBondContact O-CB 3.47Å; D675-A679 PolarHBondContact O-N 3.4Å |
| 676 | R | 97.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.015 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 174.2 | -68 | -179.1 | -158.2 | -164 | 7.7 | 111.2 | V181 D185 V217 T463 A671 S672 P673 F674 T680 | V181-R676 VanDerWaalsContact CG1-NH1 3.29Å; D185-R676 IonicContact OD1-NH1 2.65Å; D185-R676 PolarHBondContact OD1-NH1 3.18Å; D185-R676 IonicContact OD1-NH2 3.04Å; D185-R676 IonicContact OD2-CZ 2.7Å; D185-R676 IonicContact OD2-NH1 2.98Å; D185-R676 IonicContact OD2-NH2 3.12Å; D185-R676 PolarHBondContact OD2-NH2 2.71Å; V217-R676 HydrophobicContact CB-CB 3.75Å; V217-R676 HydrophobicContact CG1-CB 3.85Å; V217-R676 VanDerWaalsContact O-CD 3.23Å; V217-R676 WeakPolarHBondContact O-CD 2.94Å; V217-R676 PolarHBondContact O-NH1 3.43Å; T463-R676 HydrophobicContact CG2-CB 4Å; T463-R676 HydrophobicContact CG2-CG 4.08Å; A671-R676 HydrophobicContact CB-CG 3.76Å; A671-R676 PolarHBondContact O-NE 3.3Å; A671-R676 PolarHBondContact O-NH2 3.48Å; S672-R676 VanDerWaalsContact O-CG 3.29Å; S672-R676 WeakPolarHBondContact O-CG 3.47Å; S672-R676 PolarHBondContact O-N 2.94Å; P673-R676 PolarHBondContact O-N 3.34Å; F674-R676 PolarHBondContact O-N 3Å; R676-T680 WeakPolarHBondContact O-CB 3.43Å; R676-T680 PolarHBondContact O-N 2.89Å; R676-T680 VanDerWaalsContact O-N 3.09Å; R676-T680 PolarHBondContact O-OG1 3Å |
| 677 | L | 95.2 | Very high | 95.6 | Very high | 18 Ų | 18 | 22.6 Ų | 22.6 | 9% | 0.094 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.8 | -45.5 | -179.5 | -178 | 63.3 | 0 | 0 | 0 | 111.5 | I213 I216 V217 P673 F674 T680 R681 | I213-L677 HydrophobicContact CD1-CD1 4.26Å; I213-L677 HydrophobicContact CD1-CD2 3.94Å; I213-L677 HydrophobicContact CG2-CD2 3.98Å; I216-L677 HydrophobicContact CD1-CD1 4.34Å; I216-L677 HydrophobicContact CG2-CD1 4.09Å; V217-L677 HydrophobicContact CG1-CB 3.79Å; V217-L677 HydrophobicContact CG1-CD1 4.47Å; P673-L677 WeakPolarHBondContact O-CB 3.47Å; P673-L677 PolarHBondContact O-N 2.91Å; F674-L677 PolarHBondContact O-N 3.46Å; L677-T680 PolarHBondContact O-N 3.13Å; L677-R681 HydrophobicContact CD1-CG 4.3Å; L677-R681 WeakPolarHBondContact O-CG 3.27Å; L677-R681 PolarHBondContact O-N 2.95Å |
| 678 | M | 94.4 | Very high | 95.5 | Very high | 16 Ų | 16 | 23.8 Ų | 23.8 | 8% | 0.079 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61 | -47.7 | 178.9 | -176.9 | 169 | 177.3 | 0 | 0 | 110.8 | Y541 I543 F674 T680 R681 M682 V717 | Y541-M678 WeakPolarHBondContact O-CE 3.21Å; I543-M678 HydrophobicContact CG1-CB 4.48Å; I543-M678 HydrophobicContact CG1-CG 3.99Å; I543-M678 HydrophobicContact CG1-SD 4.39Å; F674-M678 HydrophobicContact CE1-CB 4.49Å; F674-M678 HydrophobicContact CE1-SD 3.86Å; F674-M678 VanDerWaalsContact O-CB 3.28Å; F674-M678 WeakPolarHBondContact O-CB 3.47Å; F674-M678 PolarHBondContact O-N 2.9Å; M678-T680 VanDerWaalsContact C-N 3.31Å; M678-T680 PolarHBondContact O-N 3.06Å; M678-R681 PolarHBondContact O-N 3.14Å; M678-M682 HydrophobicContact CE-CE 4.34Å; M678-M682 HydrophobicContact CE-SD 3.38Å; M678-M682 WeakPolarHBondContact CE-SD 3.18Å; M678-M682 HydrophobicContact CG-CG 4.33Å; M678-M682 HydrophobicContact CG-SD 3.74Å; M678-M682 WeakPolarHBondContact O-CB 3.37Å; M678-M682 VanDerWaalsContact O-CG 3.28Å; M678-M682 WeakPolarHBondContact O-CG 3.22Å; M678-M682 PolarHBondContact O-N 3.45Å; M678-M682 HydrophobicContact SD-SD 4.43Å; M678-V717 HydrophobicContact CE-CB 4.48Å; M678-V717 HydrophobicContact CE-CG2 3.78Å |
| 679 | A | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.1 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G417 A420 A421 I543 D675 A683 | G417-A679 WeakPolarHBondContact O-CB 3.2Å; A420-A679 HydrophobicContact CB-CB 3.79Å; A421-A679 HydrophobicContact CB-CB 4.13Å; I543-A679 HydrophobicContact CD1-CB 3.85Å; I543-A679 HydrophobicContact CG1-CB 4.32Å; I543-A679 HydrophobicContact CG2-CB 3.95Å; D675-A679 WeakPolarHBondContact O-CB 3.47Å; D675-A679 PolarHBondContact O-N 3.4Å; A679-A683 WeakPolarHBondContact O-CB 3.41Å; A679-A683 PolarHBondContact O-N 2.97Å |
| 680 | T | 95.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.1 | -53 | 177.2 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | I216 L386 C424 R676 L677 M678 M682 A683 I684 | I216-T680 HydrophobicContact CG2-CG2 3.94Å; L386-T680 HydrophobicContact CD1-CG2 3.41Å; L386-T680 VanDerWaalsContact CD1-CG2 3.41Å; C424-T680 HydrophobicContact CB-CG2 4.43Å; C424-T680 PolarHBondContact SG-O 2.99Å; C424-T680 VanDerWaalsContact SG-O 3.34Å; R676-T680 WeakPolarHBondContact O-CB 3.43Å; R676-T680 PolarHBondContact O-N 2.89Å; R676-T680 VanDerWaalsContact O-N 3.09Å; R676-T680 PolarHBondContact O-OG1 3Å; L677-T680 PolarHBondContact O-N 3.13Å; M678-T680 VanDerWaalsContact C-N 3.31Å; M678-T680 PolarHBondContact O-N 3.06Å; T680-M682 PolarHBondContact O-N 3.31Å; T680-A683 PolarHBondContact O-N 3.48Å; T680-I684 HydrophobicContact CG2-CD1 4.29Å; T680-I684 WeakPolarHBondContact O-CG1 3.4Å; T680-I684 PolarHBondContact O-N 3.31Å |
| 681 | R | 93.3 | Very high | 95.9 | Very high | 95 Ų | 95 | 17.2 Ų | 17.2 | 36% | 0.358 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -61.6 | -42.9 | -177.5 | -73.3 | 176.9 | 61.2 | -178.4 | -1.8 | 112.6 | L677 M678 I684 H685 | L677-R681 HydrophobicContact CD1-CG 4.3Å; L677-R681 WeakPolarHBondContact O-CG 3.27Å; L677-R681 PolarHBondContact O-N 2.95Å; M678-R681 PolarHBondContact O-N 3.14Å; R681-I684 PolarHBondContact O-N 3.46Å; R681-H685 PolarHBondContact O-N 3.13Å |
| 682 | M | 95.3 | Very high | 95.9 | Very high | 8 Ų | 8 | 18.8 Ų | 18.8 | 4% | 0.039 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.7 | -43.8 | 179 | -69.3 | -179.5 | 80 | 0 | 0 | 111.2 | I528 I543 M678 T680 I684 H685 V686 L715 | I528-M682 HydrophobicContact CD1-CB 4.27Å; I528-M682 HydrophobicContact CG2-CB 4.34Å; I528-M682 HydrophobicContact CG2-CE 4.2Å; I528-M682 HydrophobicContact CG2-SD 4.43Å; I543-M682 HydrophobicContact CD1-SD 3.91Å; I543-M682 HydrophobicContact CG1-SD 4.06Å; M678-M682 HydrophobicContact CE-CE 4.34Å; M678-M682 HydrophobicContact CE-SD 3.38Å; M678-M682 WeakPolarHBondContact CE-SD 3.18Å; M678-M682 HydrophobicContact CG-CG 4.33Å; M678-M682 HydrophobicContact CG-SD 3.74Å; M678-M682 WeakPolarHBondContact O-CB 3.37Å; M678-M682 VanDerWaalsContact O-CG 3.28Å; M678-M682 WeakPolarHBondContact O-CG 3.22Å; M678-M682 PolarHBondContact O-N 3.45Å; M678-M682 HydrophobicContact SD-SD 4.43Å; T680-M682 PolarHBondContact O-N 3.31Å; M682-I684 PolarHBondContact O-N 3.45Å; M682-H685 PolarHBondContact O-N 3.07Å; M682-V686 WeakPolarHBondContact O-CG2 3.34Å; M682-V686 PolarHBondContact O-N 2.9Å; M682-L715 HydrophobicContact CB-CD2 3.88Å; M682-L715 HydrophobicContact CE-CB 4.38Å; M682-L715 HydrophobicContact CE-CD2 4.29Å; M682-L715 HydrophobicContact CE-CG 4.05Å; M682-L715 WeakPolarHBondContact CE-O 3.27Å; M682-L715 HydrophobicContact CG-CD2 4.11Å; M682-L715 WeakPolarHBondContact O-CD2 3.4Å |
| 683 | A | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.1 | -37.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A421 C424 F425 I528 A679 T680 A687 | A421-A683 HydrophobicContact CB-CB 4.39Å; A421-A683 VanDerWaalsContact O-CB 3.27Å; A421-A683 WeakPolarHBondContact O-CB 3.43Å; C424-A683 HydrophobicContact CB-CB 3.66Å; F425-A683 HydrophobicContact CB-CB 4.43Å; I528-A683 HydrophobicContact CD1-CB 4.22Å; A679-A683 WeakPolarHBondContact O-CB 3.41Å; A679-A683 PolarHBondContact O-N 2.97Å; T680-A683 PolarHBondContact O-N 3.48Å; A683-A687 VanDerWaalsContact O-CB 3.25Å; A683-A687 WeakPolarHBondContact O-CB 3.44Å; A683-A687 PolarHBondContact O-N 3.04Å |
| 684 | I | 94.5 | Very high | 95.9 | Very high | 23 Ų | 23 | 20 Ų | 20 | 12% | 0.118 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57 | -52.8 | 171.6 | -65.9 | 175.6 | 0 | 0 | 0 | 110.2 | A382 L386 C424 M428 T680 R681 M682 V686 A687 Q688 | A382-I684 HydrophobicContact CB-CD1 3.48Å; A382-I684 VanDerWaalsContact CB-CD1 3.48Å; L386-I684 HydrophobicContact CD1-CD1 4.08Å; C424-I684 WeakPolarHBondContact SG-CG1 3.29Å; M428-I684 HydrophobicContact CE-CG2 4.07Å; M428-I684 HydrophobicContact CG-CG1 4.15Å; M428-I684 HydrophobicContact SD-CG1 4.18Å; M428-I684 HydrophobicContact SD-CG2 4.23Å; T680-I684 HydrophobicContact CG2-CD1 4.29Å; T680-I684 WeakPolarHBondContact O-CG1 3.4Å; T680-I684 PolarHBondContact O-N 3.31Å; R681-I684 PolarHBondContact O-N 3.46Å; M682-I684 PolarHBondContact O-N 3.45Å; I684-V686 PolarHBondContact O-N 3.45Å; I684-A687 PolarHBondContact O-N 3.03Å; I684-Q688 WeakPolarHBondContact O-CG 3.36Å; I684-Q688 PolarHBondContact O-N 3Å; I684-Q688 VanDerWaalsContact O-N 3.11Å |
| 685 | H | 94.6 | Very high | 95.8 | Very high | 67 Ų | 67 | 24.4 Ų | 24.4 | 31% | 0.31 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -62.7 | -47.3 | -175.6 | -170.4 | 63.2 | 0 | 0 | 0 | 111.6 | R681 M682 A687 Q688 V689 L715 | R681-H685 PolarHBondContact O-N 3.13Å; M682-H685 PolarHBondContact O-N 3.07Å; H685-A687 PolarHBondContact O-N 2.82Å; H685-Q688 PolarHBondContact O-N 3.25Å; H685-V689 WeakPolarHBondContact O-CG2 3.48Å; H685-V689 PolarHBondContact O-N 3.05Å; H685-L715 HydrophobicContact CB-CD2 4.05Å |
| 686 | V | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 178.5 | 171.9 | 0 | 0 | 0 | 0 | 112.1 | L497 A526 I528 M682 I684 Q688 V689 L690 L715 | L497-V686 HydrophobicContact CD1-CG1 3.72Å; A526-V686 HydrophobicContact CB-CG1 3.4Å; A526-V686 VanDerWaalsContact CB-CG1 3.4Å; A526-V686 HydrophobicContact CB-CG2 4.49Å; I528-V686 HydrophobicContact CD1-CB 4.13Å; I528-V686 HydrophobicContact CD1-CG2 3.87Å; I528-V686 HydrophobicContact CG1-CB 4.44Å; I528-V686 HydrophobicContact CG1-CG2 3.73Å; M682-V686 WeakPolarHBondContact O-CG2 3.34Å; M682-V686 PolarHBondContact O-N 2.9Å; I684-V686 PolarHBondContact O-N 3.45Å; V686-Q688 VanDerWaalsContact C-N 3.33Å; V686-Q688 PolarHBondContact O-N 3.46Å; V686-V689 PolarHBondContact O-N 3.45Å; V686-L690 HydrophobicContact CG1-CD1 3.87Å; V686-L690 HydrophobicContact CG1-CG 4.05Å; V686-L690 WeakPolarHBondContact O-CB 3.22Å; V686-L690 WeakPolarHBondContact O-CG 3.31Å; V686-L690 PolarHBondContact O-N 2.82Å; V686-L715 HydrophobicContact CG2-CB 3.72Å; V686-L715 HydrophobicContact CG2-CD2 3.49Å; V686-L715 VanDerWaalsContact CG2-CD2 3.49Å; V686-L715 HydrophobicContact CG2-CG 4.22Å |
| 687 | A | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F425 M428 A683 I684 H685 V691 | F425-A687 HydrophobicContact CD2-CB 3.68Å; F425-A687 HydrophobicContact CE2-CB 3.98Å; M428-A687 HydrophobicContact CB-CB 3.35Å; M428-A687 HydrophobicContact CG-CB 4.19Å; A683-A687 VanDerWaalsContact O-CB 3.25Å; A683-A687 WeakPolarHBondContact O-CB 3.44Å; A683-A687 PolarHBondContact O-N 3.04Å; I684-A687 PolarHBondContact O-N 3.03Å; H685-A687 PolarHBondContact O-N 2.82Å; A687-V691 WeakPolarHBondContact O-CB 3.27Å; A687-V691 VanDerWaalsContact O-CG2 3.25Å; A687-V691 WeakPolarHBondContact O-CG2 3.39Å; A687-V691 PolarHBondContact O-N 3.31Å |
| 688 | Q | 94.8 | Very high | 95.6 | Very high | 65 Ų | 65 | 34.1 Ų | 34.1 | 30% | 0.304 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.7 | -44.4 | 177.5 | -69.8 | 174.2 | -30.5 | 0 | 0 | 111.6 | L398 M428 I684 H685 V686 V691 S692 | L398-Q688 HydrophobicContact CD1-CB 3.74Å; L398-Q688 HydrophobicContact CD1-CG 3.79Å; M428-Q688 HydrophobicContact CE-CG 3.83Å; I684-Q688 WeakPolarHBondContact O-CG 3.36Å; I684-Q688 PolarHBondContact O-N 3Å; I684-Q688 VanDerWaalsContact O-N 3.11Å; H685-Q688 PolarHBondContact O-N 3.25Å; V686-Q688 VanDerWaalsContact C-N 3.33Å; V686-Q688 PolarHBondContact O-N 3.46Å; Q688-V691 PolarHBondContact O-N 2.87Å; Q688-S692 WeakPolarHBondContact O-CB 3.3Å; Q688-S692 PolarHBondContact O-N 3.36Å; Q688-S692 PolarHBondContact O-OG 3.07Å; Q688-S692 VanDerWaalsContact O-OG 3.07Å |
| 689 | V | 96.5 | Very high | 95.5 | Very high | 21 Ų | 21 | 35.8 Ų | 35.8 | 13% | 0.127 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.1 | -49 | 178.9 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | H685 V686 V691 S692 M693 L713 L724 | H685-V689 WeakPolarHBondContact O-CG2 3.48Å; H685-V689 PolarHBondContact O-N 3.05Å; V686-V689 PolarHBondContact O-N 3.45Å; V689-V691 VanDerWaalsContact C-N 3.34Å; V689-V691 PolarHBondContact O-N 3Å; V689-S692 PolarHBondContact O-N 3.34Å; V689-M693 HydrophobicContact CG1-CE 4Å; V689-M693 HydrophobicContact CG1-CG 4.39Å; V689-M693 HydrophobicContact CG1-SD 3.97Å; V689-M693 WeakPolarHBondContact O-CB 3.5Å; V689-M693 WeakPolarHBondContact O-CG 3.36Å; V689-M693 PolarHBondContact O-N 2.76Å; V689-L713 HydrophobicContact CG1-CD1 4.25Å; V689-L724 HydrophobicContact CB-CD1 4.37Å; V689-L724 HydrophobicContact CG1-CD1 3.87Å; V689-L724 HydrophobicContact CG2-CD1 3.65Å |
| 690 | L | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -39.9 | -179.9 | -72.7 | -176.8 | 0 | 0 | 0 | 112 | F425 A495 L497 P524 A526 V686 A694 | F425-L690 HydrophobicContact CE2-CD1 3.92Å; F425-L690 HydrophobicContact CZ-CD1 4.08Å; A495-L690 HydrophobicContact CB-CB 4.13Å; A495-L690 HydrophobicContact CB-CD1 4.39Å; A495-L690 HydrophobicContact CB-CD2 4.37Å; L497-L690 HydrophobicContact CB-CD1 4.31Å; P524-L690 HydrophobicContact CB-CD2 3.82Å; A526-L690 HydrophobicContact CB-CD1 4.05Å; A526-L690 HydrophobicContact CB-CD2 3.89Å; A526-L690 HydrophobicContact CB-CG 4.08Å; V686-L690 HydrophobicContact CG1-CD1 3.87Å; V686-L690 HydrophobicContact CG1-CG 4.05Å; V686-L690 WeakPolarHBondContact O-CB 3.22Å; V686-L690 WeakPolarHBondContact O-CG 3.31Å; V686-L690 PolarHBondContact O-N 2.82Å; L690-A694 WeakPolarHBondContact O-CB 3.31Å; L690-A694 PolarHBondContact O-N 3.43Å |
| 691 | V | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | L398 L406 H432 A687 Q688 V689 A694 R695 | L398-V691 HydrophobicContact CB-CG1 3.85Å; L406-V691 HydrophobicContact CD1-CG2 3.94Å; H432-V691 HydrophobicContact CB-CG1 4.07Å; H432-V691 HydrophobicContact CB-CG2 4.23Å; A687-V691 WeakPolarHBondContact O-CB 3.27Å; A687-V691 VanDerWaalsContact O-CG2 3.25Å; A687-V691 WeakPolarHBondContact O-CG2 3.39Å; A687-V691 PolarHBondContact O-N 3.31Å; Q688-V691 PolarHBondContact O-N 2.87Å; V689-V691 VanDerWaalsContact C-N 3.34Å; V689-V691 PolarHBondContact O-N 3Å; V691-A694 PolarHBondContact O-N 2.87Å; V691-R695 WeakPolarHBondContact O-CB 3.41Å; V691-R695 PolarHBondContact O-N 2.84Å |
| 692 | S | 96 | Very high | 93.9 | Very high | 36 Ų | 36 | 48.1 Ų | 48.1 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 177.5 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | Q688 V689 A694 R695 E696 | Q688-S692 WeakPolarHBondContact O-CB 3.3Å; Q688-S692 PolarHBondContact O-N 3.36Å; Q688-S692 PolarHBondContact O-OG 3.07Å; Q688-S692 VanDerWaalsContact O-OG 3.07Å; V689-S692 PolarHBondContact O-N 3.34Å; S692-A694 PolarHBondContact O-N 3.42Å; S692-R695 WeakPolarHBondContact O-CB 3.23Å; S692-R695 PolarHBondContact O-N 3.44Å; S692-E696 WeakPolarHBondContact O-CG 3.4Å; S692-E696 PolarHBondContact O-N 3.07Å |
| 693 | M | 96.7 | Very high | 93.7 | Very high | 36 Ų | 36 | 50.2 Ų | 50.2 | 18% | 0.177 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 176.7 | -74.4 | -175.3 | 167 | 0 | 0 | 112.1 | P524 V689 R695 E696 V697 L713 | P524-M693 HydrophobicContact CB-CB 4Å; P524-M693 HydrophobicContact CB-SD 4.46Å; P524-M693 HydrophobicContact CG-CB 3.84Å; V689-M693 HydrophobicContact CG1-CE 4Å; V689-M693 HydrophobicContact CG1-CG 4.39Å; V689-M693 HydrophobicContact CG1-SD 3.97Å; V689-M693 WeakPolarHBondContact O-CB 3.5Å; V689-M693 WeakPolarHBondContact O-CG 3.36Å; V689-M693 PolarHBondContact O-N 2.76Å; M693-R695 VanDerWaalsContact C-N 3.26Å; M693-R695 PolarHBondContact O-N 3.05Å; M693-E696 PolarHBondContact O-N 3.3Å; M693-V697 WeakPolarHBondContact O-CG2 3.33Å; M693-V697 PolarHBondContact O-N 2.94Å; M693-V697 VanDerWaalsContact O-N 3.16Å; M693-L713 HydrophobicContact CE-CD1 3.3Å; M693-L713 HydrophobicContact CE-CG 4.47Å; M693-L713 HydrophobicContact SD-CD1 3.95Å |
| 694 | A | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.1 | -40.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F404 L690 V691 S692 A698 V704 | F404-A694 HydrophobicContact CD1-CB 4.21Å; F404-A694 HydrophobicContact CD2-CB 4.11Å; F404-A694 HydrophobicContact CE1-CB 4.24Å; F404-A694 HydrophobicContact CE2-CB 4.14Å; F404-A694 HydrophobicContact CG-CB 4.15Å; F404-A694 HydrophobicContact CZ-CB 4.21Å; L690-A694 WeakPolarHBondContact O-CB 3.31Å; L690-A694 PolarHBondContact O-N 3.43Å; V691-A694 PolarHBondContact O-N 2.87Å; S692-A694 PolarHBondContact O-N 3.42Å; A694-A698 VanDerWaalsContact O-CB 3.3Å; A694-A698 WeakPolarHBondContact O-CB 3.48Å; A694-A698 PolarHBondContact O-N 2.78Å; A694-V704 HydrophobicContact CB-CG1 4.41Å; A694-V704 HydrophobicContact CB-CG2 4.21Å |
| 695 | R | 94.7 | Very high | 93.8 | Very high | 123 Ų | 123 | 56.1 Ų | 56.1 | 46% | 0.464 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.5 | -43 | 175.6 | 178.1 | 178 | 174.7 | -173.5 | -1.7 | 113.2 | L398 L402 F404 V691 S692 M693 V697 A698 | L398-R695 WeakPolarHBondContact O-CD 3.27Å; L398-R695 PolarHBondContact O-NH1 3.29Å; L402-R695 HydrophobicContact CD1-CG 4.45Å; F404-R695 HydrophobicContact CE2-CB 4.09Å; F404-R695 HydrophobicContact CZ-CB 4.1Å; V691-R695 WeakPolarHBondContact O-CB 3.41Å; V691-R695 PolarHBondContact O-N 2.84Å; S692-R695 WeakPolarHBondContact O-CB 3.23Å; S692-R695 PolarHBondContact O-N 3.44Å; M693-R695 VanDerWaalsContact C-N 3.26Å; M693-R695 PolarHBondContact O-N 3.05Å; R695-V697 PolarHBondContact O-N 3.11Å; R695-A698 PolarHBondContact O-N 3.05Å |
| 696 | E | 95.2 | Very high | 93.9 | Very high | 154 Ų | 154 | 53.4 Ų | 53.4 | 72% | 0.72 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.2 | -32.7 | -179.4 | -76.3 | 171.6 | -171 | 0 | 0 | 112.5 | S692 M693 | S692-E696 WeakPolarHBondContact O-CG 3.4Å; S692-E696 PolarHBondContact O-N 3.07Å; M693-E696 PolarHBondContact O-N 3.3Å |
| 697 | V | 95.6 | Very high | 93.8 | Very high | 45 Ų | 45 | 58.2 Ų | 58.2 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 11.4 | -178.9 | -48.3 | 0 | 0 | 0 | 0 | 113.3 | M693 R695 V704 T706 | M693-V697 WeakPolarHBondContact O-CG2 3.33Å; M693-V697 PolarHBondContact O-N 2.94Å; M693-V697 VanDerWaalsContact O-N 3.16Å; R695-V697 PolarHBondContact O-N 3.11Å; V697-V704 HydrophobicContact CG2-CG1 3.56Å; V697-T706 HydrophobicContact CG2-CG2 4.07Å |
| 698 | A | 94.2 | Very high | 93.7 | Very high | 27 Ų | 27 | 61.7 Ų | 61.7 | 22% | 0.223 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -74.6 | 134.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | L402 F404 A694 R695 S703 V704 | L402-A698 HydrophobicContact CD1-CB 3.91Å; F404-A698 HydrophobicContact CE1-CB 4.07Å; F404-A698 HydrophobicContact CZ-CB 4.19Å; A694-A698 VanDerWaalsContact O-CB 3.3Å; A694-A698 WeakPolarHBondContact O-CB 3.48Å; A694-A698 PolarHBondContact O-N 2.78Å; R695-A698 PolarHBondContact O-N 3.05Å; A698-S703 CarbonylContact C-O 3.48Å; A698-S703 WeakPolarHBondContact CA-O 3.36Å; A698-V704 HydrophobicContact CB-CG2 4.41Å |
| 699 | A | 91.5 | Very high | 93.6 | Very high | 50 Ų | 50 | 61.5 Ų | 61.5 | 41% | 0.413 | 33% | 0.327 | S | S | . | . | trans | -76.7 | 171.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D701 G702 S703 | A699-D701 WeakPolarHBondContact CB-OD1 3.09Å; A699-D701 PolarHBondContact O-N 2.83Å; A699-G702 PolarHBondContact O-N 3.39Å; A699-S703 PolarHBondContact N-O 2.98Å | ||
| 700 | E | 84.2 | Confident | 93.6 | Very high | 207 Ų | 207 | 64.9 Ų | 64.9 | 97% | 0.967 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -29 | -179.6 | -65.9 | -175.5 | 171 | 0 | 0 | 113.5 | G702 | E700-G702 PolarHBondContact O-N 3.16Š|
| 701 | D | 85 | Confident | 93.6 | Very high | 129 Ų | 129 | 65.4 Ų | 65.4 | 69% | 0.69 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -0.7 | 176.7 | 73.5 | -15.3 | 0 | 0 | 0 | 113.5 | A699 S703 | A699-D701 WeakPolarHBondContact CB-OD1 3.09Å; A699-D701 PolarHBondContact O-N 2.83Å; D701-S703 VanDerWaalsContact C-N 3.29Å; D701-S703 WeakPolarHBondContact OD1-CB 3.24Å; D701-S703 PolarHBondContact OD1-N 3.48Å; D701-S703 PolarHBondContact OD1-OG 3.4Å; D701-S703 PolarHBondContact OD2-OG 3.14Å |
| 702 | G | 83.8 | Confident | 93.7 | Very high | 19 Ų | 19 | 65.4 Ų | 65.4 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 79.9 | 3.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A699 E700 | A699-G702 PolarHBondContact O-N 3.39Å; E700-G702 PolarHBondContact O-N 3.16Å |
| 703 | S | 90.3 | Very high | 93.8 | Very high | 52 Ų | 52 | 64.1 Ų | 64.1 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | trans | -67.8 | 143.9 | 169.8 | 67.5 | 0 | 0 | 0 | 0 | 110.3 | A698 A699 D701 | A698-S703 CarbonylContact C-O 3.48Å; A698-S703 WeakPolarHBondContact CA-O 3.36Å; A699-S703 PolarHBondContact N-O 2.98Å; D701-S703 VanDerWaalsContact C-N 3.29Å; D701-S703 WeakPolarHBondContact OD1-CB 3.24Å; D701-S703 PolarHBondContact OD1-N 3.48Å; D701-S703 PolarHBondContact OD1-OG 3.4Å; D701-S703 PolarHBondContact OD2-OG 3.14Å | ||
| 704 | V | 95.3 | Very high | 93.8 | Very high | 15 Ų | 15 | 62.4 Ų | 62.4 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -113.9 | 126.3 | -176.8 | 174.8 | 0 | 0 | 0 | 0 | 107.4 | F404 N494 P524 A694 V697 A698 | F404-V704 HydrophobicContact CD1-CG2 3.79Å; F404-V704 HydrophobicContact CE1-CG2 3.66Å; N494-V704 HydrophobicContact CB-CB 4.14Å; N494-V704 HydrophobicContact CB-CG2 3.86Å; P524-V704 HydrophobicContact CG-CG1 4.37Å; A694-V704 HydrophobicContact CB-CG1 4.41Å; A694-V704 HydrophobicContact CB-CG2 4.21Å; V697-V704 HydrophobicContact CG2-CG1 3.56Å; A698-V704 HydrophobicContact CB-CG2 4.41Å |
| 705 | Y | 97.1 | Very high | 93.8 | Very high | 131 Ų | 131 | 62.5 Ų | 62.5 | 51% | 0.514 | 33% | 0.33 | S | S | . | . | trans | -141.9 | 125.2 | 177 | -178.6 | -87.5 | 0 | 0 | 0 | 110.8 | K519 C522 | K519-Y705 HydrophobicContact CB-CE2 4.41Å; C522-Y705 HydrophobicContact CB-CD2 3.63Å; C522-Y705 HydrophobicContact CB-CE2 3.48Å; C522-Y705 VanDerWaalsContact CB-CE2 3.48Å; C522-Y705 HydrophobicContact CB-CG 4.32Å; C522-Y705 CarbonylContact O-C 3.39Å; C522-Y705 WeakPolarHBondContact O-CA 3.13Å | ||
| 706 | T | 96.5 | Very high | 93.7 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 7% | 0.067 | 31% | 0.308 | C | S | . | . | trans | -153.8 | 124 | 172.6 | -177.9 | 0 | 0 | 0 | 0 | 111 | C522 P524 V697 T711 | C522-T706 CarbonylContact C-O 3.43Å; C522-T706 WeakPolarHBondContact CA-O 3.32Å; C522-T706 WeakPolarHBondContact CB-O 3.36Å; C522-T706 PolarHBondContact O-N 3.06Å; P524-T706 HydrophobicContact CG-CG2 4.14Å; V697-T706 HydrophobicContact CG2-CG2 4.07Å; T706-T711 HydrophobicContact CG2-CG2 3.87Å; T706-T711 WeakPolarHBondContact CG2-OG1 3.38Å; T706-T711 WeakPolarHBondContact OG1-CG2 3.42Å | ||
| 707 | D | 94.8 | Very high | 93.3 | Very high | 100 Ų | 100 | 50.6 Ų | 50.6 | 54% | 0.535 | 28% | 0.281 | S | S | . | . | trans | -94.7 | -11.9 | 172.1 | 59.1 | -2.2 | 0 | 0 | 0 | 112.5 | R515 P709 | R515-D707 PolarHBondContact NH1-O 2.91Å; R515-D707 VanDerWaalsContact NH1-O 3.13Å; D707-P709 WeakPolarHBondContact O-CD 3.44Å | ||
| 708 | N | 95.6 | Very high | 92.8 | Very high | 74 Ų | 74 | 50 Ų | 50 | 40% | 0.396 | 28% | 0.276 | S | S | . | . | trans | -54.5 | 118.7 | -178.5 | -175.7 | -21 | 0 | 0 | 0 | 111.5 | R515 N710 T711 | R515-N708 VanDerWaalsContact NH1-C 3.33Å; R515-N708 PolarHBondContact NH1-O 3.36Å; N708-N710 PolarHBondContact O-N 3.33Å; N708-N710 WeakPolarHBondContact OD1-CB 3.42Å; N708-N710 PolarHBondContact OD1-N 2.86Å; N708-T711 HydrophobicContact CB-CG2 4.33Å; N708-T711 PolarHBondContact O-N 3.18Å; N708-T711 PolarHBondContact O-OG1 2.84Å | ||
| 709 | P | 93.3 | Very high | 92 | Very high | 60 Ų | 60 | 54.4 Ų | 54.4 | 39% | 0.39 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -50.7 | -30.3 | 178.7 | -31.6 | 37.7 | 0 | 0 | 0 | 115 | D707 T711 A712 L728 | D707-P709 WeakPolarHBondContact O-CD 3.44Å; P709-T711 PolarHBondContact O-N 3.34Å; P709-T711 VanDerWaalsContact O-N 3.16Å; P709-A712 PolarHBondContact O-N 3.07Å; P709-A712 VanDerWaalsContact O-N 3.17Å; P709-L728 HydrophobicContact CB-CD1 4.17Å |
| 710 | N | 95.5 | Very high | 91.3 | Very high | 92 Ų | 92 | 57 Ų | 57 | 49% | 0.492 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -74.4 | -0.4 | -177.3 | -62.4 | -18.8 | 0 | 0 | 0 | 113.8 | N708 L713 P726 | N708-N710 PolarHBondContact O-N 3.33Å; N708-N710 WeakPolarHBondContact OD1-CB 3.42Å; N708-N710 PolarHBondContact OD1-N 2.86Å; N710-L713 WeakPolarHBondContact O-CD2 3.49Å; N710-L713 WeakPolarHBondContact O-CG 3.25Å; N710-P726 HydrophobicContact CB-CG 4.38Å; N710-P726 WeakPolarHBondContact OD1-CG 3.38Å |
| 711 | T | 97.2 | Very high | 91.2 | Very high | 12 Ų | 12 | 53.6 Ų | 53.6 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -94.6 | -1.4 | 171.6 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | R515 P524 M525 T706 N708 P709 | R515-T711 PolarHBondContact NH1-OG1 3.03Å; R515-T711 VanDerWaalsContact NH1-OG1 3.17Å; R515-T711 PolarHBondContact NH2-OG1 3.14Å; P524-T711 WeakPolarHBondContact CA-O 3.33Å; M525-T711 PolarHBondContact N-O 3.01Å; M525-T711 VanDerWaalsContact O-O 3.1Å; T706-T711 HydrophobicContact CG2-CG2 3.87Å; T706-T711 WeakPolarHBondContact CG2-OG1 3.38Å; T706-T711 WeakPolarHBondContact OG1-CG2 3.42Å; N708-T711 HydrophobicContact CB-CG2 4.33Å; N708-T711 PolarHBondContact O-N 3.18Å; N708-T711 PolarHBondContact O-OG1 2.84Å; P709-T711 PolarHBondContact O-N 3.34Å; P709-T711 VanDerWaalsContact O-N 3.16Å |
| 712 | A | 98.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 99.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | T512 M525 P709 P726 V727 | T512-A712 HydrophobicContact CG2-CB 3.94Å; T512-A712 WeakPolarHBondContact OG1-CB 3.21Å; M525-A712 HydrophobicContact CB-CB 4.43Å; M525-A712 HydrophobicContact CE-CB 4.12Å; M525-A712 CarbonylContact O-C 3.16Å; M525-A712 WeakPolarHBondContact O-CA 3.5Å; P709-A712 PolarHBondContact O-N 3.07Å; P709-A712 VanDerWaalsContact O-N 3.17Å; A712-P726 WeakPolarHBondContact O-CA 3.46Å; A712-V727 HydrophobicContact CB-CG2 3.92Å; A712-V727 PolarHBondContact O-N 3.38Å |
| 713 | L | 98 | Very high | 91.7 | Very high | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.052 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 155.2 | -165.4 | -64.5 | 170 | 0 | 0 | 0 | 112.4 | M525 A526 V527 V689 M693 N710 L724 T725 P726 | M525-L713 PolarHBondContact O-N 3.01Å; A526-L713 CarbonylContact C-O 3.53Å; A526-L713 VanDerWaalsContact CA-O 3.22Å; A526-L713 WeakPolarHBondContact CA-O 3.36Å; V527-L713 PolarHBondContact N-O 2.67Å; V689-L713 HydrophobicContact CG1-CD1 4.25Å; M693-L713 HydrophobicContact CE-CD1 3.3Å; M693-L713 HydrophobicContact CE-CG 4.47Å; M693-L713 HydrophobicContact SD-CD1 3.95Å; N710-L713 WeakPolarHBondContact O-CD2 3.49Å; N710-L713 WeakPolarHBondContact O-CG 3.25Å; L713-L724 HydrophobicContact CB-CD2 4.2Å; L713-L724 HydrophobicContact CD1-CB 4.12Å; L713-L724 HydrophobicContact CD1-CD1 4.33Å; L713-L724 HydrophobicContact CD1-CD2 4.16Å; L713-L724 HydrophobicContact CD1-CG 4.44Å; L713-L724 HydrophobicContact CD2-CB 4.33Å; L713-T725 CarbonylContact C-O 3.5Å; L713-T725 WeakPolarHBondContact CA-O 3.45Å; L713-P726 HydrophobicContact CD2-CG 4.13Å |
| 714 | L | 97.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.3 | 163.3 | -177.1 | 144 | 0 | 0 | 0 | 108.2 | Y505 V527 P529 V536 P537 A539 G716 L724 T725 V727 L730 | Y505-L714 HydrophobicContact CD2-CD1 3.8Å; Y505-L714 HydrophobicContact CG-CD1 4.31Å; V527-L714 HydrophobicContact CB-CB 4.33Å; V527-L714 HydrophobicContact CB-CD1 4.21Å; V527-L714 HydrophobicContact CB-CG 4.23Å; V527-L714 HydrophobicContact CG1-CD1 4.1Å; V527-L714 HydrophobicContact CG1-CG 4.48Å; P529-L714 HydrophobicContact CG-CD1 4.12Å; P529-L714 HydrophobicContact CG-CD2 3.81Å; P529-L714 HydrophobicContact CG-CG 3.97Å; V536-L714 HydrophobicContact CG1-CD1 3.65Å; P537-L714 WeakPolarHBondContact O-CD1 3.44Å; P537-L714 WeakPolarHBondContact O-CD2 3.29Å; A539-L714 HydrophobicContact CB-CD2 4.47Å; L714-G716 PolarHBondContact O-N 3.37Å; L714-L724 WeakPolarHBondContact O-CA 3.49Å; L714-T725 PolarHBondContact N-O 3.45Å; L714-T725 PolarHBondContact O-N 3.14Å; L714-V727 HydrophobicContact CB-CG1 4.17Å; L714-L730 HydrophobicContact CB-CD1 3.79Å; L714-L730 HydrophobicContact CD1-CD1 4.1Å; L714-L730 HydrophobicContact CD2-CD1 4.05Å; L714-L730 HydrophobicContact CG-CD1 4.2Å |
| 715 | L | 96.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 108.2 | 171.9 | -179.2 | 63.2 | 0 | 0 | 0 | 108.8 | V527 P529 M682 H685 V686 A722 L724 | V527-L715 PolarHBondContact O-N 3.06Å; P529-L715 WeakPolarHBondContact CD-O 3.45Å; M682-L715 HydrophobicContact CB-CD2 3.88Å; M682-L715 HydrophobicContact CE-CB 4.38Å; M682-L715 HydrophobicContact CE-CD2 4.29Å; M682-L715 HydrophobicContact CE-CG 4.05Å; M682-L715 WeakPolarHBondContact CE-O 3.27Å; M682-L715 HydrophobicContact CG-CD2 4.11Å; M682-L715 WeakPolarHBondContact O-CD2 3.4Å; H685-L715 HydrophobicContact CB-CD2 4.05Å; V686-L715 HydrophobicContact CG2-CB 3.72Å; V686-L715 HydrophobicContact CG2-CD2 3.49Å; V686-L715 VanDerWaalsContact CG2-CD2 3.49Å; V686-L715 HydrophobicContact CG2-CG 4.22Å; L715-A722 HydrophobicContact CD1-CB 4.11Å; L715-L724 HydrophobicContact CB-CD2 3.86Å; L715-L724 HydrophobicContact CD1-CD2 3.79Å; L715-L724 HydrophobicContact CD1-CG 3.96Å; L715-L724 HydrophobicContact CG-CD2 4.38Å |
| 716 | G | 92.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 162.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G538 L714 A722 Q723 | G538-G716 WeakPolarHBondContact O-CA 3.34Å; L714-G716 PolarHBondContact O-N 3.37Å; G716-A722 CarbonylContact O-C 3.29Å; G716-A722 WeakPolarHBondContact O-CA 3.31Å; G716-Q723 PolarHBondContact N-O 3.38Å; G716-Q723 PolarHBondContact O-N 3.03Å |
| 717 | V | 87.2 | Confident | 92 | Very high | 27 Ų | 27 | 47 Ų | 47 | 16% | 0.164 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 108.5 | 161.5 | -179.9 | 0 | 0 | 0 | 0 | 106.6 | N540 Y541 M678 | N540-V717 VanDerWaalsContact CB-O 3.26Å; N540-V717 WeakPolarHBondContact CB-O 3.45Å; N540-V717 PolarHBondContact N-O 2.97Å; Y541-V717 HydrophobicContact CD2-CG1 4.45Å; M678-V717 HydrophobicContact CE-CB 4.48Å; M678-V717 HydrophobicContact CE-CG2 3.78Å |
| 718 | L | 83.8 | Confident | 92 | Very high | 33 Ų | 33 | 44.4 Ų | 44.4 | 17% | 0.173 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.7 | 177.8 | -72.9 | 172.1 | 0 | 0 | 0 | 108.7 | G538 R720 H721 Q723 | G538-L718 WeakPolarHBondContact O-CD1 3.36Å; G538-L718 VanDerWaalsContact O-CG 3.29Å; G538-L718 WeakPolarHBondContact O-CG 3.23Å; L718-R720 PolarHBondContact O-N 2.88Å; L718-H721 PolarHBondContact N-O 3.4Å; L718-H721 PolarHBondContact O-N 3.26Å; L718-H721 VanDerWaalsContact O-O 3.08Å; L718-Q723 HydrophobicContact CB-CB 4.36Å; L718-Q723 HydrophobicContact CD1-CB 4.18Å; L718-Q723 HydrophobicContact CD1-CG 4.26Å; L718-Q723 VanDerWaalsContact CD1-OE1 3.3Å |
| 719 | H | 76.9 | Confident | 92.1 | Very high | 120 Ų | 120 | 45 Ų | 45 | 56% | 0.556 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48 | -118.3 | -172.6 | -51.5 | -75.5 | 0 | 0 | 0 | 110.2 | G338 V340 N540 | G338-H719 CarbonylContact O-C 3.54Å; V340-H719 HydrophobicContact CG2-CB 4.34Å; N540-H719 PolarHBondContact ND2-N 3.32Å |
| 720 | R | 78.4 | Confident | 92.2 | Very high | 105 Ų | 105 | 42.8 Ų | 42.8 | 40% | 0.396 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -4.8 | -173.2 | -49.8 | -171.8 | -176.3 | 176.4 | 12.2 | 114.5 | D337 V340 L718 | D337-R720 WeakPolarHBondContact O-CG 3.46Å; D337-R720 IonicContact OD2-CZ 3.53Å; D337-R720 IonicContact OD2-NE 3.37Å; D337-R720 IonicContact OD2-NH1 2.75Å; D337-R720 PolarHBondContact OD2-NH1 3.37Å; V340-R720 HydrophobicContact CG2-CG 4.33Å; L718-R720 PolarHBondContact O-N 2.88Å |
| 721 | H | 81.6 | Confident | 92.2 | Very high | 134 Ų | 134 | 41.9 Ų | 41.9 | 62% | 0.62 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.6 | -165.4 | -59.1 | -41.4 | 0 | 0 | 0 | 112.6 | L718 Q723 | L718-H721 PolarHBondContact N-O 3.4Å; L718-H721 PolarHBondContact O-N 3.26Å; L718-H721 VanDerWaalsContact O-O 3.08Å; H721-Q723 PolarHBondContact O-N 3.13Å |
| 722 | A | 86.2 | Confident | 91.9 | Very high | 60 Ų | 60 | 49.4 Ų | 49.4 | 50% | 0.496 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 119.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | L715 G716 | L715-A722 HydrophobicContact CD1-CB 4.11Å; G716-A722 CarbonylContact O-C 3.29Å; G716-A722 WeakPolarHBondContact O-CA 3.31Å |
| 723 | Q | 91.9 | Very high | 91.7 | Very high | 86 Ų | 86 | 56.9 Ų | 56.9 | 40% | 0.402 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 130.7 | -175.4 | -177.7 | 172.4 | -13.1 | 0 | 0 | 109.4 | G716 L718 H721 | G716-Q723 PolarHBondContact N-O 3.38Å; G716-Q723 PolarHBondContact O-N 3.03Å; L718-Q723 HydrophobicContact CB-CB 4.36Å; L718-Q723 HydrophobicContact CD1-CB 4.18Å; L718-Q723 HydrophobicContact CD1-CG 4.26Å; L718-Q723 VanDerWaalsContact CD1-OE1 3.3Å; H721-Q723 PolarHBondContact O-N 3.13Å |
| 724 | L | 94.8 | Very high | 91.6 | Very high | 52 Ų | 52 | 56.9 Ų | 56.9 | 27% | 0.272 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 121.2 | 170.1 | -68.4 | 159.6 | 0 | 0 | 0 | 107.9 | V689 L713 L714 L715 | V689-L724 HydrophobicContact CB-CD1 4.37Å; V689-L724 HydrophobicContact CG1-CD1 3.87Å; V689-L724 HydrophobicContact CG2-CD1 3.65Å; L713-L724 HydrophobicContact CB-CD2 4.2Å; L713-L724 HydrophobicContact CD1-CB 4.12Å; L713-L724 HydrophobicContact CD1-CD1 4.33Å; L713-L724 HydrophobicContact CD1-CD2 4.16Å; L713-L724 HydrophobicContact CD1-CG 4.44Å; L713-L724 HydrophobicContact CD2-CB 4.33Å; L714-L724 WeakPolarHBondContact O-CA 3.49Å; L715-L724 HydrophobicContact CB-CD2 3.86Å; L715-L724 HydrophobicContact CD1-CD2 3.79Å; L715-L724 HydrophobicContact CD1-CG 3.96Å; L715-L724 HydrophobicContact CG-CD2 4.38Å |
| 725 | T | 96.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 133 | 178.7 | -52.6 | 0 | 0 | 0 | 0 | 109.6 | L713 L714 V727 E729 L730 | L713-T725 CarbonylContact C-O 3.5Å; L713-T725 WeakPolarHBondContact CA-O 3.45Å; L714-T725 PolarHBondContact N-O 3.45Å; L714-T725 PolarHBondContact O-N 3.14Å; T725-V727 PolarHBondContact O-N 3.41Å; T725-E729 HydrophobicContact CG2-CB 4.34Å; T725-E729 HydrophobicContact CG2-CG 4.48Å; T725-L730 HydrophobicContact CG2-CD1 4.29Å; T725-L730 HydrophobicContact CG2-CD2 3.75Å; T725-L730 HydrophobicContact CG2-CG 3.74Å |
| 726 | P | 97.4 | Very high | 91.5 | Very high | 17 Ų | 17 | 62 Ų | 62 | 11% | 0.11 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 132.9 | 172.3 | -26 | 35.3 | 0 | 0 | 0 | 111.9 | N710 A712 L713 L728 E729 L730 | N710-P726 HydrophobicContact CB-CG 4.38Å; N710-P726 WeakPolarHBondContact OD1-CG 3.38Å; A712-P726 WeakPolarHBondContact O-CA 3.46Å; L713-P726 HydrophobicContact CD2-CG 4.13Å; P726-L728 PolarHBondContact O-N 3.09Å; P726-E729 HydrophobicContact CB-CB 4.22Å; P726-E729 WeakPolarHBondContact O-CB 3.16Å; P726-E729 PolarHBondContact O-N 2.85Å; P726-E729 VanDerWaalsContact O-N 3.09Å; P726-L730 PolarHBondContact O-N 3.37Å |
| 727 | V | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.9 | -29.7 | -176.9 | -64.3 | 0 | 0 | 0 | 0 | 112.6 | Y505 C508 I509 V527 A712 L714 T725 L730 K731 | Y505-V727 HydrophobicContact CD2-CB 4.38Å; Y505-V727 HydrophobicContact CD2-CG1 4.28Å; Y505-V727 HydrophobicContact CE2-CB 4.11Å; Y505-V727 HydrophobicContact CE2-CG1 4.42Å; C508-V727 HydrophobicContact CB-CG1 4.17Å; I509-V727 HydrophobicContact CG1-CB 3.91Å; I509-V727 HydrophobicContact CG1-CG2 3.97Å; V527-V727 HydrophobicContact CG2-CG1 4.43Å; A712-V727 HydrophobicContact CB-CG2 3.92Å; A712-V727 PolarHBondContact O-N 3.38Å; L714-V727 HydrophobicContact CB-CG1 4.17Å; T725-V727 PolarHBondContact O-N 3.41Å; V727-L730 PolarHBondContact O-N 3.33Å; V727-K731 PolarHBondContact O-N 3.11Å; V727-K731 VanDerWaalsContact O-N 3.13Å |
| 728 | L | 96.6 | Very high | 92.1 | Very high | 46 Ų | 46 | 67.6 Ų | 67.6 | 24% | 0.241 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.1 | -29.9 | 176 | -62.1 | -171.4 | 0 | 0 | 0 | 112.8 | I509 T512 E513 P709 P726 L730 K731 | I509-L728 HydrophobicContact CG1-CD2 4.42Å; I509-L728 HydrophobicContact CG2-CD2 3.99Å; T512-L728 HydrophobicContact CG2-CD1 3.87Å; T512-L728 HydrophobicContact CG2-CG 4.1Å; E513-L728 HydrophobicContact CG-CD2 3.84Å; P709-L728 HydrophobicContact CB-CD1 4.17Å; P726-L728 PolarHBondContact O-N 3.09Å; L728-L730 VanDerWaalsContact C-N 3.34Å; L728-K731 VanDerWaalsContact O-CB 3.28Å; L728-K731 WeakPolarHBondContact O-CB 3.37Å; L728-K731 PolarHBondContact O-N 2.91Å |
| 729 | E | 95.9 | Very high | 92.7 | Very high | 87 Ų | 87 | 69.8 Ų | 69.8 | 41% | 0.407 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 172.1 | -174.1 | -170.1 | 150.3 | 0 | 0 | 110.4 | T725 P726 K731 | T725-E729 HydrophobicContact CG2-CB 4.34Å; T725-E729 HydrophobicContact CG2-CG 4.48Å; P726-E729 HydrophobicContact CB-CB 4.22Å; P726-E729 WeakPolarHBondContact O-CB 3.16Å; P726-E729 PolarHBondContact O-N 2.85Å; P726-E729 VanDerWaalsContact O-N 3.09Å; E729-K731 VanDerWaalsContact C-N 3.25Å; E729-K731 PolarHBondContact O-N 3.28Å |
| 730 | L | 95.8 | Very high | 93.6 | Very high | 13 Ų | 13 | 64.4 Ų | 64.4 | 7% | 0.068 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.9 | -27.6 | 176.9 | -65.8 | 175.3 | 0 | 0 | 0 | 112.5 | Y505 P537 L714 T725 P726 V727 L728 E732 R733 T734 | Y505-L730 HydrophobicContact CE2-CB 3.87Å; Y505-L730 HydrophobicContact CE2-CD1 4.23Å; Y505-L730 VanDerWaalsContact OH-CB 3.31Å; Y505-L730 WeakPolarHBondContact OH-CB 3.23Å; Y505-L730 PolarHBondContact OH-O 3.24Å; P537-L730 HydrophobicContact CB-CB 4.29Å; L714-L730 HydrophobicContact CB-CD1 3.79Å; L714-L730 HydrophobicContact CD1-CD1 4.1Å; L714-L730 HydrophobicContact CD2-CD1 4.05Å; L714-L730 HydrophobicContact CG-CD1 4.2Å; T725-L730 HydrophobicContact CG2-CD1 4.29Å; T725-L730 HydrophobicContact CG2-CD2 3.75Å; T725-L730 HydrophobicContact CG2-CG 3.74Å; P726-L730 PolarHBondContact O-N 3.37Å; V727-L730 PolarHBondContact O-N 3.33Å; L728-L730 VanDerWaalsContact C-N 3.34Å; L730-E732 PolarHBondContact O-N 3.5Å; L730-R733 CarbonylContact O-C 3.51Å; L730-R733 WeakPolarHBondContact O-CA 3.45Å; L730-R733 PolarHBondContact O-N 3.12Å; L730-T734 PolarHBondContact O-N 2.94Å; L730-T734 PolarHBondContact O-OG1 2.59Å |
| 731 | K | 95.8 | Very high | 94.4 | Very high | 73 Ų | 73 | 60.2 Ų | 60.2 | 32% | 0.317 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -55.7 | -40.1 | -180 | -173.9 | 175.8 | 178.6 | 170.9 | 0 | 111.6 | Y505 I509 E513 V727 L728 E729 R733 T734 F736 | Y505-K731 WeakPolarHBondContact OH-CA 3.24Å; Y505-K731 PolarHBondContact OH-N 2.95Å; I509-K731 HydrophobicContact CD1-CB 4.08Å; I509-K731 HydrophobicContact CD1-CG 4.29Å; I509-K731 HydrophobicContact CG2-CD 4.03Å; E513-K731 IonicContact OE1-NZ 3.15Å; E513-K731 PolarHBondContact OE1-NZ 2.96Å; E513-K731 IonicContact OE2-NZ 3.05Å; E513-K731 PolarHBondContact OE2-NZ 3.48Å; V727-K731 PolarHBondContact O-N 3.11Å; V727-K731 VanDerWaalsContact O-N 3.13Å; L728-K731 VanDerWaalsContact O-CB 3.28Å; L728-K731 WeakPolarHBondContact O-CB 3.37Å; L728-K731 PolarHBondContact O-N 2.91Å; E729-K731 VanDerWaalsContact C-N 3.25Å; E729-K731 PolarHBondContact O-N 3.28Å; K731-R733 PolarHBondContact O-N 3.18Å; K731-T734 PolarHBondContact O-N 2.87Å; K731-F736 HydrophobicContact CG-CE2 3.7Å; K731-F736 HydrophobicContact CG-CZ 3.82Å |
| 732 | E | 91.9 | Very high | 94.9 | Very high | 170 Ų | 170 | 59.9 Ų | 59.9 | 79% | 0.794 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -22.1 | 178.5 | -60.2 | -175 | 170.2 | 0 | 0 | 113.3 | L730 | L730-E732 PolarHBondContact O-N 3.5Š|
| 733 | R | 92.8 | Very high | 95 | Very high | 158 Ų | 158 | 63.4 Ų | 63.4 | 60% | 0.596 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 26.3 | -178.5 | -55.9 | -175.6 | -173.9 | 175.9 | 6.4 | 112.5 | L730 K731 M742 | L730-R733 CarbonylContact O-C 3.51Å; L730-R733 WeakPolarHBondContact O-CA 3.45Å; L730-R733 PolarHBondContact O-N 3.12Å; K731-R733 PolarHBondContact O-N 3.18Å; R733-M742 VanDerWaalsContact C-CG 3.48Å; R733-M742 VanDerWaalsContact O-CG 3.3Å; R733-M742 WeakPolarHBondContact O-CG 2.99Å; R733-M742 PolarHBondContact O-N 2.91Å; R733-M742 VanDerWaalsContact O-N 3.09Å |
| 734 | T | 96.9 | Very high | 95.1 | Very high | 10 Ų | 10 | 60.2 Ų | 60.2 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.6 | -176.6 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | F502 Y505 P537 L730 K731 F736 | F502-T734 HydrophobicContact CE2-CG2 3.6Å; F502-T734 HydrophobicContact CZ-CG2 3.43Å; F502-T734 VanDerWaalsContact CZ-CG2 3.43Å; Y505-T734 HydrophobicContact CE1-CG2 4.01Å; Y505-T734 PolarHBondContact OH-OG1 3.21Å; P537-T734 HydrophobicContact CG-CG2 3.85Å; P537-T734 VanDerWaalsContact CG-OG1 3.27Å; P537-T734 WeakPolarHBondContact CG-OG1 3.47Å; L730-T734 PolarHBondContact O-N 2.94Å; L730-T734 PolarHBondContact O-OG1 2.59Å; K731-T734 PolarHBondContact O-N 2.87Å; T734-F736 HydrophobicContact CG2-CD1 4.31Å; T734-F736 HydrophobicContact CG2-CD2 3.71Å; T734-F736 HydrophobicContact CG2-CE1 4.19Å; T734-F736 HydrophobicContact CG2-CE2 3.59Å; T734-F736 HydrophobicContact CG2-CG 4.08Å; T734-F736 HydrophobicContact CG2-CZ 3.83Å; T734-F736 PolarHBondContact O-N 2.66Å |
| 735 | D | 96.6 | Very high | 94.9 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 21% | 0.209 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 101.6 | 161.8 | -178.1 | -17.4 | 0 | 0 | 0 | 108.8 | A737 H738 R739 L740 M742 | D735-A737 WeakPolarHBondContact OD1-CB 3.27Å; D735-A737 PolarHBondContact OD1-N 2.96Å; D735-H738 PolarHBondContact OD1-N 2.72Å; D735-H738 IonicContact OD1-ND1 3.25Å; D735-H738 PolarHBondContact OD1-ND1 3.45Å; D735-H738 IonicContact OD2-CE1 3.38Å; D735-H738 IonicContact OD2-CG 3.63Å; D735-H738 IonicContact OD2-ND1 3.79Å; D735-H738 PolarHBondContact OD2-ND1 3.16Å; D735-R739 CarbonylContact O-C 3.44Å; D735-R739 WeakPolarHBondContact O-CA 3.34Å; D735-R739 PolarHBondContact O-N 3.35Å; D735-L740 HydrophobicContact CB-CB 4.32Å; D735-L740 PolarHBondContact N-O 3.44Å; D735-L740 PolarHBondContact O-N 3.07Å; D735-M742 HydrophobicContact CB-CE 3.95Å; D735-M742 HydrophobicContact CB-SD 4.43Å |
| 736 | F | 95.9 | Very high | 94.8 | Very high | 70 Ų | 70 | 59.2 Ų | 59.2 | 31% | 0.307 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -25.6 | 178.8 | -77.1 | -89.6 | 0 | 0 | 0 | 113.5 | F502 Y505 H506 I509 K731 T734 | F502-F736 AromaticContact CE1-CD1 3.83Å; F502-F736 HydrophobicContact CE1-CD1 3.83Å; F502-F736 HydrophobicContact CE1-CE1 4.14Å; F502-F736 AromaticContact CZ-CD1 3.84Å; F502-F736 HydrophobicContact CZ-CD1 3.84Å; F502-F736 HydrophobicContact CZ-CE1 4.11Å; F502-F736 HydrophobicContact CZ-CG 4.37Å; Y505-F736 HydrophobicContact CE1-CE1 4.48Å; Y505-F736 HydrophobicContact CE1-CZ 4.3Å; H506-F736 AromaticContact CD2-CE1 3.95Å; I509-F736 HydrophobicContact CD1-CE1 4.35Å; I509-F736 HydrophobicContact CD1-CZ 3.86Å; K731-F736 HydrophobicContact CG-CE2 3.7Å; K731-F736 HydrophobicContact CG-CZ 3.82Å; T734-F736 HydrophobicContact CG2-CD1 4.31Å; T734-F736 HydrophobicContact CG2-CD2 3.71Å; T734-F736 HydrophobicContact CG2-CE1 4.19Å; T734-F736 HydrophobicContact CG2-CE2 3.59Å; T734-F736 HydrophobicContact CG2-CG 4.08Å; T734-F736 HydrophobicContact CG2-CZ 3.83Å; T734-F736 PolarHBondContact O-N 2.66Å |
| 737 | A | 95.6 | Very high | 94.6 | Very high | 81 Ų | 81 | 61.4 Ų | 61.4 | 67% | 0.669 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -45 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | D735 | D735-A737 WeakPolarHBondContact OD1-CB 3.27Å; D735-A737 PolarHBondContact OD1-N 2.96Å |
| 738 | H | 96 | Very high | 94.3 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 29% | 0.287 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -8.3 | 178.6 | -54.1 | 103.1 | 0 | 0 | 0 | 113.3 | Y579 F599 D735 L740 | Y579-H738 HydrophobicContact CD2-CB 3.98Å; Y579-H738 WeakPolarHBondContact CD2-O 3.43Å; Y579-H738 AromaticContact CE1-CD2 3.96Å; Y579-H738 HydrophobicContact CG-CB 3.98Å; F599-H738 HydrophobicContact CE1-CB 4.32Å; F599-H738 AromaticContact CZ-CD2 3.59Å; F599-H738 AromaticContact CZ-CG 3.87Å; F599-H738 AromaticContact CZ-NE2 3.73Å; D735-H738 PolarHBondContact OD1-N 2.72Å; D735-H738 IonicContact OD1-ND1 3.25Å; D735-H738 PolarHBondContact OD1-ND1 3.45Å; D735-H738 IonicContact OD2-CE1 3.38Å; D735-H738 IonicContact OD2-CG 3.63Å; D735-H738 IonicContact OD2-ND1 3.79Å; D735-H738 PolarHBondContact OD2-ND1 3.16Å; H738-L740 HydrophobicContact CB-CD1 3.93Å; H738-L740 HydrophobicContact CB-CG 4.12Å |
| 739 | R | 96.9 | Very high | 94.1 | Very high | 79 Ų | 79 | 63.3 Ų | 63.3 | 30% | 0.298 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 53.2 | -178.5 | -56.5 | 168.6 | 49 | 167.6 | -3 | 112.1 | F502 E503 N535 D735 | F502-R739 HydrophobicContact CB-CB 4.49Å; F502-R739 HydrophobicContact CD1-CB 3.96Å; F502-R739 HydrophobicContact CD1-CG 3.84Å; F502-R739 HydrophobicContact CD2-CB 3.8Å; F502-R739 HydrophobicContact CE1-CB 4.06Å; F502-R739 HydrophobicContact CE1-CG 3.84Å; F502-R739 HydrophobicContact CE2-CB 3.89Å; F502-R739 HydrophobicContact CG-CB 3.83Å; F502-R739 HydrophobicContact CG-CG 4.21Å; F502-R739 HydrophobicContact CZ-CB 4.02Å; F502-R739 HydrophobicContact CZ-CG 4.21Å; E503-R739 IonicContact OE1-CZ 3.07Å; E503-R739 IonicContact OE1-NH1 2.85Å; E503-R739 PolarHBondContact OE1-NH1 3.02Å; E503-R739 IonicContact OE1-NH2 3.75Å; E503-R739 PolarHBondContact OE1-NH2 3.49Å; E503-R739 IonicContact OE2-CZ 2.77Å; E503-R739 IonicContact OE2-NH2 2.58Å; E503-R739 PolarHBondContact OE2-NH2 3.21Å; N535-R739 PolarHBondContact ND2-O 3.37Å; D735-R739 CarbonylContact O-C 3.44Å; D735-R739 WeakPolarHBondContact O-CA 3.34Å; D735-R739 PolarHBondContact O-N 3.35Å |
| 740 | L | 96.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148.9 | -176.3 | -66.7 | 174.5 | 0 | 0 | 0 | 111.8 | N535 C580 F599 D735 H738 | N535-L740 HydrophobicContact CB-CD2 4.4Å; C580-L740 HydrophobicContact CB-CD2 3.56Å; F599-L740 HydrophobicContact CD1-CD1 3.84Å; F599-L740 HydrophobicContact CE1-CD1 3.92Å; D735-L740 HydrophobicContact CB-CB 4.32Å; D735-L740 PolarHBondContact N-O 3.44Å; D735-L740 PolarHBondContact O-N 3.07Å; H738-L740 HydrophobicContact CB-CD1 3.93Å; H738-L740 HydrophobicContact CB-CG 4.12Å |
| 741 | P | 94.7 | Very high | 93.7 | Very high | 17 Ų | 17 | 60.6 Ų | 60.6 | 11% | 0.11 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 143.6 | 159.7 | 30.9 | -31.7 | 0 | 0 | 0 | 110.5 | P537 D743 Q744 | P537-P741 HydrophobicContact CB-CB 4.35Å; P537-P741 HydrophobicContact CG-CB 4.31Å; P741-D743 VanDerWaalsContact C-N 3.32Å; P741-Q744 HydrophobicContact CG-CG 3.74Å |
| 742 | M | 91 | Very high | 93.5 | Very high | 126 Ų | 126 | 57.1 Ų | 57.1 | 62% | 0.621 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -68 | -32.2 | 176.4 | -68.6 | -68.5 | -175.4 | 0 | 0 | 112.7 | R733 D735 | R733-M742 VanDerWaalsContact C-CG 3.48Å; R733-M742 VanDerWaalsContact O-CG 3.3Å; R733-M742 WeakPolarHBondContact O-CG 2.99Å; R733-M742 PolarHBondContact O-N 2.91Å; R733-M742 VanDerWaalsContact O-N 3.09Å; D735-M742 HydrophobicContact CB-CE 3.95Å; D735-M742 HydrophobicContact CB-SD 4.43Å |
| 743 | D | 89.5 | Confident | 93.6 | Very high | 134 Ų | 134 | 49.1 Ų | 49.1 | 72% | 0.717 | 24% | 0.244 | S | C | * | . | trans | -106.3 | 127.8 | 174.6 | -176.4 | 25.2 | 0 | 0 | 0 | 110.9 | P741 | P741-D743 VanDerWaalsContact C-N 3.32Š| ||
| 744 | Q | 92.7 | Very high | 93.5 | Very high | 20 Ų | 20 | 44.5 Ų | 44.5 | 9% | 0.093 | 23% | 0.226 | C | C | . | . | trans | -132.8 | 91.9 | -172.7 | -71.3 | -175.1 | 100.1 | 0 | 0 | 110.1 | E600 P741 W746 L747 | E600-Q744 VanDerWaalsContact CG-NE2 3.33Å; E600-Q744 PolarHBondContact OE1-OE1 3.13Å; P741-Q744 HydrophobicContact CG-CG 3.74Å; Q744-W746 HydrophobicContact CB-CZ2 4.39Å; Q744-W746 PolarHBondContact O-N 3.26Å; Q744-L747 HydrophobicContact CB-CD1 3.75Å; Q744-L747 HydrophobicContact CB-CG 3.9Å; Q744-L747 WeakPolarHBondContact O-CB 3.27Å; Q744-L747 PolarHBondContact O-N 2.92Å; Q744-L747 VanDerWaalsContact O-N 3.08Å | ||
| 745 | W | 91.4 | Very high | 93.2 | Very high | 31 Ų | 31 | 44.9 Ų | 44.9 | 12% | 0.117 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -54.1 | -27.3 | -173.1 | 73.4 | -91.3 | 0 | 0 | 0 | 114.6 | N540 Y541 Y582 K748 L749 | N540-W745 VanDerWaalsContact CB-CD1 3.5Å; N540-W745 HydrophobicContact CB-CG 4.3Å; N540-W745 VanDerWaalsContact CG-CD1 3.4Å; N540-W745 PolarHBondContact O-NE1 3.48Å; Y541-W745 HydrophobicContact CD1-CZ2 4.18Å; Y541-W745 AromaticContact CE1-CH2 3.86Å; Y541-W745 HydrophobicContact CE1-CH2 3.86Å; Y541-W745 AromaticContact CE1-CZ2 3.31Å; Y541-W745 HydrophobicContact CE1-CZ2 3.31Å; Y541-W745 HydrophobicContact CE2-CZ2 4.47Å; Y541-W745 AromaticContact CZ-CH2 3.88Å; Y541-W745 AromaticContact CZ-CZ2 3.48Å; Y541-W745 VanDerWaalsContact CZ-CZ2 3.48Å; Y541-W745 VanDerWaalsContact OH-CH2 3.25Å; Y541-W745 WeakPolarHBondContact OH-CH2 2.93Å; Y541-W745 WeakPolarHBondContact OH-CZ2 3.48Å; Y582-W745 AromaticContact CE2-CZ2 3.98Å; Y582-W745 HydrophobicContact CE2-CZ2 3.98Å; W745-K748 VanDerWaalsContact O-CD 3.22Å; W745-K748 WeakPolarHBondContact O-CD 3.16Å; W745-K748 WeakPolarHBondContact O-CE 3.25Å; W745-K748 WeakPolarHBondContact O-CG 3.26Å; W745-L749 HydrophobicContact CH2-CD1 4.12Å; W745-L749 HydrophobicContact CZ3-CD1 3.69Å; W745-L749 HydrophobicContact CZ3-CG 4.47Å |
| 746 | W | 93.2 | Very high | 93 | Very high | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.011 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -82.2 | -14.2 | -173.5 | 56 | -95.1 | 0 | 0 | 0 | 112.8 | Y582 T585 I598 E600 Q744 K748 L749 | Y582-W746 HydrophobicContact CD2-CB 4.18Å; Y582-W746 AromaticContact CD2-CD1 3.5Å; Y582-W746 VanDerWaalsContact CD2-CD1 3.5Å; Y582-W746 HydrophobicContact CD2-CD2 4.18Å; Y582-W746 AromaticContact CD2-CG 3.68Å; Y582-W746 HydrophobicContact CD2-CG 3.68Å; Y582-W746 AromaticContact CD2-NE1 3.83Å; Y582-W746 HydrophobicContact CE2-CG 4.45Å; Y582-W746 VanDerWaalsContact N-CH2 3.3Å; Y582-W746 VanDerWaalsContact N-CZ2 3.32Å; T585-W746 HydrophobicContact CG2-CE3 4.22Å; T585-W746 HydrophobicContact CG2-CZ3 4.43Å; T585-W746 WeakPolarHBondContact OG1-CZ3 3.38Å; I598-W746 HydrophobicContact CD1-CH2 4.26Å; I598-W746 HydrophobicContact CD1-CZ3 3.95Å; E600-W746 VanDerWaalsContact CD-CH2 3.45Å; E600-W746 HydrophobicContact CG-CH2 4.19Å; E600-W746 VanDerWaalsContact OE1-CH2 3.22Å; E600-W746 WeakPolarHBondContact OE1-CH2 3.42Å; E600-W746 VanDerWaalsContact OE1-CZ2 3.26Å; E600-W746 WeakPolarHBondContact OE1-CZ2 3.43Å; Q744-W746 HydrophobicContact CB-CZ2 4.39Å; Q744-W746 PolarHBondContact O-N 3.26Å; W746-K748 PolarHBondContact O-N 2.93Å; W746-L749 VanDerWaalsContact O-CB 3.29Å; W746-L749 WeakPolarHBondContact O-CB 3.45Å; W746-L749 PolarHBondContact O-N 3.26Å |
| 747 | L | 94.1 | Very high | 92.6 | Very high | 62 Ų | 62 | 39.8 Ų | 39.8 | 33% | 0.325 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -58.9 | -32.6 | 176.7 | -72.2 | 173.7 | 0 | 0 | 0 | 112.2 | I598 E600 Q744 L749 H750 P751 | I598-L747 HydrophobicContact CD1-CD2 3.88Å; E600-L747 HydrophobicContact CB-CD1 4.28Å; E600-L747 HydrophobicContact CB-CD2 3.57Å; E600-L747 HydrophobicContact CG-CD1 4.46Å; E600-L747 HydrophobicContact CG-CD2 3.97Å; Q744-L747 HydrophobicContact CB-CD1 3.75Å; Q744-L747 HydrophobicContact CB-CG 3.9Å; Q744-L747 WeakPolarHBondContact O-CB 3.27Å; Q744-L747 PolarHBondContact O-N 2.92Å; Q744-L747 VanDerWaalsContact O-N 3.08Å; L747-L749 PolarHBondContact O-N 3.26Å; L747-L749 VanDerWaalsContact O-N 3.1Å; L747-H750 WeakPolarHBondContact O-CB 3.33Å; L747-H750 PolarHBondContact O-N 2.79Å; L747-P751 WeakPolarHBondContact O-CD 3.34Å |
| 748 | K | 91 | Very high | 91.8 | Very high | 86 Ų | 86 | 38.7 Ų | 38.7 | 37% | 0.374 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -63.9 | -14 | 175 | 77 | -162.1 | 175.7 | -172.6 | 0 | 114.3 | W745 W746 S766 | W745-K748 VanDerWaalsContact O-CD 3.22Å; W745-K748 WeakPolarHBondContact O-CD 3.16Å; W745-K748 WeakPolarHBondContact O-CE 3.25Å; W745-K748 WeakPolarHBondContact O-CG 3.26Å; W746-K748 PolarHBondContact O-N 2.93Å; K748-S766 VanDerWaalsContact NZ-CB 3.34Å |
| 749 | L | 93.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -87.8 | -14.6 | 176.2 | -58.8 | -179.5 | 0 | 0 | 0 | 112.8 | R310 L586 L589 W745 W746 L747 L752 L753 Y763 | R310-L749 HydrophobicContact CG-CD2 4.15Å; L586-L749 HydrophobicContact CD2-CD1 3.54Å; L589-L749 HydrophobicContact CD2-CB 4.28Å; W745-L749 HydrophobicContact CH2-CD1 4.12Å; W745-L749 HydrophobicContact CZ3-CD1 3.69Å; W745-L749 HydrophobicContact CZ3-CG 4.47Å; W746-L749 VanDerWaalsContact O-CB 3.29Å; W746-L749 WeakPolarHBondContact O-CB 3.45Å; W746-L749 PolarHBondContact O-N 3.26Å; L747-L749 PolarHBondContact O-N 3.26Å; L747-L749 VanDerWaalsContact O-N 3.1Å; L749-L752 WeakPolarHBondContact O-CB 3.33Å; L749-L752 PolarHBondContact O-N 3.33Å; L749-L752 VanDerWaalsContact O-N 3.15Å; L749-L753 PolarHBondContact O-N 2.68Å; L749-Y763 HydrophobicContact CD2-CE2 4.42Å |
| 750 | H | 90.3 | Very high | 88.2 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 3% | 0.032 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 176.5 | -167.9 | -71.6 | 0 | 0 | 0 | 112.3 | T585 A596 Q601 L747 L752 L753 R754 | T585-H750 HydrophobicContact CG2-CB 4.05Å; A596-H750 PolarHBondContact O-NE2 3.37Å; Q601-H750 PolarHBondContact OE1-CE1 3.1Å; Q601-H750 PolarHBondContact OE1-ND1 3.34Å; Q601-H750 PolarHBondContact OE1-NE2 3.1Å; L747-H750 WeakPolarHBondContact O-CB 3.33Å; L747-H750 PolarHBondContact O-N 2.79Å; H750-L752 VanDerWaalsContact C-N 3.26Å; H750-L752 PolarHBondContact O-N 3.49Å; H750-L753 WeakPolarHBondContact O-CB 3.48Å; H750-L753 PolarHBondContact O-N 3.24Å; H750-L753 VanDerWaalsContact O-N 3.12Å; H750-R754 PolarHBondContact O-N 3.41Å; H750-R754 VanDerWaalsContact O-N 3.1Å |
| 751 | P | 91.4 | Very high | 86.3 | Confident | 36 Ų | 36 | 45.5 Ų | 45.5 | 23% | 0.234 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56 | -36.9 | 169.6 | -28.7 | 36.5 | 0 | 0 | 0 | 114.1 | L747 R754 L755 S761 T762 | L747-P751 WeakPolarHBondContact O-CD 3.34Å; P751-R754 PolarHBondContact O-N 3.39Å; P751-L755 VanDerWaalsContact O-CB 3.3Å; P751-L755 WeakPolarHBondContact O-CB 3.45Å; P751-L755 PolarHBondContact O-N 3.29Å; P751-S761 WeakPolarHBondContact CA-OG 3.5Å; P751-S761 WeakPolarHBondContact CB-OG 3.18Å; P751-S761 PolarHBondContact O-OG 3.46Å; P751-T762 WeakPolarHBondContact CB-O 3.34Å |
| 752 | L | 93 | Very high | 84.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 177.2 | -178.8 | 59.8 | 0 | 0 | 0 | 111.6 | R310 A313 L589 L749 H750 R754 L755 L756 Y763 | R310-L752 HydrophobicContact CG-CD2 4.2Å; A313-L752 HydrophobicContact CB-CD1 3.66Å; A313-L752 HydrophobicContact CB-CD2 4.36Å; L589-L752 HydrophobicContact CD1-CD2 4.46Å; L589-L752 HydrophobicContact CD1-CG 4.26Å; L589-L752 HydrophobicContact CD2-CD2 4.23Å; L749-L752 WeakPolarHBondContact O-CB 3.33Å; L749-L752 PolarHBondContact O-N 3.33Å; L749-L752 VanDerWaalsContact O-N 3.15Å; H750-L752 VanDerWaalsContact C-N 3.26Å; H750-L752 PolarHBondContact O-N 3.49Å; L752-R754 VanDerWaalsContact C-N 3.32Å; L752-R754 PolarHBondContact O-N 3.49Å; L752-L755 PolarHBondContact O-N 2.97Å; L752-L756 HydrophobicContact CD1-CD1 3.92Å; L752-L756 HydrophobicContact CD1-CG 3.92Å; L752-L756 HydrophobicContact CG-CD1 3.91Å; L752-L756 HydrophobicContact CG-CG 4.31Å; L752-L756 WeakPolarHBondContact O-CB 3.3Å; L752-L756 VanDerWaalsContact O-CG 3.27Å; L752-L756 WeakPolarHBondContact O-CG 3.21Å; L752-L756 PolarHBondContact O-N 3.45Å; L752-Y763 HydrophobicContact CB-CD2 3.63Å; L752-Y763 HydrophobicContact CB-CE2 3.73Å; L752-Y763 HydrophobicContact CB-CG 4.1Å; L752-Y763 HydrophobicContact CD1-CD1 4.01Å; L752-Y763 HydrophobicContact CD1-CD2 4.49Å; L752-Y763 HydrophobicContact CD1-CE1 4.17Å; L752-Y763 HydrophobicContact CD1-CG 4.17Å; L752-Y763 HydrophobicContact CD2-CE1 4.35Å; L752-Y763 HydrophobicContact CD2-CE2 4.21Å; L752-Y763 HydrophobicContact CG-CD2 4.5Å; L752-Y763 HydrophobicContact CG-CE2 4.4Å |
| 753 | L | 93.8 | Very high | 82.8 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.1 | -48.9 | 173.6 | 177.1 | 155.4 | 0 | 0 | 0 | 110.6 | T585 L589 A596 L749 H750 L756 A757 | T585-L753 WeakPolarHBondContact O-CD1 3.32Å; L589-L753 HydrophobicContact CB-CB 4.41Å; L589-L753 HydrophobicContact CB-CD1 4.31Å; L589-L753 HydrophobicContact CD1-CB 4.35Å; A596-L753 HydrophobicContact CB-CD1 3.97Å; L749-L753 PolarHBondContact O-N 2.68Å; H750-L753 WeakPolarHBondContact O-CB 3.48Å; H750-L753 PolarHBondContact O-N 3.24Å; H750-L753 VanDerWaalsContact O-N 3.12Å; L753-L756 PolarHBondContact O-N 2.6Å; L753-A757 WeakPolarHBondContact O-CB 3.01Å; L753-A757 PolarHBondContact O-N 3.43Å; L753-A757 VanDerWaalsContact O-N 3.14Å |
| 754 | R | 90.6 | Very high | 81.3 | Confident | 61 Ų | 61 | 43.5 Ų | 43.5 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -45.7 | 179.5 | -68.5 | -168.3 | 75.3 | 140.7 | 5.4 | 112.2 | H750 P751 L752 L756 A757 A758 Y759 | H750-R754 PolarHBondContact O-N 3.41Å; H750-R754 VanDerWaalsContact O-N 3.1Å; P751-R754 PolarHBondContact O-N 3.39Å; L752-R754 VanDerWaalsContact C-N 3.32Å; L752-R754 PolarHBondContact O-N 3.49Å; R754-L756 PolarHBondContact O-N 2.87Å; R754-A757 CarbonylContact O-C 3.53Å; R754-A757 WeakPolarHBondContact O-CA 3.48Å; R754-A757 PolarHBondContact O-N 3.2Å; R754-A758 PolarHBondContact O-N 3.25Å; R754-Y759 WeakPolarHBondContact O-CB 3.24Å; R754-Y759 PolarHBondContact O-N 3.04Å |
| 755 | L | 91.2 | Very high | 79.4 | Confident | 17 Ų | 17 | 44.4 Ų | 44.4 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.5 | -51.8 | 176.4 | 179.1 | 64.7 | 0 | 0 | 0 | 110.3 | V35 W65 P751 L752 A757 A758 | V35-L755 HydrophobicContact CG1-CD2 4.43Å; V35-L755 HydrophobicContact CG2-CD2 4.05Å; W65-L755 VanDerWaalsContact CH2-O 3.27Å; W65-L755 WeakPolarHBondContact CH2-O 3.38Å; P751-L755 VanDerWaalsContact O-CB 3.3Å; P751-L755 WeakPolarHBondContact O-CB 3.45Å; P751-L755 PolarHBondContact O-N 3.29Å; L752-L755 PolarHBondContact O-N 2.97Å; L755-A757 PolarHBondContact O-N 3.34Å; L755-A758 PolarHBondContact O-N 3.24Å |
| 756 | L | 91.7 | Very high | 77.3 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -7.3 | 177.5 | -67.4 | 175.7 | 0 | 0 | 0 | 113.5 | R30 A31 R34 V35 W65 L589 L752 L753 R754 | R30-L756 PolarHBondContact NH2-O 2.84Å; R30-L756 VanDerWaalsContact NH2-O 3.15Å; A31-L756 HydrophobicContact CB-CD2 4.26Å; R34-L756 HydrophobicContact CB-CD2 3.79Å; R34-L756 VanDerWaalsContact CD-O 3.29Å; R34-L756 WeakPolarHBondContact CD-O 3.5Å; R34-L756 PolarHBondContact NH1-O 2.93Å; V35-L756 HydrophobicContact CG2-CD2 3.8Å; W65-L756 VanDerWaalsContact CZ2-O 3.28Å; W65-L756 WeakPolarHBondContact CZ2-O 3.4Å; L589-L756 HydrophobicContact CD1-CD1 3.7Å; L752-L756 HydrophobicContact CD1-CD1 3.92Å; L752-L756 HydrophobicContact CD1-CG 3.92Å; L752-L756 HydrophobicContact CG-CD1 3.91Å; L752-L756 HydrophobicContact CG-CG 4.31Å; L752-L756 WeakPolarHBondContact O-CB 3.3Å; L752-L756 VanDerWaalsContact O-CG 3.27Å; L752-L756 WeakPolarHBondContact O-CG 3.21Å; L752-L756 PolarHBondContact O-N 3.45Å; L753-L756 PolarHBondContact O-N 2.6Å; R754-L756 PolarHBondContact O-N 2.87Å |
| 757 | A | 86.6 | Confident | 74.6 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 2% | 0.017 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 13.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D594 K618 L753 R754 L755 Y759 | D594-A757 HydrophobicContact CB-CB 4.46Å; D594-A757 WeakPolarHBondContact O-CB 3.3Å; K618-A757 WeakPolarHBondContact CE-O 3.36Å; K618-A757 PolarHBondContact NZ-O 3.18Å; L753-A757 WeakPolarHBondContact O-CB 3.01Å; L753-A757 PolarHBondContact O-N 3.43Å; L753-A757 VanDerWaalsContact O-N 3.14Å; R754-A757 CarbonylContact O-C 3.53Å; R754-A757 WeakPolarHBondContact O-CA 3.48Å; R754-A757 PolarHBondContact O-N 3.2Å; L755-A757 PolarHBondContact O-N 3.34Å; A757-Y759 VanDerWaalsContact C-N 3.33Å; A757-Y759 HydrophobicContact CB-CD2 4.05Å; A757-Y759 HydrophobicContact CB-CE2 4.4Å |
| 758 | A | 79.5 | Confident | 73.7 | Confident | 57 Ų | 57 | 50 Ų | 50 | 47% | 0.471 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 22.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | W65 R754 L755 | W65-A758 HydrophobicContact CD2-CB 4.33Å; W65-A758 HydrophobicContact CH2-CB 3.95Å; W65-A758 HydrophobicContact CZ2-CB 3.52Å; W65-A758 HydrophobicContact CZ3-CB 4.49Å; R754-A758 PolarHBondContact O-N 3.25Å; L755-A758 PolarHBondContact O-N 3.24Å |
| 759 | Y | 60.3 | Low | 72.8 | Confident | 33 Ų | 33 | 48.1 Ų | 48.1 | 13% | 0.129 | 29% | 0.292 | C | S | . | . | trans | -85.5 | 140.3 | 165.2 | -72.6 | -84.6 | 0 | 0 | 0 | 109.8 | D594 D611 A614 Y626 R754 A757 S761 | D594-Y759 WeakPolarHBondContact O-CE2 3.36Å; D611-Y759 PolarHBondContact OD1-OH 3.06Å; A614-Y759 HydrophobicContact CB-CE1 3.95Å; A614-Y759 VanDerWaalsContact CB-OH 3.27Å; A614-Y759 WeakPolarHBondContact CB-OH 3.26Å; Y626-Y759 PolarHBondContact OH-OH 3.46Å; R754-Y759 WeakPolarHBondContact O-CB 3.24Å; R754-Y759 PolarHBondContact O-N 3.04Å; A757-Y759 VanDerWaalsContact C-N 3.33Å; A757-Y759 HydrophobicContact CB-CD2 4.05Å; A757-Y759 HydrophobicContact CB-CE2 4.4Å; Y759-S761 PolarHBondContact O-N 3.1Å | ||
| 760 | K | 56.6 | Low | 71.6 | Confident | 224 Ų | 224 | 50.7 Ų | 50.7 | 97% | 0.974 | 31% | 0.308 | S | S | * | . | trans | -63.6 | 109.1 | 168.5 | -75.5 | -171.1 | 177.1 | -174.7 | 0 | 108.5 | ||||
| 761 | S | 55.6 | Low | 70.5 | Confident | 35 Ų | 35 | 53.3 Ų | 53.3 | 25% | 0.245 | 32% | 0.324 | C | S | . | . | trans | -150.8 | 138.1 | 178.8 | -171.8 | 0 | 0 | 0 | 0 | 109.6 | P751 Y759 | P751-S761 WeakPolarHBondContact CA-OG 3.5Å; P751-S761 WeakPolarHBondContact CB-OG 3.18Å; P751-S761 PolarHBondContact O-OG 3.46Å; Y759-S761 PolarHBondContact O-N 3.1Å | ||
| 762 | T | 52.3 | Low | 69.2 | Low | 135 Ų | 135 | 54.4 Ų | 54.4 | 83% | 0.828 | 33% | 0.329 | S | S | * | . | trans | -88 | 121.8 | 177.4 | -30.2 | 0 | 0 | 0 | 0 | 109.1 | P751 | P751-T762 WeakPolarHBondContact CB-O 3.34Š| ||
| 763 | Y | 60.4 | Low | 67.6 | Low | 24 Ų | 24 | 58 Ų | 58 | 9% | 0.094 | 35% | 0.351 | C | S | . | . | trans | -107.2 | 128.2 | 174.2 | 175.2 | -114.4 | 0 | 0 | 0 | 109.7 | A313 L317 L749 L752 T765 | A313-Y763 HydrophobicContact CB-CD1 4.44Å; A313-Y763 HydrophobicContact CB-CE1 4.04Å; L317-Y763 HydrophobicContact CD1-CD1 3.92Å; L317-Y763 HydrophobicContact CD1-CE1 4.13Å; L749-Y763 HydrophobicContact CD2-CE2 4.42Å; L752-Y763 HydrophobicContact CB-CD2 3.63Å; L752-Y763 HydrophobicContact CB-CE2 3.73Å; L752-Y763 HydrophobicContact CB-CG 4.1Å; L752-Y763 HydrophobicContact CD1-CD1 4.01Å; L752-Y763 HydrophobicContact CD1-CD2 4.49Å; L752-Y763 HydrophobicContact CD1-CE1 4.17Å; L752-Y763 HydrophobicContact CD1-CG 4.17Å; L752-Y763 HydrophobicContact CD2-CE1 4.35Å; L752-Y763 HydrophobicContact CD2-CE2 4.21Å; L752-Y763 HydrophobicContact CG-CD2 4.5Å; L752-Y763 HydrophobicContact CG-CE2 4.4Å; Y763-T765 HydrophobicContact CE1-CG2 3.99Å | ||
| 764 | A | 58.6 | Low | 65.8 | Low | 76 Ų | 76 | 62 Ų | 62 | 63% | 0.628 | 38% | 0.376 | S | S | * | . | trans | -113.3 | 137.2 | 174 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 765 | T | 51.9 | Low | 63.9 | Low | 39 Ų | 39 | 62.1 Ų | 62.1 | 24% | 0.239 | 39% | 0.387 | C | S | . | . | trans | -75.4 | 157.4 | -179.4 | 41.1 | 0 | 0 | 0 | 0 | 112.4 | D314 L317 Y763 A767 | D314-T765 HydrophobicContact CB-CG2 4.11Å; D314-T765 WeakPolarHBondContact OD1-CG2 3.46Å; L317-T765 HydrophobicContact CB-CG2 4.49Å; L317-T765 HydrophobicContact CD1-CG2 3.3Å; Y763-T765 HydrophobicContact CE1-CG2 3.99Å; T765-A767 PolarHBondContact O-N 3.21Å | ||
| 766 | S | 48 | Very low | 61.6 | Low | 36 Ų | 36 | 65.8 Ų | 65.8 | 25% | 0.252 | 41% | 0.412 | S | S | . | . | trans | -82.8 | 17.7 | -176.8 | 57.2 | 0 | 0 | 0 | 0 | 115 | K748 | K748-S766 VanDerWaalsContact NZ-CB 3.34Š| ||
| 767 | A | 37.5 | Very low | 58.9 | Low | 128 Ų | 128 | 71.7 Ų | 71.7 | 100% | 1.058 | 45% | 0.449 | S | S | * | . | trans | -103.1 | 0 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111 | T765 | T765-A767 PolarHBondContact O-N 3.21Š|
Retrieved 767 of 767 residues in 810.3 ms
(Link to these results)