| 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 | 97.4 | Very high | 97 | Very high | 58 Ų | 58 | 64.4 Ų | 64.4 | 29% | 0.286 | 31% | 0.308 | S | S | . | . | 0 | 19.3 | 0 | -52.1 | -45.2 | -73.2 | 0 | 0 | 114.5 | F3 G4 Y5 V18 W27 M29 | M1-F3 PolarHBondContact O-N 2.81Å; M1-G4 PolarHBondContact O-N 2.7Å; M1-Y5 HydrophobicContact CB-CD2 4.23Å; M1-Y5 HydrophobicContact CB-CE1 4.43Å; M1-Y5 HydrophobicContact CB-CE2 3.64Å; M1-Y5 HydrophobicContact CE-CD1 3.3Å; M1-Y5 HydrophobicContact CE-CD2 4.03Å; M1-Y5 HydrophobicContact CE-CE1 3.58Å; M1-Y5 HydrophobicContact CE-CE2 4.27Å; M1-Y5 HydrophobicContact CE-CG 3.53Å; M1-Y5 HydrophobicContact CG-CD1 4.5Å; M1-Y5 HydrophobicContact CG-CE1 3.84Å; M1-Y5 HydrophobicContact CG-CE2 3.97Å; M1-Y5 HydrophobicContact SD-CE1 4.41Å; M1-V18 HydrophobicContact CG-CG2 3.91Å; M1-V18 HydrophobicContact SD-CB 3.93Å; M1-V18 HydrophobicContact SD-CG1 4.22Å; M1-V18 HydrophobicContact SD-CG2 3.9Å; M1-W27 HydrophobicContact CE-CH2 3.7Å; M1-W27 HydrophobicContact CE-CZ3 3.89Å; M1-M29 HydrophobicContact CE-CB 4.22Å; M1-M29 HydrophobicContact CE-CE 4.41Å; M1-M29 HydrophobicContact CE-CG 4.27Å; M1-M29 HydrophobicContact SD-CB 3.57Å; M1-M29 VanDerWaalsContact SD-CB 3.57Å; M1-M29 HydrophobicContact SD-CG 3.56Å; M1-M29 VanDerWaalsContact SD-CG 3.56Å | |||
| 2 | R | 96.7 | Very high | 97.1 | Very high | 152 Ų | 152 | 65.6 Ų | 65.6 | 57% | 0.574 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -35.7 | -177.9 | -178.1 | 178 | 179.1 | -174.8 | -3 | 113.9 | Y130 | R2-Y130 HydrophobicContact CB-CE1 4.12Å; R2-Y130 WeakPolarHBondContact CD-OH 3.41Å |
| 3 | F | 96.9 | Very high | 97.2 | Very high | 18 Ų | 18 | 68.8 Ų | 68.8 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 23 | -175 | -59.3 | -63.5 | 0 | 0 | 0 | 113.9 | M1 Y130 L170 W178 F215 Q216 N217 L218 | M1-F3 PolarHBondContact O-N 2.81Å; F3-Y130 HydrophobicContact CD2-CD1 4.21Å; F3-Y130 HydrophobicContact CD2-CD2 4.04Å; F3-Y130 HydrophobicContact CD2-CE1 4.34Å; F3-Y130 HydrophobicContact CD2-CE2 4.23Å; F3-Y130 HydrophobicContact CD2-CG 4.04Å; F3-Y130 HydrophobicContact CE2-CD1 4.34Å; F3-Y130 AromaticContact CE2-CD2 3.62Å; F3-Y130 HydrophobicContact CE2-CD2 3.62Å; F3-Y130 HydrophobicContact CE2-CE1 4.15Å; F3-Y130 AromaticContact CE2-CE2 3.45Å; F3-Y130 HydrophobicContact CE2-CE2 3.45Å; F3-Y130 VanDerWaalsContact CE2-CE2 3.45Å; F3-Y130 HydrophobicContact CE2-CG 4.07Å; F3-Y130 AromaticContact CE2-CZ 3.71Å; F3-Y130 HydrophobicContact CZ-CE2 4.39Å; F3-L170 HydrophobicContact CD2-CD2 3.49Å; F3-L170 VanDerWaalsContact CD2-CD2 3.49Å; F3-L170 HydrophobicContact CE2-CD2 3.69Å; F3-L170 HydrophobicContact CG-CD2 3.99Å; F3-L170 HydrophobicContact CZ-CD2 4.37Å; F3-W178 HydrophobicContact CE1-CH2 4.47Å; F3-W178 AromaticContact CE2-CH2 3.59Å; F3-W178 HydrophobicContact CE2-CH2 3.59Å; F3-W178 AromaticContact CE2-CZ3 3.68Å; F3-W178 HydrophobicContact CE2-CZ3 3.68Å; F3-W178 AromaticContact CZ-CH2 3.3Å; F3-W178 HydrophobicContact CZ-CH2 3.3Å; F3-W178 AromaticContact CZ-CZ2 3.81Å; F3-W178 HydrophobicContact CZ-CZ2 3.81Å; F3-W178 AromaticContact CZ-CZ3 3.75Å; F3-W178 HydrophobicContact CZ-CZ3 3.75Å; F3-F215 HydrophobicContact CB-CB 4.04Å; F3-F215 HydrophobicContact CB-CD1 3.92Å; F3-F215 HydrophobicContact CB-CG 4.41Å; F3-F215 CarbonylContact O-C 3.25Å; F3-F215 VanDerWaalsContact O-C 3.25Å; F3-F215 VanDerWaalsContact O-CA 3.28Å; F3-F215 WeakPolarHBondContact O-CA 3.41Å; F3-Q216 PolarHBondContact O-N 3.02Å; F3-N217 PolarHBondContact O-N 3.49Å; F3-L218 HydrophobicContact CD1-CB 3.95Å; F3-L218 HydrophobicContact CD1-CD1 4.05Å; F3-L218 HydrophobicContact CE1-CB 4.45Å; F3-L218 HydrophobicContact CE1-CD1 3.67Å; F3-L218 HydrophobicContact CG-CB 4.48Å; F3-L218 HydrophobicContact CZ-CD1 4.23Å |
| 4 | G | 96.9 | Very high | 97.3 | Very high | 7 Ų | 7 | 65.7 Ų | 65.7 | 7% | 0.072 | 32% | 0.318 | C | S | . | . | trans | 97.7 | 162.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1 | M1-G4 PolarHBondContact O-N 2.7Š| ||
| 5 | Y | 98.1 | Very high | 97.3 | Very high | 76 Ų | 76 | 67.3 Ų | 67.3 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | trans | -90.6 | 134.2 | 170.3 | -73.8 | -104.6 | 0 | 0 | 0 | 108.8 | M1 G7 F8 L11 V18 W27 Q216 | M1-Y5 HydrophobicContact CB-CD2 4.23Å; M1-Y5 HydrophobicContact CB-CE1 4.43Å; M1-Y5 HydrophobicContact CB-CE2 3.64Å; M1-Y5 HydrophobicContact CE-CD1 3.3Å; M1-Y5 HydrophobicContact CE-CD2 4.03Å; M1-Y5 HydrophobicContact CE-CE1 3.58Å; M1-Y5 HydrophobicContact CE-CE2 4.27Å; M1-Y5 HydrophobicContact CE-CG 3.53Å; M1-Y5 HydrophobicContact CG-CD1 4.5Å; M1-Y5 HydrophobicContact CG-CE1 3.84Å; M1-Y5 HydrophobicContact CG-CE2 3.97Å; M1-Y5 HydrophobicContact SD-CE1 4.41Å; Y5-G7 VanDerWaalsContact C-N 3.33Å; Y5-F8 HydrophobicContact CD1-CE1 4.45Å; Y5-F8 HydrophobicContact CD2-CE1 4.1Å; Y5-F8 HydrophobicContact CG-CD1 4.4Å; Y5-F8 AromaticContact CG-CE1 3.86Å; Y5-F8 HydrophobicContact CG-CE1 3.86Å; Y5-F8 HydrophobicContact CG-CZ 4.41Å; Y5-L11 HydrophobicContact CD1-CD1 3.71Å; Y5-L11 HydrophobicContact CD1-CD2 4.06Å; Y5-L11 HydrophobicContact CE1-CD1 3.72Å; Y5-L11 HydrophobicContact CE1-CD2 4.33Å; Y5-V18 HydrophobicContact CE1-CG1 4.35Å; Y5-W27 HydrophobicContact CD1-CH2 4Å; Y5-W27 HydrophobicContact CD1-CZ2 4.44Å; Y5-Q216 PolarHBondContact O-NE2 3.12Å | ||
| 6 | P | 97.9 | Very high | 97.4 | Very high | 12 Ų | 12 | 64.1 Ų | 64.1 | 8% | 0.078 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -64.9 | -38.3 | 172.6 | -20.4 | 29.5 | 0 | 0 | 0 | 113.1 | W27 M29 F212 L213 | P6-W27 HydrophobicContact CB-CD2 4.15Å; P6-W27 HydrophobicContact CB-CG 4.18Å; P6-W27 HydrophobicContact CB-CZ2 4.5Å; P6-W27 HydrophobicContact CG-CD2 3.81Å; P6-W27 HydrophobicContact CG-CE3 4.17Å; P6-W27 HydrophobicContact CG-CG 4.16Å; P6-W27 HydrophobicContact CG-CZ2 4.3Å; P6-M29 HydrophobicContact CG-CE 3.42Å; P6-M29 VanDerWaalsContact CG-CE 3.42Å; P6-F212 HydrophobicContact CB-CB 4.04Å; P6-F212 HydrophobicContact CB-CD2 3.52Å; P6-F212 HydrophobicContact CB-CE2 4.1Å; P6-F212 HydrophobicContact CB-CG 3.92Å; P6-F212 WeakPolarHBondContact O-CB 3.48Å; P6-L213 WeakPolarHBondContact CA-O 3.49Å; P6-L213 WeakPolarHBondContact CB-O 3.46Å |
| 7 | G | 96.4 | Very high | 97.5 | Very high | 19 Ų | 19 | 60.7 Ų | 60.7 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | trans | -153.3 | -178.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y5 W27 | Y5-G7 VanDerWaalsContact C-N 3.33Å; G7-W27 VanDerWaalsContact O-CZ2 3.31Å; G7-W27 WeakPolarHBondContact O-CZ2 3.28Å | ||
| 8 | F | 97.2 | Very high | 97.6 | Very high | 151 Ų | 151 | 58.2 Ų | 58.2 | 66% | 0.662 | 28% | 0.282 | S | S | * | . | trans | -122.5 | 6.6 | -176.7 | -61.8 | -84.5 | 0 | 0 | 0 | 113.6 | Y5 N10 L11 | Y5-F8 HydrophobicContact CD1-CE1 4.45Å; Y5-F8 HydrophobicContact CD2-CE1 4.1Å; Y5-F8 HydrophobicContact CG-CD1 4.4Å; Y5-F8 AromaticContact CG-CE1 3.86Å; Y5-F8 HydrophobicContact CG-CE1 3.86Å; Y5-F8 HydrophobicContact CG-CZ 4.41Å; F8-N10 PolarHBondContact O-N 3.2Å; F8-L11 HydrophobicContact CB-CD1 4.47Å; F8-L11 HydrophobicContact CD1-CD1 4.02Å | ||
| 9 | D | 96.4 | Very high | 97.6 | Very high | 82 Ų | 82 | 55.2 Ų | 55.2 | 44% | 0.439 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 126.4 | -177 | -165.7 | 17.1 | 0 | 0 | 0 | 111.5 | L11 S20 Y21 H26 | D9-L11 VanDerWaalsContact C-N 3.34Å; D9-L11 PolarHBondContact O-N 3.18Å; D9-L11 VanDerWaalsContact O-N 3.11Å; D9-S20 PolarHBondContact O-OG 2.79Å; D9-Y21 PolarHBondContact O-N 3.14Å; D9-H26 IonicContact OD2-CD2 3.48Å; D9-H26 IonicContact OD2-CE1 3.44Å; D9-H26 IonicContact OD2-NE2 3.57Å; D9-H26 PolarHBondContact OD2-NE2 3.19Å |
| 10 | N | 95.8 | Very high | 97.7 | Very high | 86 Ų | 86 | 52.5 Ų | 52.5 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 39 | 52.5 | 177.2 | -64.8 | -55.2 | 0 | 0 | 0 | 115.7 | F8 Y21 | F8-N10 PolarHBondContact O-N 3.2Å; N10-Y21 WeakPolarHBondContact CB-O 3.23Å; N10-Y21 PolarHBondContact ND2-O 2.86Å |
| 11 | L | 97.5 | Very high | 97.6 | Very high | 47 Ų | 47 | 50.3 Ų | 50.3 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | trans | -64 | 140.4 | -179 | -68.3 | 174.5 | 0 | 0 | 0 | 113.1 | Y5 F8 D9 V18 V19 W27 | Y5-L11 HydrophobicContact CD1-CD1 3.71Å; Y5-L11 HydrophobicContact CD1-CD2 4.06Å; Y5-L11 HydrophobicContact CE1-CD1 3.72Å; Y5-L11 HydrophobicContact CE1-CD2 4.33Å; F8-L11 HydrophobicContact CB-CD1 4.47Å; F8-L11 HydrophobicContact CD1-CD1 4.02Å; D9-L11 VanDerWaalsContact C-N 3.34Å; D9-L11 PolarHBondContact O-N 3.18Å; D9-L11 VanDerWaalsContact O-N 3.11Å; L11-V18 HydrophobicContact CD2-CG1 4.45Å; L11-V19 CarbonylContact C-O 3.58Å; L11-V19 WeakPolarHBondContact CA-O 3.28Å; L11-W27 HydrophobicContact CD2-CH2 3.56Å; L11-W27 HydrophobicContact CD2-CZ2 3.59Å | ||
| 12 | R | 98.1 | Very high | 97.3 | Very high | 79 Ų | 79 | 50.8 Ų | 50.8 | 30% | 0.298 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133.9 | 168.3 | -64.4 | -65.1 | -178.9 | -94.9 | 2.9 | 109.6 | Y14 V18 V19 S55 | R12-Y14 HydrophobicContact CB-CE2 3.99Å; R12-V18 WeakPolarHBondContact O-CA 3.48Å; R12-V19 PolarHBondContact N-O 3.37Å; R12-V19 PolarHBondContact O-N 2.95Å; R12-S55 WeakPolarHBondContact CD-OG 3.26Å; R12-S55 PolarHBondContact NE-OG 3.39Å; R12-S55 PolarHBondContact NH2-O 3.3Å |
| 13 | T | 98.2 | Very high | 96.6 | Very high | 107 Ų | 107 | 48.8 Ų | 48.8 | 66% | 0.656 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 116.7 | 174.7 | -56.1 | 0 | 0 | 0 | 0 | 108.4 | V18 | T13-V18 HydrophobicContact CG2-CG2 4.3Å |
| 14 | Y | 98.4 | Very high | 96.3 | Very high | 26 Ų | 26 | 48.1 Ų | 48.1 | 10% | 0.102 | 24% | 0.237 | C | C | . | . | trans | -95.2 | 178.7 | 171.5 | -63 | -66.3 | 0 | 0 | 0 | 109.6 | R12 D16 F17 V19 D53 Q92 L95 S97 | R12-Y14 HydrophobicContact CB-CE2 3.99Å; Y14-D16 PolarHBondContact O-N 3.34Å; Y14-F17 WeakPolarHBondContact CB-O 3.09Å; Y14-F17 HydrophobicContact CD2-CD1 4.46Å; Y14-F17 AromaticContact CD2-CD2 3.94Å; Y14-F17 HydrophobicContact CD2-CD2 3.94Å; Y14-F17 AromaticContact CD2-CE1 3.94Å; Y14-F17 HydrophobicContact CD2-CE1 3.94Å; Y14-F17 AromaticContact CD2-CE2 3.38Å; Y14-F17 HydrophobicContact CD2-CE2 3.38Å; Y14-F17 HydrophobicContact CD2-CG 4.45Å; Y14-F17 AromaticContact CD2-CZ 3.35Å; Y14-F17 HydrophobicContact CD2-CZ 3.35Å; Y14-F17 AromaticContact CE2-CE2 3.92Å; Y14-F17 HydrophobicContact CE2-CE2 3.92Å; Y14-F17 HydrophobicContact CE2-CZ 4Å; Y14-F17 AromaticContact CG-CE1 3.93Å; Y14-F17 HydrophobicContact CG-CE1 3.93Å; Y14-F17 HydrophobicContact CG-CE2 4.21Å; Y14-F17 AromaticContact CG-CZ 3.75Å; Y14-F17 HydrophobicContact CG-CZ 3.75Å; Y14-F17 PolarHBondContact N-O 3.26Å; Y14-V19 HydrophobicContact CD2-CG2 3.86Å; Y14-V19 HydrophobicContact CE2-CB 4.1Å; Y14-V19 HydrophobicContact CE2-CG2 3.59Å; Y14-D53 PolarHBondContact OH-OD2 3.4Å; Y14-Q92 HydrophobicContact CD1-CB 4.2Å; Y14-Q92 HydrophobicContact CD1-CG 4.13Å; Y14-Q92 HydrophobicContact CG-CB 4.38Å; Y14-L95 HydrophobicContact CD1-CD1 3.99Å; Y14-L95 HydrophobicContact CE1-CD1 3.22Å; Y14-S97 PolarHBondContact OH-OG 3.37Å; Y14-S97 VanDerWaalsContact OH-OG 3.11Å | ||
| 15 | E | 98.3 | Very high | 96.2 | Very high | 89 Ų | 89 | 47.8 Ų | 47.8 | 42% | 0.416 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -58.6 | -37.8 | -176.5 | -174.6 | 174.1 | 157.3 | 0 | 0 | 112 | T86 R88 A89 | E15-T86 VanDerWaalsContact CD-OG1 3.23Å; E15-T86 WeakPolarHBondContact OE1-CB 3.37Å; E15-T86 WeakPolarHBondContact OE1-CG2 3.22Å; E15-T86 PolarHBondContact OE1-OG1 3.21Å; E15-T86 PolarHBondContact OE2-OG1 2.99Å; E15-R88 VanDerWaalsContact OE2-CB 3.22Å; E15-R88 WeakPolarHBondContact OE2-CB 3.39Å; E15-R88 WeakPolarHBondContact OE2-CD 3.17Å; E15-R88 WeakPolarHBondContact OE2-CG 3.43Å; E15-R88 IonicContact OE2-NE 3.98Å; E15-A89 HydrophobicContact CB-CB 4.45Å; E15-A89 HydrophobicContact CG-CB 4.43Å; E15-A89 PolarHBondContact OE2-N 3.5Å |
| 16 | D | 98.4 | Very high | 96.2 | Very high | 17 Ų | 17 | 46.7 Ų | 46.7 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -134.7 | 7.3 | -169.5 | -152.9 | 43 | 0 | 0 | 0 | 115.4 | Y14 R36 H83 A89 | Y14-D16 PolarHBondContact O-N 3.34Å; D16-R36 IonicContact OD1-CZ 2.73Å; D16-R36 IonicContact OD1-NH1 2.82Å; D16-R36 PolarHBondContact OD1-NH1 2.84Å; D16-R36 IonicContact OD1-NH2 2.88Å; D16-R36 PolarHBondContact OD1-NH2 2.84Å; D16-R36 IonicContact OD2-NH1 3.02Å; D16-H83 PolarHBondContact O-CE1 2.93Å; D16-H83 VanDerWaalsContact O-CE1 3.22Å; D16-H83 PolarHBondContact O-ND1 3.33Å; D16-H83 IonicContact OD2-CE1 3.14Å; D16-H83 IonicContact OD2-CG 3.86Å; D16-H83 IonicContact OD2-ND1 2.65Å; D16-H83 PolarHBondContact OD2-ND1 2.91Å; D16-A89 HydrophobicContact CB-CB 4Å |
| 17 | F | 98.8 | Very high | 96.2 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 164.1 | 175 | 67.3 | -75.1 | 0 | 0 | 0 | 111.6 | Y14 V19 M29 E30 A78 Q92 T93 N98 | Y14-F17 WeakPolarHBondContact CB-O 3.09Å; Y14-F17 HydrophobicContact CD2-CD1 4.46Å; Y14-F17 AromaticContact CD2-CD2 3.94Å; Y14-F17 HydrophobicContact CD2-CD2 3.94Å; Y14-F17 AromaticContact CD2-CE1 3.94Å; Y14-F17 HydrophobicContact CD2-CE1 3.94Å; Y14-F17 AromaticContact CD2-CE2 3.38Å; Y14-F17 HydrophobicContact CD2-CE2 3.38Å; Y14-F17 HydrophobicContact CD2-CG 4.45Å; Y14-F17 AromaticContact CD2-CZ 3.35Å; Y14-F17 HydrophobicContact CD2-CZ 3.35Å; Y14-F17 AromaticContact CE2-CE2 3.92Å; Y14-F17 HydrophobicContact CE2-CE2 3.92Å; Y14-F17 HydrophobicContact CE2-CZ 4Å; Y14-F17 AromaticContact CG-CE1 3.93Å; Y14-F17 HydrophobicContact CG-CE1 3.93Å; Y14-F17 HydrophobicContact CG-CE2 4.21Å; Y14-F17 AromaticContact CG-CZ 3.75Å; Y14-F17 HydrophobicContact CG-CZ 3.75Å; Y14-F17 PolarHBondContact N-O 3.26Å; F17-V19 HydrophobicContact CD2-CG2 3.58Å; F17-V19 HydrophobicContact CE2-CG2 3.35Å; F17-M29 WeakPolarHBondContact CA-O 3.39Å; F17-E30 HydrophobicContact CB-CG 4.26Å; F17-A78 HydrophobicContact CB-CB 4.3Å; F17-A78 HydrophobicContact CD2-CB 3.6Å; F17-A78 HydrophobicContact CE2-CB 3.98Å; F17-A78 HydrophobicContact CG-CB 3.92Å; F17-Q92 HydrophobicContact CE1-CB 3.96Å; F17-Q92 HydrophobicContact CZ-CB 4.39Å; F17-T93 HydrophobicContact CE1-CG2 4.08Å; F17-N98 HydrophobicContact CE2-CB 4.3Å |
| 18 | V | 98.6 | Very high | 96.4 | Very high | 15 Ų | 15 | 45.3 Ų | 45.3 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 143 | 177.7 | -179.1 | 0 | 0 | 0 | 0 | 109.4 | M1 Y5 L11 R12 T13 W27 V28 M29 | M1-V18 HydrophobicContact CG-CG2 3.91Å; M1-V18 HydrophobicContact SD-CB 3.93Å; M1-V18 HydrophobicContact SD-CG1 4.22Å; M1-V18 HydrophobicContact SD-CG2 3.9Å; Y5-V18 HydrophobicContact CE1-CG1 4.35Å; L11-V18 HydrophobicContact CD2-CG1 4.45Å; R12-V18 WeakPolarHBondContact O-CA 3.48Å; T13-V18 HydrophobicContact CG2-CG2 4.3Å; V18-W27 HydrophobicContact CB-CZ3 4.43Å; V18-W27 HydrophobicContact CG1-CH2 4.06Å; V18-W27 HydrophobicContact CG1-CZ3 4.05Å; V18-V28 CarbonylContact O-C 3.58Å; V18-V28 WeakPolarHBondContact O-CA 3.42Å; V18-M29 HydrophobicContact CB-CB 4.46Å; V18-M29 PolarHBondContact N-O 2.82Å; V18-M29 PolarHBondContact O-N 2.73Å |
| 19 | V | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 142.5 | 179.3 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | L11 R12 Y14 F17 A25 V28 | L11-V19 CarbonylContact C-O 3.58Å; L11-V19 WeakPolarHBondContact CA-O 3.28Å; R12-V19 PolarHBondContact N-O 3.37Å; R12-V19 PolarHBondContact O-N 2.95Å; Y14-V19 HydrophobicContact CD2-CG2 3.86Å; Y14-V19 HydrophobicContact CE2-CB 4.1Å; Y14-V19 HydrophobicContact CE2-CG2 3.59Å; F17-V19 HydrophobicContact CD2-CG2 3.58Å; F17-V19 HydrophobicContact CE2-CG2 3.35Å; V19-A25 HydrophobicContact CG1-CB 3.73Å; V19-V28 HydrophobicContact CB-CG1 4.39Å; V19-V28 HydrophobicContact CG1-CG1 4.24Å; V19-V28 HydrophobicContact CG2-CB 4.41Å; V19-V28 HydrophobicContact CG2-CG1 3.78Å |
| 20 | S | 98.5 | Very high | 96.6 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.5 | 163.8 | 170.5 | 0 | 0 | 0 | 0 | 108.3 | D9 A25 H26 W27 | D9-S20 PolarHBondContact O-OG 2.79Å; S20-A25 CarbonylContact O-C 3.58Å; S20-A25 WeakPolarHBondContact O-CA 3.11Å; S20-A25 WeakPolarHBondContact O-CB 3.38Å; S20-H26 PolarHBondContact O-N 3.17Å; S20-H26 PolarHBondContact OG-CD2 3.26Å; S20-W27 VanDerWaalsContact CB-CZ2 3.46Å; S20-W27 PolarHBondContact N-O 2.73Å |
| 21 | Y | 97.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 3% | 0.027 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.9 | -161.3 | -171.9 | -101.6 | 0 | 0 | 0 | 116.3 | D9 N10 R23 T24 I56 F60 | D9-Y21 PolarHBondContact O-N 3.14Å; N10-Y21 WeakPolarHBondContact CB-O 3.23Å; N10-Y21 PolarHBondContact ND2-O 2.86Å; Y21-R23 VanDerWaalsContact CE1-N 3.32Å; Y21-R23 VanDerWaalsContact CE2-C 3.47Å; Y21-R23 WeakPolarHBondContact CE2-O 3.49Å; Y21-R23 VanDerWaalsContact OH-CA 3.28Å; Y21-R23 WeakPolarHBondContact OH-CA 3.33Å; Y21-R23 PolarHBondContact OH-O 3.01Å; Y21-T24 WeakPolarHBondContact CD2-O 3.44Å; Y21-I56 HydrophobicContact CD1-CD1 3.6Å; Y21-I56 HydrophobicContact CD1-CG1 4.03Å; Y21-I56 HydrophobicContact CD1-CG2 4.23Å; Y21-I56 HydrophobicContact CD2-CD1 3.99Å; Y21-I56 HydrophobicContact CE1-CB 4.46Å; Y21-I56 HydrophobicContact CE1-CD1 3.42Å; Y21-I56 VanDerWaalsContact CE1-CD1 3.42Å; Y21-I56 HydrophobicContact CE1-CG1 4.03Å; Y21-I56 HydrophobicContact CE1-CG2 3.66Å; Y21-I56 HydrophobicContact CE2-CD1 3.85Å; Y21-I56 HydrophobicContact CG-CD1 3.85Å; Y21-F60 WeakPolarHBondContact CE1-O 3.21Å; Y21-F60 PolarHBondContact OH-O 3.21Å |
| 22 | D | 90.2 | Very high | 96.8 | Very high | 67 Ų | 67 | 31 Ų | 31 | 36% | 0.358 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -150.1 | 80.6 | 169.3 | 175.1 | 22.9 | 0 | 0 | 0 | 111.7 | T24 H26 | D22-T24 CarbonylContact C-O 3.51Å; D22-T24 WeakPolarHBondContact CA-O 3.46Å; D22-T24 PolarHBondContact N-O 3.04Å; D22-T24 PolarHBondContact O-N 2.6Å; D22-H26 WeakPolarHBondContact CB-CE1 3.35Å; D22-H26 VanDerWaalsContact CB-NE2 3.34Å; D22-H26 WeakPolarHBondContact CB-NE2 3.18Å; D22-H26 IonicContact OD2-CE1 3.54Å |
| 23 | R | 82.8 | Confident | 96.8 | Very high | 110 Ų | 110 | 28.2 Ų | 28.2 | 42% | 0.415 | 14% | 0.139 | S | C | . | . | S | Bend | trans | 59.4 | -34.4 | -173.1 | -65 | 86.4 | 170.5 | -164.2 | -1.9 | 115.4 | Y21 | Y21-R23 VanDerWaalsContact CE1-N 3.32Å; Y21-R23 VanDerWaalsContact CE2-C 3.47Å; Y21-R23 WeakPolarHBondContact CE2-O 3.49Å; Y21-R23 VanDerWaalsContact OH-CA 3.28Å; Y21-R23 WeakPolarHBondContact OH-CA 3.33Å; Y21-R23 PolarHBondContact OH-O 3.01Å |
| 24 | T | 90.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 3% | 0.025 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -118.5 | 169.9 | 155 | 173.1 | 0 | 0 | 0 | 0 | 107.5 | Y21 D22 M99 A100 P135 Y137 | Y21-T24 WeakPolarHBondContact CD2-O 3.44Å; D22-T24 CarbonylContact C-O 3.51Å; D22-T24 WeakPolarHBondContact CA-O 3.46Å; D22-T24 PolarHBondContact N-O 3.04Å; D22-T24 PolarHBondContact O-N 2.6Å; T24-M99 PolarHBondContact OG1-O 3.06Å; T24-A100 WeakPolarHBondContact OG1-CB 3.42Å; T24-P135 HydrophobicContact CG2-CG 4.41Å; T24-Y137 WeakPolarHBondContact CG2-OH 3.44Å |
| 25 | A | 94.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 142.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V19 S20 V28 L77 P135 | V19-A25 HydrophobicContact CG1-CB 3.73Å; S20-A25 CarbonylContact O-C 3.58Å; S20-A25 WeakPolarHBondContact O-CA 3.11Å; S20-A25 WeakPolarHBondContact O-CB 3.38Å; A25-V28 HydrophobicContact CB-CG1 3.94Å; A25-L77 HydrophobicContact CB-CD1 3.45Å; A25-L77 VanDerWaalsContact CB-CD1 3.45Å; A25-P135 WeakPolarHBondContact O-CD 3.46Å; A25-P135 WeakPolarHBondContact O-CG 3.19Å |
| 26 | H | 97.5 | Very high | 96.6 | Very high | 53 Ų | 53 | 27.7 Ų | 27.7 | 25% | 0.245 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | -45.6 | 159.8 | -71.8 | -58.8 | 0 | 0 | 0 | 110.4 | D9 S20 D22 P135 | D9-H26 IonicContact OD2-CD2 3.48Å; D9-H26 IonicContact OD2-CE1 3.44Å; D9-H26 IonicContact OD2-NE2 3.57Å; D9-H26 PolarHBondContact OD2-NE2 3.19Å; S20-H26 PolarHBondContact O-N 3.17Å; S20-H26 PolarHBondContact OG-CD2 3.26Å; D22-H26 WeakPolarHBondContact CB-CE1 3.35Å; D22-H26 VanDerWaalsContact CB-NE2 3.34Å; D22-H26 WeakPolarHBondContact CB-NE2 3.18Å; D22-H26 IonicContact OD2-CE1 3.54Å; H26-P135 WeakPolarHBondContact O-CD 3.34Å |
| 27 | W | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 159.9 | 176.1 | 54.3 | -96 | 0 | 0 | 0 | 110.1 | M1 Y5 P6 G7 L11 V18 S20 M29 T133 F166 F212 | M1-W27 HydrophobicContact CE-CH2 3.7Å; M1-W27 HydrophobicContact CE-CZ3 3.89Å; Y5-W27 HydrophobicContact CD1-CH2 4Å; Y5-W27 HydrophobicContact CD1-CZ2 4.44Å; P6-W27 HydrophobicContact CB-CD2 4.15Å; P6-W27 HydrophobicContact CB-CG 4.18Å; P6-W27 HydrophobicContact CB-CZ2 4.5Å; P6-W27 HydrophobicContact CG-CD2 3.81Å; P6-W27 HydrophobicContact CG-CE3 4.17Å; P6-W27 HydrophobicContact CG-CG 4.16Å; P6-W27 HydrophobicContact CG-CZ2 4.3Å; G7-W27 VanDerWaalsContact O-CZ2 3.31Å; G7-W27 WeakPolarHBondContact O-CZ2 3.28Å; L11-W27 HydrophobicContact CD2-CH2 3.56Å; L11-W27 HydrophobicContact CD2-CZ2 3.59Å; V18-W27 HydrophobicContact CB-CZ3 4.43Å; V18-W27 HydrophobicContact CG1-CH2 4.06Å; V18-W27 HydrophobicContact CG1-CZ3 4.05Å; S20-W27 VanDerWaalsContact CB-CZ2 3.46Å; S20-W27 PolarHBondContact N-O 2.73Å; W27-M29 HydrophobicContact CE3-CB 4.13Å; W27-M29 HydrophobicContact CZ3-CB 3.82Å; W27-T133 CarbonylContact C-O 3.58Å; W27-T133 VanDerWaalsContact CA-O 3.25Å; W27-T133 WeakPolarHBondContact CA-O 3.35Å; W27-F166 HydrophobicContact CB-CZ 4.34Å; W27-F212 HydrophobicContact CB-CE2 4.36Å; W27-F212 HydrophobicContact CB-CZ 3.92Å; W27-F212 AromaticContact CD1-CE1 3.72Å; W27-F212 AromaticContact CD1-CZ 3.75Å; W27-F212 HydrophobicContact CG-CE2 4.49Å; W27-F212 HydrophobicContact CG-CZ 4.18Å |
| 28 | V | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 148.9 | 166.7 | -51.6 | 0 | 0 | 0 | 0 | 109.6 | V18 V19 A25 L77 A78 C132 T133 | V18-V28 CarbonylContact O-C 3.58Å; V18-V28 WeakPolarHBondContact O-CA 3.42Å; V19-V28 HydrophobicContact CB-CG1 4.39Å; V19-V28 HydrophobicContact CG1-CG1 4.24Å; V19-V28 HydrophobicContact CG2-CB 4.41Å; V19-V28 HydrophobicContact CG2-CG1 3.78Å; A25-V28 HydrophobicContact CB-CG1 3.94Å; V28-L77 HydrophobicContact CB-CB 4.42Å; V28-L77 HydrophobicContact CG1-CB 3.76Å; V28-L77 HydrophobicContact CG1-CD1 4.17Å; V28-L77 HydrophobicContact CG2-CB 3.69Å; V28-A78 HydrophobicContact CB-CB 4.32Å; V28-A78 HydrophobicContact CG2-CB 3.97Å; V28-C132 WeakPolarHBondContact O-CA 3.31Å; V28-T133 PolarHBondContact N-O 3.4Å; V28-T133 PolarHBondContact O-N 2.88Å |
| 29 | M | 98.8 | Very high | 96.1 | Very high | 9 Ų | 9 | 35.7 Ų | 35.7 | 4% | 0.044 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 127.1 | 179.1 | -163.2 | 72.8 | 68.5 | 0 | 0 | 110.6 | M1 P6 F17 V18 W27 V131 C132 F215 | M1-M29 HydrophobicContact CE-CB 4.22Å; M1-M29 HydrophobicContact CE-CE 4.41Å; M1-M29 HydrophobicContact CE-CG 4.27Å; M1-M29 HydrophobicContact SD-CB 3.57Å; M1-M29 VanDerWaalsContact SD-CB 3.57Å; M1-M29 HydrophobicContact SD-CG 3.56Å; M1-M29 VanDerWaalsContact SD-CG 3.56Å; P6-M29 HydrophobicContact CG-CE 3.42Å; P6-M29 VanDerWaalsContact CG-CE 3.42Å; F17-M29 WeakPolarHBondContact CA-O 3.39Å; V18-M29 HydrophobicContact CB-CB 4.46Å; V18-M29 PolarHBondContact N-O 2.82Å; V18-M29 PolarHBondContact O-N 2.73Å; W27-M29 HydrophobicContact CE3-CB 4.13Å; W27-M29 HydrophobicContact CZ3-CB 3.82Å; M29-V131 CarbonylContact C-O 3.04Å; M29-V131 WeakPolarHBondContact CA-O 3.31Å; M29-C132 HydrophobicContact CE-CB 3.85Å; M29-C132 HydrophobicContact SD-CB 3.78Å; M29-F215 HydrophobicContact CE-CE1 4.22Å; M29-F215 HydrophobicContact SD-CE1 3.66Å; M29-F215 HydrophobicContact SD-CZ 4.24Å |
| 30 | E | 98.9 | Very high | 96 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 148.5 | -178.7 | -54.8 | 167.6 | 82.3 | 0 | 0 | 109.9 | F17 L32 A78 N82 H83 Y130 V131 | F17-E30 HydrophobicContact CB-CG 4.26Å; E30-L32 HydrophobicContact CB-CD2 4.16Å; E30-A78 HydrophobicContact CG-CB 4.07Å; E30-N82 WeakPolarHBondContact OE1-CB 3.41Å; E30-N82 PolarHBondContact OE1-ND2 3.08Å; E30-H83 IonicContact OE1-CE1 2.77Å; E30-H83 IonicContact OE1-NE2 3.76Å; E30-H83 PolarHBondContact OE1-NE2 3.37Å; E30-H83 VanDerWaalsContact OE1-NE2 3.09Å; E30-Y130 WeakPolarHBondContact O-CA 3.42Å; E30-V131 HydrophobicContact CB-CB 4.27Å; E30-V131 PolarHBondContact N-O 2.86Å; E30-V131 PolarHBondContact O-N 2.94Å |
| 31 | H | 98.7 | Very high | 95.9 | Very high | 53 Ų | 53 | 43.7 Ų | 43.7 | 25% | 0.245 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 112.7 | 169.3 | 172.4 | -142.6 | 0 | 0 | 0 | 109.5 | T33 R36 N128 Y130 | H31-T33 WeakPolarHBondContact NE2-CG2 3.4Å; H31-R36 WeakPolarHBondContact O-CD 3.39Å; H31-R36 PolarHBondContact O-NH1 3.11Å; H31-N128 PolarHBondContact NE2-OD1 3.34Å; H31-Y130 HydrophobicContact CB-CD1 4.1Å; H31-Y130 HydrophobicContact CB-CE1 4.17Å; H31-Y130 AromaticContact CD2-CD1 3.97Å; H31-Y130 AromaticContact CD2-CE1 3.62Å; H31-Y130 AromaticContact CD2-CZ 3.72Å; H31-Y130 AromaticContact CG-CE1 3.76Å; H31-Y130 AromaticContact NE2-CZ 3.84Å |
| 32 | L | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 142.9 | -174.9 | -44.8 | -178.5 | 0 | 0 | 0 | 109.7 | E30 M37 N82 V119 A123 V129 V131 | E30-L32 HydrophobicContact CB-CD2 4.16Å; L32-M37 HydrophobicContact CB-CE 4.15Å; L32-M37 HydrophobicContact CD1-CE 4.48Å; L32-M37 HydrophobicContact CD2-CE 3.95Å; L32-M37 HydrophobicContact CG-CE 4.41Å; L32-N82 HydrophobicContact CD1-CB 4.44Å; L32-N82 HydrophobicContact CD2-CB 3.88Å; L32-V119 HydrophobicContact CD1-CG1 4.04Å; L32-A123 HydrophobicContact CB-CB 3.61Å; L32-A123 HydrophobicContact CD1-CB 4.11Å; L32-V129 HydrophobicContact CB-CB 4.34Å; L32-V129 PolarHBondContact N-O 3.22Å; L32-V129 PolarHBondContact O-N 2.89Å; L32-V131 HydrophobicContact CD1-CG2 4.04Å; L32-V131 HydrophobicContact CG-CG2 4.43Å |
| 33 | T | 98.3 | Very high | 96.2 | Very high | 21 Ų | 21 | 44.8 Ų | 44.8 | 13% | 0.129 | 24% | 0.236 | C | C | . | . | trans | -140 | 164.3 | 176.5 | 64.7 | 0 | 0 | 0 | 0 | 109.1 | H31 D35 R36 M37 A123 N128 | H31-T33 WeakPolarHBondContact NE2-CG2 3.4Å; T33-D35 VanDerWaalsContact C-N 3.26Å; T33-D35 PolarHBondContact O-N 2.9Å; T33-R36 PolarHBondContact O-N 2.89Å; T33-R36 VanDerWaalsContact O-N 3.11Å; T33-R36 WeakPolarHBondContact OG1-CG 3.4Å; T33-R36 PolarHBondContact OG1-N 2.61Å; T33-M37 WeakPolarHBondContact O-CG 3.17Å; T33-M37 PolarHBondContact O-N 3.38Å; T33-A123 CarbonylContact C-O 3.49Å; T33-N128 WeakPolarHBondContact CG2-OD1 3.38Å | ||
| 34 | P | 97.9 | Very high | 96.9 | Very high | 54 Ų | 54 | 42.4 Ų | 42.4 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -42.8 | 176.3 | -27.7 | 36.4 | 0 | 0 | 0 | 112.1 | R36 M37 I38 A123 N126 | P34-R36 PolarHBondContact O-N 3.3Å; P34-M37 PolarHBondContact O-N 2.85Å; P34-M37 VanDerWaalsContact O-N 3.15Å; P34-I38 PolarHBondContact O-N 3.44Å; P34-A123 WeakPolarHBondContact CD-O 3.24Å; P34-A123 WeakPolarHBondContact CG-O 3.39Å; P34-N126 WeakPolarHBondContact CD-O 3.12Å; P34-N126 WeakPolarHBondContact CG-O 3.46Å |
| 35 | D | 96.8 | Very high | 97.1 | Very high | 87 Ų | 87 | 48.7 Ų | 48.7 | 47% | 0.465 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -61.9 | -42.4 | 176.7 | 173.2 | 65.7 | 0 | 0 | 0 | 112.5 | T33 M37 I38 K85 | T33-D35 VanDerWaalsContact C-N 3.26Å; T33-D35 PolarHBondContact O-N 2.9Å; D35-M37 PolarHBondContact O-N 3.03Å; D35-I38 WeakPolarHBondContact O-CB 3.38Å; D35-I38 PolarHBondContact O-N 2.88Å; D35-I38 VanDerWaalsContact O-N 3.12Å; D35-K85 WeakPolarHBondContact O-CE 3.27Å; D35-K85 PolarHBondContact O-NZ 2.81Å; D35-K85 IonicContact OD1-NZ 2.73Å; D35-K85 PolarHBondContact OD1-NZ 3.01Å; D35-K85 WeakPolarHBondContact OD2-CE 3.45Å; D35-K85 IonicContact OD2-NZ 3.1Å; D35-K85 PolarHBondContact OD2-NZ 2.86Å |
| 36 | R | 96.4 | Very high | 97.2 | Very high | 71 Ų | 71 | 53.4 Ų | 53.4 | 27% | 0.268 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -67.3 | -22.2 | 177.1 | -71.9 | 174.2 | 166.8 | -127.7 | -21.1 | 113.1 | D16 H31 T33 P34 I38 | D16-R36 IonicContact OD1-CZ 2.73Å; D16-R36 IonicContact OD1-NH1 2.82Å; D16-R36 PolarHBondContact OD1-NH1 2.84Å; D16-R36 IonicContact OD1-NH2 2.88Å; D16-R36 PolarHBondContact OD1-NH2 2.84Å; D16-R36 IonicContact OD2-NH1 3.02Å; H31-R36 WeakPolarHBondContact O-CD 3.39Å; H31-R36 PolarHBondContact O-NH1 3.11Å; T33-R36 PolarHBondContact O-N 2.89Å; T33-R36 VanDerWaalsContact O-N 3.11Å; T33-R36 WeakPolarHBondContact OG1-CG 3.4Å; T33-R36 PolarHBondContact OG1-N 2.61Å; P34-R36 PolarHBondContact O-N 3.3Å; R36-I38 VanDerWaalsContact C-N 3.32Å |
| 37 | M | 96.9 | Very high | 97.2 | Very high | 8 Ų | 8 | 57.3 Ų | 57.3 | 4% | 0.039 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -83.8 | -5.2 | 175.1 | -64.5 | -61.3 | 95 | 0 | 0 | 113.6 | L32 T33 P34 D35 Y39 N82 R120 A123 R124 | L32-M37 HydrophobicContact CB-CE 4.15Å; L32-M37 HydrophobicContact CD1-CE 4.48Å; L32-M37 HydrophobicContact CD2-CE 3.95Å; L32-M37 HydrophobicContact CG-CE 4.41Å; T33-M37 WeakPolarHBondContact O-CG 3.17Å; T33-M37 PolarHBondContact O-N 3.38Å; P34-M37 PolarHBondContact O-N 2.85Å; P34-M37 VanDerWaalsContact O-N 3.15Å; D35-M37 PolarHBondContact O-N 3.03Å; M37-Y39 WeakPolarHBondContact O-CD1 3.26Å; M37-Y39 WeakPolarHBondContact O-CE1 3.26Å; M37-Y39 PolarHBondContact O-N 2.85Å; M37-N82 WeakPolarHBondContact CE-O 3.24Å; M37-R120 HydrophobicContact SD-CB 4.27Å; M37-R120 HydrophobicContact SD-CG 3.93Å; M37-A123 HydrophobicContact CG-CB 3.76Å; M37-A123 HydrophobicContact SD-CB 4.07Å; M37-R124 HydrophobicContact CB-CG 3.71Å; M37-R124 HydrophobicContact CG-CG 4Å |
| 38 | I | 96.2 | Very high | 97.2 | Very high | 108 Ų | 108 | 58 Ų | 58 | 55% | 0.554 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -80.7 | 114.4 | 169.6 | -58.2 | 172 | 0 | 0 | 0 | 107.9 | P34 D35 R36 | P34-I38 PolarHBondContact O-N 3.44Å; D35-I38 WeakPolarHBondContact O-CB 3.38Å; D35-I38 PolarHBondContact O-N 2.88Å; D35-I38 VanDerWaalsContact O-N 3.12Å; R36-I38 VanDerWaalsContact C-N 3.32Å |
| 39 | Y | 93.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 65 Ų | 65 | 35% | 0.349 | 34% | 0.341 | S | S | . | . | trans | -75.1 | 131.2 | -176.4 | -59.8 | -14.4 | 0 | 0 | 0 | 110.8 | M37 R84 | M37-Y39 WeakPolarHBondContact O-CD1 3.26Å; M37-Y39 WeakPolarHBondContact O-CE1 3.26Å; M37-Y39 PolarHBondContact O-N 2.85Å; Y39-R84 HydrophobicContact CD1-CB 3.75Å; Y39-R84 HydrophobicContact CD1-CG 4.19Å; Y39-R84 HydrophobicContact CE1-CB 4.29Å; Y39-R84 HydrophobicContact CE1-CG 4.28Å; Y39-R84 HydrophobicContact CG-CB 4.21Å | ||
| 40 | S | 95.5 | Very high | 97.2 | Very high | 32 Ų | 32 | 67.2 Ų | 67.2 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | trans | -76 | 129.6 | 171.9 | 175.6 | 0 | 0 | 0 | 0 | 109.8 | S42 V43 R84 K85 | S40-S42 PolarHBondContact O-N 2.84Å; S40-S42 PolarHBondContact OG-OG 2.86Å; S40-V43 WeakPolarHBondContact O-CB 3.49Å; S40-V43 PolarHBondContact O-N 2.8Å; S40-R84 PolarHBondContact N-O 2.79Å; S40-R84 VanDerWaalsContact N-O 3.07Å; S40-K85 WeakPolarHBondContact CB-O 3.37Å | ||
| 41 | P | 95.7 | Very high | 97.2 | Very high | 139 Ų | 139 | 73 Ų | 73 | 90% | 0.903 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.4 | 179.8 | 27.1 | -34.6 | 0 | 0 | 0 | 112.9 | V43 | P41-V43 PolarHBondContact O-N 2.49Š|
| 42 | S | 95.8 | Very high | 97.1 | Very high | 85 Ų | 85 | 72.8 Ų | 72.8 | 59% | 0.594 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -11.7 | 173.8 | 65.3 | 0 | 0 | 0 | 0 | 114 | S40 | S40-S42 PolarHBondContact O-N 2.84Å; S40-S42 PolarHBondContact OG-OG 2.86Å |
| 43 | V | 97.9 | Very high | 97.1 | Very high | 12 Ų | 12 | 73.3 Ų | 73.3 | 7% | 0.073 | 37% | 0.374 | C | S | . | . | trans | -94.9 | 116.7 | -175.1 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | S40 P41 R84 T86 V90 | S40-V43 WeakPolarHBondContact O-CB 3.49Å; S40-V43 PolarHBondContact O-N 2.8Å; P41-V43 PolarHBondContact O-N 2.49Å; V43-R84 HydrophobicContact CG1-CB 4.34Å; V43-T86 VanDerWaalsContact CG2-C 3.42Å; V43-V90 HydrophobicContact CG1-CB 4.19Å; V43-V90 HydrophobicContact CG1-CG1 3.47Å; V43-V90 VanDerWaalsContact CG1-CG1 3.47Å | ||
| 44 | D | 97.6 | Very high | 97.1 | Very high | 61 Ų | 61 | 78.7 Ų | 78.7 | 33% | 0.326 | 40% | 0.398 | S | S | . | . | trans | -119.6 | 109.9 | 179.9 | -175.3 | -1 | 0 | 0 | 0 | 110.9 | S46 K47 Q87 | D44-S46 PolarHBondContact O-N 3.02Å; D44-S46 WeakPolarHBondContact OD1-CB 3.25Å; D44-S46 PolarHBondContact OD1-N 3.03Å; D44-S46 PolarHBondContact OD1-OG 2.98Å; D44-S46 PolarHBondContact OD2-OG 2.75Å; D44-K47 HydrophobicContact CB-CD 4.03Å; D44-K47 HydrophobicContact CB-CG 4.12Å; D44-K47 PolarHBondContact O-N 3.26Å; D44-K47 WeakPolarHBondContact OD2-CE 3.41Å; D44-Q87 PolarHBondContact O-NE2 3.06Å; D44-Q87 VanDerWaalsContact O-NE2 3.08Å; D44-Q87 PolarHBondContact O-OE1 3.41Å | ||
| 45 | R | 96.9 | Very high | 97 | Very high | 136 Ų | 136 | 78.8 Ų | 78.8 | 51% | 0.513 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -66.7 | -25.4 | 179.2 | -178 | 178.2 | 168.4 | -133.8 | -2.4 | 112.1 | K47 C48 F94 | R45-K47 PolarHBondContact O-N 2.81Å; R45-C48 VanDerWaalsContact O-CB 3.29Å; R45-C48 WeakPolarHBondContact O-CB 3.19Å; R45-C48 PolarHBondContact O-N 2.77Å; R45-C48 VanDerWaalsContact O-N 3.08Å; R45-F94 HydrophobicContact CG-CE2 4.19Å; R45-F94 HydrophobicContact CG-CZ 3.92Å |
| 46 | S | 96.9 | Very high | 97.1 | Very high | 99 Ų | 99 | 75.1 Ų | 75.1 | 69% | 0.692 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -67.3 | -20.2 | -179.4 | 73.2 | 0 | 0 | 0 | 0 | 112.9 | D44 C48 | D44-S46 PolarHBondContact O-N 3.02Å; D44-S46 WeakPolarHBondContact OD1-CB 3.25Å; D44-S46 PolarHBondContact OD1-N 3.03Å; D44-S46 PolarHBondContact OD1-OG 2.98Å; D44-S46 PolarHBondContact OD2-OG 2.75Å; S46-C48 VanDerWaalsContact C-N 3.29Å |
| 47 | K | 97.7 | Very high | 97.1 | Very high | 135 Ų | 135 | 77 Ų | 77 | 59% | 0.587 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -81.1 | -6.9 | 174 | -58.4 | -179.2 | -176.2 | 176.1 | 0 | 113.6 | D44 R45 | D44-K47 HydrophobicContact CB-CD 4.03Å; D44-K47 HydrophobicContact CB-CG 4.12Å; D44-K47 PolarHBondContact O-N 3.26Å; D44-K47 WeakPolarHBondContact OD2-CE 3.41Å; R45-K47 PolarHBondContact O-N 2.81Å |
| 48 | C | 98.3 | Very high | 97.1 | Very high | 15 Ų | 15 | 78.7 Ų | 78.7 | 10% | 0.101 | 41% | 0.407 | C | S | . | . | trans | -81.9 | 134 | -178.9 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | R45 S46 F94 | R45-C48 VanDerWaalsContact O-CB 3.29Å; R45-C48 WeakPolarHBondContact O-CB 3.19Å; R45-C48 PolarHBondContact O-N 2.77Å; R45-C48 VanDerWaalsContact O-N 3.08Å; S46-C48 VanDerWaalsContact C-N 3.29Å; C48-F94 HydrophobicContact CB-CD1 3.97Å; C48-F94 HydrophobicContact CB-CD2 3.42Å; C48-F94 VanDerWaalsContact CB-CD2 3.42Å; C48-F94 HydrophobicContact CB-CE1 3.9Å; C48-F94 HydrophobicContact CB-CE2 3.35Å; C48-F94 HydrophobicContact CB-CG 3.72Å; C48-F94 HydrophobicContact CB-CZ 3.59Å | ||
| 49 | E | 98.3 | Very high | 97.2 | Very high | 149 Ų | 149 | 81.1 Ų | 81.1 | 70% | 0.696 | 41% | 0.414 | S | S | * | . | trans | -117.8 | 134.4 | 177.9 | -64.5 | -177.3 | 172.5 | 0 | 0 | 110.6 | R51 F94 | E49-R51 PolarHBondContact O-N 2.65Å; E49-R51 VanDerWaalsContact O-N 3.14Å; E49-F94 WeakPolarHBondContact O-CB 3.41Å | ||
| 50 | F | 98.7 | Very high | 97.4 | Very high | 54 Ų | 54 | 81.2 Ų | 81.2 | 24% | 0.237 | 42% | 0.416 | C | S | . | . | trans | -63 | 116.3 | 167.7 | -70.6 | -78.4 | 0 | 0 | 0 | 109 | N64 R74 H76 F94 L96 M99 | F50-N64 WeakPolarHBondContact CB-OD1 3.37Å; F50-N64 PolarHBondContact O-ND2 3.11Å; F50-R74 HydrophobicContact CD1-CB 3.87Å; F50-R74 HydrophobicContact CD1-CG 4.41Å; F50-R74 VanDerWaalsContact CD2-CZ 3.48Å; F50-R74 HydrophobicContact CE1-CB 3.55Å; F50-R74 HydrophobicContact CZ-CB 4.03Å; F50-H76 AromaticContact CE1-CE1 3.47Å; F50-H76 VanDerWaalsContact CE1-CE1 3.47Å; F50-H76 WeakPolarHBondContact CE1-CE1 3.38Å; F50-H76 AromaticContact CZ-CE1 3.71Å; F50-F94 WeakPolarHBondContact CA-O 3.37Å; F50-F94 AromaticContact CD1-CD1 3.95Å; F50-F94 HydrophobicContact CD1-CD1 3.95Å; F50-F94 HydrophobicContact CD2-CD1 4.09Å; F50-F94 HydrophobicContact CD2-CE1 4.44Å; F50-F94 AromaticContact CE1-CD1 3.91Å; F50-F94 HydrophobicContact CE1-CD1 3.91Å; F50-F94 HydrophobicContact CE1-CE1 4.38Å; F50-F94 HydrophobicContact CE2-CD1 4.05Å; F50-F94 HydrophobicContact CE2-CE1 4.04Å; F50-F94 HydrophobicContact CG-CD1 4.05Å; F50-F94 AromaticContact CZ-CD1 3.97Å; F50-F94 HydrophobicContact CZ-CD1 3.97Å; F50-F94 HydrophobicContact CZ-CE1 4.02Å; F50-L96 HydrophobicContact CB-CD2 4.38Å; F50-L96 HydrophobicContact CD1-CD2 4.43Å; F50-M99 HydrophobicContact CD1-CE 4.39Å; F50-M99 HydrophobicContact CD1-CG 4.46Å; F50-M99 HydrophobicContact CD1-SD 4.12Å; F50-M99 HydrophobicContact CE1-CE 4.11Å; F50-M99 HydrophobicContact CE1-SD 3.67Å | ||
| 51 | R | 98.2 | Very high | 97.5 | Very high | 124 Ų | 124 | 81 Ų | 81 | 47% | 0.468 | 41% | 0.411 | S | S | . | . | B | Isolated β-bridge | trans | -141.2 | 154 | -177 | 67.6 | -177.9 | 176.6 | 167.8 | -6.2 | 111.8 | E49 F94 L95 L96 | E49-R51 PolarHBondContact O-N 2.65Å; E49-R51 VanDerWaalsContact O-N 3.14Å; R51-F94 PolarHBondContact N-O 2.77Å; R51-L95 HydrophobicContact CG-CD2 3.92Å; R51-L95 CarbonylContact O-C 3.6Å; R51-L95 WeakPolarHBondContact O-CA 3.42Å; R51-L96 WeakPolarHBondContact O-CG 3.12Å; R51-L96 PolarHBondContact O-N 3.48Å |
| 52 | E | 98.1 | Very high | 97.6 | Very high | 50 Ų | 50 | 74.5 Ų | 74.5 | 23% | 0.234 | 37% | 0.368 | C | S | . | . | trans | -64.8 | 144.2 | 177.5 | -48.9 | 179.8 | -174.9 | 0 | 0 | 111.1 | Q54 R61 R63 L96 | E52-Q54 PolarHBondContact O-N 3.31Å; E52-R61 HydrophobicContact CB-CG 4.3Å; E52-R61 VanDerWaalsContact OE2-CD 3.31Å; E52-R61 WeakPolarHBondContact OE2-CD 3.25Å; E52-R61 IonicContact OE2-NH1 3.09Å; E52-R61 PolarHBondContact OE2-NH1 3.43Å; E52-R61 VanDerWaalsContact OE2-NH1 3.08Å; E52-R63 HydrophobicContact CG-CG 4.32Å; E52-R63 VanDerWaalsContact OE1-CD 3.28Å; E52-R63 WeakPolarHBondContact OE1-CD 3.22Å; E52-R63 VanDerWaalsContact OE1-CG 3.26Å; E52-R63 WeakPolarHBondContact OE1-CG 3.32Å; E52-R63 IonicContact OE1-NE 2.68Å; E52-L96 HydrophobicContact CG-CD1 4.24Å | ||
| 53 | D | 98.2 | Very high | 97.7 | Very high | 11 Ų | 11 | 75.2 Ų | 75.2 | 6% | 0.059 | 36% | 0.358 | C | S | . | . | trans | -84.4 | 107.7 | 169.6 | 174.3 | 11.1 | 0 | 0 | 0 | 109.8 | Y14 S55 I56 R61 L95 | Y14-D53 PolarHBondContact OH-OD2 3.4Å; D53-S55 PolarHBondContact O-N 3.47Å; D53-S55 WeakPolarHBondContact OD1-CB 3.42Å; D53-S55 PolarHBondContact OD1-N 3.38Å; D53-S55 PolarHBondContact OD1-OG 3.07Å; D53-S55 PolarHBondContact OD2-OG 3.24Å; D53-I56 HydrophobicContact CB-CD1 4.01Å; D53-I56 PolarHBondContact O-N 3.48Å; D53-I56 WeakPolarHBondContact OD2-CD1 3.22Å; D53-R61 WeakPolarHBondContact O-CD 3.38Å; D53-R61 PolarHBondContact O-NE 3.11Å; D53-L95 HydrophobicContact CB-CB 4.33Å; D53-L95 HydrophobicContact CB-CD1 4.49Å; D53-L95 HydrophobicContact CB-CD2 4.18Å | ||
| 54 | Q | 97.7 | Very high | 97.8 | Very high | 133 Ų | 133 | 77.1 Ų | 77.1 | 62% | 0.621 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -15.1 | -178.3 | -61.5 | -61.2 | -32 | 0 | 0 | 113 | E52 I56 R61 | E52-Q54 PolarHBondContact O-N 3.31Å; Q54-I56 PolarHBondContact O-N 3.47Å; Q54-R61 VanDerWaalsContact CD-NH1 3.33Å; Q54-R61 PolarHBondContact O-NH2 2.95Å; Q54-R61 VanDerWaalsContact OE1-CZ 3.29Å |
| 55 | S | 96.9 | Very high | 97.8 | Very high | 56 Ų | 56 | 77.6 Ų | 77.6 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -11.7 | 175.4 | 83.5 | 0 | 0 | 0 | 0 | 113.3 | R12 D53 | R12-S55 WeakPolarHBondContact CD-OG 3.26Å; R12-S55 PolarHBondContact NE-OG 3.39Å; R12-S55 PolarHBondContact NH2-O 3.3Å; D53-S55 PolarHBondContact O-N 3.47Å; D53-S55 WeakPolarHBondContact OD1-CB 3.42Å; D53-S55 PolarHBondContact OD1-N 3.38Å; D53-S55 PolarHBondContact OD1-OG 3.07Å; D53-S55 PolarHBondContact OD2-OG 3.24Å |
| 56 | I | 97.3 | Very high | 97.9 | Very high | 10 Ų | 10 | 71.4 Ų | 71.4 | 5% | 0.051 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -94.3 | 132.7 | 174.5 | -66.2 | 161.5 | 0 | 0 | 0 | 108.9 | Y21 D53 Q54 F60 R61 | Y21-I56 HydrophobicContact CD1-CD1 3.6Å; Y21-I56 HydrophobicContact CD1-CG1 4.03Å; Y21-I56 HydrophobicContact CD1-CG2 4.23Å; Y21-I56 HydrophobicContact CD2-CD1 3.99Å; Y21-I56 HydrophobicContact CE1-CB 4.46Å; Y21-I56 HydrophobicContact CE1-CD1 3.42Å; Y21-I56 VanDerWaalsContact CE1-CD1 3.42Å; Y21-I56 HydrophobicContact CE1-CG1 4.03Å; Y21-I56 HydrophobicContact CE1-CG2 3.66Å; Y21-I56 HydrophobicContact CE2-CD1 3.85Å; Y21-I56 HydrophobicContact CG-CD1 3.85Å; D53-I56 HydrophobicContact CB-CD1 4.01Å; D53-I56 PolarHBondContact O-N 3.48Å; D53-I56 WeakPolarHBondContact OD2-CD1 3.22Å; Q54-I56 PolarHBondContact O-N 3.47Å; I56-F60 HydrophobicContact CG2-CB 4Å; I56-R61 HydrophobicContact CB-CG 4.42Å; I56-R61 HydrophobicContact CG2-CB 4.12Å; I56-R61 HydrophobicContact CG2-CG 4.43Å; I56-R61 PolarHBondContact O-NE 3.12Å; I56-R61 PolarHBondContact O-NH2 3.3Å |
| 57 | H | 97.8 | Very high | 98 | Very high | 111 Ų | 111 | 67.1 Ų | 67.1 | 51% | 0.514 | 33% | 0.326 | S | S | . | . | trans | -55.7 | 140.2 | 175.6 | -173.5 | -92.7 | 0 | 0 | 0 | 110.9 | F59 F60 R61 | H57-F59 AromaticContact CE1-CD1 3.7Å; H57-F59 AromaticContact CE1-CD2 3.59Å; H57-F59 AromaticContact CE1-CE1 3.99Å; H57-F59 AromaticContact CE1-CE2 3.9Å; H57-F59 AromaticContact CE1-CG 3.48Å; H57-F59 VanDerWaalsContact CE1-CG 3.48Å; H57-F59 WeakPolarHBondContact CE1-CG 3.43Å; H57-F59 AromaticContact ND1-CD2 3.8Å; H57-F59 AromaticContact ND1-CG 3.49Å; H57-F59 WeakPolarHBondContact ND1-CG 3.4Å; H57-F59 PolarHBondContact ND1-N 3.39Å; H57-F59 PolarHBondContact O-N 2.76Å; H57-F60 HydrophobicContact CB-CD2 4.03Å; H57-F60 HydrophobicContact CB-CE2 4.32Å; H57-F60 PolarHBondContact O-N 2.88Å; H57-R61 PolarHBondContact O-N 3.48Å | ||
| 58 | A | 97.2 | Very high | 98 | Very high | 43 Ų | 43 | 67 Ų | 67 | 36% | 0.355 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -55.7 | -28.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F60 | A58-F60 VanDerWaalsContact C-N 3.28Å; A58-F60 PolarHBondContact O-N 3.39Å |
| 59 | F | 97.1 | Very high | 98 | Very high | 160 Ų | 160 | 74 Ų | 74 | 70% | 0.702 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -65.8 | -26.6 | 177.3 | -67.7 | -4.5 | 0 | 0 | 0 | 114.4 | H57 | H57-F59 AromaticContact CE1-CD1 3.7Å; H57-F59 AromaticContact CE1-CD2 3.59Å; H57-F59 AromaticContact CE1-CE1 3.99Å; H57-F59 AromaticContact CE1-CE2 3.9Å; H57-F59 AromaticContact CE1-CG 3.48Å; H57-F59 VanDerWaalsContact CE1-CG 3.48Å; H57-F59 WeakPolarHBondContact CE1-CG 3.43Å; H57-F59 AromaticContact ND1-CD2 3.8Å; H57-F59 AromaticContact ND1-CG 3.49Å; H57-F59 WeakPolarHBondContact ND1-CG 3.4Å; H57-F59 PolarHBondContact ND1-N 3.39Å; H57-F59 PolarHBondContact O-N 2.76Å |
| 60 | F | 97.7 | Very high | 98 | Very high | 91 Ų | 91 | 68.2 Ų | 68.2 | 40% | 0.399 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -110.8 | 3.7 | -173.3 | -47.1 | -52.5 | 0 | 0 | 0 | 112.1 | Y21 I56 H57 A58 | Y21-F60 WeakPolarHBondContact CE1-O 3.21Å; Y21-F60 PolarHBondContact OH-O 3.21Å; I56-F60 HydrophobicContact CG2-CB 4Å; H57-F60 HydrophobicContact CB-CD2 4.03Å; H57-F60 HydrophobicContact CB-CE2 4.32Å; H57-F60 PolarHBondContact O-N 2.88Å; A58-F60 VanDerWaalsContact C-N 3.28Å; A58-F60 PolarHBondContact O-N 3.39Å |
| 61 | R | 97.6 | Very high | 98 | Very high | 28 Ų | 28 | 68.8 Ų | 68.8 | 11% | 0.106 | 36% | 0.363 | C | S | . | . | trans | -91.6 | 121.9 | -169.1 | -160.5 | -172.3 | -54.4 | 172.3 | -16.7 | 111 | E52 D53 Q54 I56 H57 | E52-R61 HydrophobicContact CB-CG 4.3Å; E52-R61 VanDerWaalsContact OE2-CD 3.31Å; E52-R61 WeakPolarHBondContact OE2-CD 3.25Å; E52-R61 IonicContact OE2-NH1 3.09Å; E52-R61 PolarHBondContact OE2-NH1 3.43Å; E52-R61 VanDerWaalsContact OE2-NH1 3.08Å; D53-R61 WeakPolarHBondContact O-CD 3.38Å; D53-R61 PolarHBondContact O-NE 3.11Å; Q54-R61 VanDerWaalsContact CD-NH1 3.33Å; Q54-R61 PolarHBondContact O-NH2 2.95Å; Q54-R61 VanDerWaalsContact OE1-CZ 3.29Å; I56-R61 HydrophobicContact CB-CG 4.42Å; I56-R61 HydrophobicContact CG2-CB 4.12Å; I56-R61 HydrophobicContact CG2-CG 4.43Å; I56-R61 PolarHBondContact O-NE 3.12Å; I56-R61 PolarHBondContact O-NH2 3.3Å; H57-R61 PolarHBondContact O-N 3.48Å | ||
| 62 | S | 98.2 | Very high | 98 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.014 | 35% | 0.349 | C | S | . | . | trans | -70.2 | 147.1 | 167.3 | 58.3 | 0 | 0 | 0 | 0 | 111.1 | L96 | S62-L96 WeakPolarHBondContact O-CD1 3.36Å; S62-L96 WeakPolarHBondContact OG-CB 3.43Å; S62-L96 PolarHBondContact OG-O 2.91Å | ||
| 63 | R | 98.2 | Very high | 98 | Very high | 100 Ų | 100 | 63.9 Ų | 63.9 | 38% | 0.377 | 35% | 0.345 | S | S | . | . | trans | -127.4 | 157.9 | -178.3 | -55 | -169.3 | -176.9 | -167.2 | -1.5 | 111.1 | E52 A65 D66 Y67 L96 | E52-R63 HydrophobicContact CG-CG 4.32Å; E52-R63 VanDerWaalsContact OE1-CD 3.28Å; E52-R63 WeakPolarHBondContact OE1-CD 3.22Å; E52-R63 VanDerWaalsContact OE1-CG 3.26Å; E52-R63 WeakPolarHBondContact OE1-CG 3.32Å; E52-R63 IonicContact OE1-NE 2.68Å; R63-A65 PolarHBondContact O-N 3.22Å; R63-A65 VanDerWaalsContact O-N 3.17Å; R63-D66 PolarHBondContact N-OD2 2.96Å; R63-D66 WeakPolarHBondContact O-CB 3.2Å; R63-D66 PolarHBondContact O-N 3.43Å; R63-Y67 WeakPolarHBondContact O-CD2 3.35Å; R63-L96 VanDerWaalsContact CA-CD1 3.46Å | ||
| 64 | N | 98.5 | Very high | 98 | Very high | 51 Ų | 51 | 67.5 Ų | 67.5 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.5 | -33.2 | 175.5 | -77.8 | -44.4 | 0 | 0 | 0 | 112.3 | F50 D66 Y67 M68 R74 L96 | F50-N64 WeakPolarHBondContact CB-OD1 3.37Å; F50-N64 PolarHBondContact O-ND2 3.11Å; N64-D66 PolarHBondContact O-N 3.09Å; N64-Y67 PolarHBondContact O-N 3.06Å; N64-M68 PolarHBondContact O-N 2.82Å; N64-R74 PolarHBondContact OD1-NH1 3.07Å; N64-L96 VanDerWaalsContact N-CD1 3.34Å |
| 65 | A | 98.3 | Very high | 98.1 | Very high | 72 Ų | 72 | 61.2 Ų | 61.2 | 60% | 0.595 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.7 | -25.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R63 | R63-A65 PolarHBondContact O-N 3.22Å; R63-A65 VanDerWaalsContact O-N 3.17Å |
| 66 | D | 98.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.027 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.6 | -31.2 | 177.1 | -57.9 | -53.9 | 0 | 0 | 0 | 112.1 | R63 N64 I154 G155 K156 N157 V159 | R63-D66 PolarHBondContact N-OD2 2.96Å; R63-D66 WeakPolarHBondContact O-CB 3.2Å; R63-D66 PolarHBondContact O-N 3.43Å; N64-D66 PolarHBondContact O-N 3.09Å; D66-I154 WeakPolarHBondContact O-CD1 3.26Å; D66-G155 WeakPolarHBondContact OD1-CA 3.34Å; D66-K156 PolarHBondContact OD1-N 2.83Å; D66-N157 VanDerWaalsContact CG-ND2 3.34Å; D66-N157 PolarHBondContact OD1-N 3.15Å; D66-N157 VanDerWaalsContact OD1-N 3.13Å; D66-N157 PolarHBondContact OD1-ND2 3.15Å; D66-N157 VanDerWaalsContact OD1-ND2 3.15Å; D66-N157 PolarHBondContact OD2-ND2 3.04Å; D66-V159 HydrophobicContact CB-CG2 3.97Å |
| 67 | Y | 98.6 | Very high | 98.2 | Very high | 10 Ų | 10 | 58.9 Ų | 58.9 | 4% | 0.039 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -88.2 | -23.2 | 178.9 | -67.6 | -94.6 | 0 | 0 | 0 | 112.8 | R63 N64 N69 S70 R74 L96 M99 P101 I154 | R63-Y67 WeakPolarHBondContact O-CD2 3.35Å; N64-Y67 PolarHBondContact O-N 3.06Å; Y67-N69 PolarHBondContact O-N 3.49Å; Y67-S70 WeakPolarHBondContact O-CB 3.34Å; Y67-S70 PolarHBondContact O-N 2.99Å; Y67-S70 PolarHBondContact O-OG 2.84Å; Y67-R74 HydrophobicContact CD1-CB 4.39Å; Y67-R74 HydrophobicContact CD1-CG 3.52Å; Y67-R74 HydrophobicContact CD2-CG 3.83Å; Y67-R74 HydrophobicContact CE1-CG 3.99Å; Y67-R74 HydrophobicContact CE2-CG 4.28Å; Y67-R74 HydrophobicContact CG-CG 3.42Å; Y67-R74 VanDerWaalsContact CG-CG 3.42Å; Y67-L96 HydrophobicContact CE2-CD2 4.34Å; Y67-M99 PolarHBondContact OH-O 3.39Å; Y67-P101 HydrophobicContact CE1-CB 4.25Å; Y67-P101 HydrophobicContact CE1-CG 3.83Å; Y67-I154 HydrophobicContact CD1-CD1 3.99Å; Y67-I154 HydrophobicContact CE1-CD1 4.31Å; Y67-I154 HydrophobicContact CG-CD1 4.33Å |
| 68 | M | 98.3 | Very high | 98.3 | Very high | 131 Ų | 131 | 53.6 Ų | 53.6 | 65% | 0.645 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 125.7 | -178.2 | -172.1 | 179.2 | -65.6 | 0 | 0 | 110.7 | N64 S70 | N64-M68 PolarHBondContact O-N 2.82Å; M68-S70 PolarHBondContact O-N 2.89Å |
| 69 | N | 98 | Very high | 98.4 | Very high | 163 Ų | 163 | 51.6 Ų | 51.6 | 87% | 0.872 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 18.1 | -177.7 | -58.2 | -31.4 | 0 | 0 | 0 | 115.2 | Y67 G71 | Y67-N69 PolarHBondContact O-N 3.49Å; N69-G71 VanDerWaalsContact C-N 3.26Å; N69-G71 PolarHBondContact O-N 2.93Å |
| 70 | S | 98.4 | Very high | 98.4 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 19% | 0.189 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -74.9 | -13.6 | 177.9 | 66.2 | 0 | 0 | 0 | 0 | 113.9 | Y67 M68 Y72 | Y67-S70 WeakPolarHBondContact O-CB 3.34Å; Y67-S70 PolarHBondContact O-N 2.99Å; Y67-S70 PolarHBondContact O-OG 2.84Å; M68-S70 PolarHBondContact O-N 2.89Å; S70-Y72 WeakPolarHBondContact O-CD2 3.18Å; S70-Y72 WeakPolarHBondContact O-CE2 3.25Å; S70-Y72 PolarHBondContact O-N 2.79Å; S70-Y72 PolarHBondContact OG-N 3.32Å; S70-Y72 VanDerWaalsContact OG-N 3.14Å; S70-Y72 PolarHBondContact OG-O 3.01Å |
| 71 | G | 98.4 | Very high | 98.4 | Very high | 67 Ų | 67 | 40.8 Ų | 40.8 | 69% | 0.691 | 23% | 0.229 | S | C | * | . | S | Bend | trans | 82.4 | -5.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N69 | N69-G71 VanDerWaalsContact C-N 3.26Å; N69-G71 PolarHBondContact O-N 2.93Å |
| 72 | Y | 98.8 | Very high | 98.5 | Very high | 43 Ų | 43 | 39.5 Ų | 39.5 | 17% | 0.169 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 147.5 | -179.7 | -59.2 | -81 | 0 | 0 | 0 | 112.7 | S70 P101 I103 E152 I154 V161 | S70-Y72 WeakPolarHBondContact O-CD2 3.18Å; S70-Y72 WeakPolarHBondContact O-CE2 3.25Å; S70-Y72 PolarHBondContact O-N 2.79Å; S70-Y72 PolarHBondContact OG-N 3.32Å; S70-Y72 VanDerWaalsContact OG-N 3.14Å; S70-Y72 PolarHBondContact OG-O 3.01Å; Y72-P101 HydrophobicContact CD1-CB 4.2Å; Y72-P101 HydrophobicContact CD2-CB 4.35Å; Y72-P101 HydrophobicContact CG-CB 3.85Å; Y72-I103 HydrophobicContact CD1-CD1 4.01Å; Y72-I103 HydrophobicContact CD1-CG1 4.45Å; Y72-I103 HydrophobicContact CE1-CD1 3.63Å; Y72-I103 HydrophobicContact CE1-CG1 4.19Å; Y72-E152 PolarHBondContact OH-OE2 3.13Å; Y72-I154 HydrophobicContact CD2-CD1 4.41Å; Y72-I154 HydrophobicContact CD2-CG2 3.97Å; Y72-I154 HydrophobicContact CE2-CG2 4Å; Y72-V161 HydrophobicContact CD1-CG1 4.07Å; Y72-V161 HydrophobicContact CD2-CG2 4.18Å; Y72-V161 HydrophobicContact CE1-CG1 3.46Å; Y72-V161 VanDerWaalsContact CE1-CG1 3.46Å; Y72-V161 HydrophobicContact CE1-CG2 4.46Å; Y72-V161 HydrophobicContact CE2-CG1 4.27Å; Y72-V161 HydrophobicContact CE2-CG2 3.8Å |
| 73 | D | 98.8 | Very high | 98.5 | Very high | 28 Ų | 28 | 39.4 Ų | 39.4 | 15% | 0.15 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 154.7 | 165.9 | -77.3 | -10.4 | 0 | 0 | 0 | 111 | G75 Q102 G104 N108 R109 | D73-G75 VanDerWaalsContact C-N 3.26Å; D73-G75 PolarHBondContact O-N 3.49Å; D73-Q102 PolarHBondContact N-O 3.48Å; D73-Q102 PolarHBondContact O-N 3.36Å; D73-Q102 VanDerWaalsContact O-N 3.11Å; D73-G104 VanDerWaalsContact OD2-CA 3.25Å; D73-G104 WeakPolarHBondContact OD2-CA 3.49Å; D73-N108 HydrophobicContact CB-CB 4.45Å; D73-N108 VanDerWaalsContact CB-ND2 3.29Å; D73-N108 WeakPolarHBondContact CB-ND2 3.43Å; D73-N108 PolarHBondContact OD2-ND2 3.4Å; D73-R109 IonicContact OD1-CZ 2.91Å; D73-R109 IonicContact OD1-NE 2.73Å; D73-R109 PolarHBondContact OD1-NE 2.9Å; D73-R109 IonicContact OD1-NH2 3.08Å; D73-R109 PolarHBondContact OD1-NH2 3.4Å; D73-R109 WeakPolarHBondContact OD2-CG 3.27Å; D73-R109 IonicContact OD2-CZ 3.98Å; D73-R109 IonicContact OD2-NE 3.65Å; D73-R109 PolarHBondContact OD2-NE 3.31Å; D73-R109 IonicContact OD2-NH2 3.7Å |
| 74 | R | 98.7 | Very high | 98.4 | Very high | 87 Ų | 87 | 37.5 Ų | 37.5 | 33% | 0.328 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 82.7 | 160.7 | -70.3 | 163 | -69.7 | -171.3 | -0.5 | 108.5 | F50 N64 Y67 L96 M99 | F50-R74 HydrophobicContact CD1-CB 3.87Å; F50-R74 HydrophobicContact CD1-CG 4.41Å; F50-R74 VanDerWaalsContact CD2-CZ 3.48Å; F50-R74 HydrophobicContact CE1-CB 3.55Å; F50-R74 HydrophobicContact CZ-CB 4.03Å; N64-R74 PolarHBondContact OD1-NH1 3.07Å; Y67-R74 HydrophobicContact CD1-CB 4.39Å; Y67-R74 HydrophobicContact CD1-CG 3.52Å; Y67-R74 HydrophobicContact CD2-CG 3.83Å; Y67-R74 HydrophobicContact CE1-CG 3.99Å; Y67-R74 HydrophobicContact CE2-CG 4.28Å; Y67-R74 HydrophobicContact CG-CG 3.42Å; Y67-R74 VanDerWaalsContact CG-CG 3.42Å; R74-L96 HydrophobicContact CG-CD2 4.21Å; R74-M99 HydrophobicContact CB-CB 4.49Å; R74-M99 HydrophobicContact CB-CG 4.14Å; R74-M99 HydrophobicContact CB-SD 3.99Å; R74-M99 VanDerWaalsContact O-SD 3.41Å |
| 75 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 122 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D73 M99 A100 | D73-G75 VanDerWaalsContact C-N 3.26Å; D73-G75 PolarHBondContact O-N 3.49Å; G75-M99 VanDerWaalsContact O-CA 3.32Å; G75-M99 WeakPolarHBondContact O-CA 3.41Å; G75-A100 WeakPolarHBondContact CA-O 3.48Å; G75-A100 PolarHBondContact N-O 2.9Å; G75-A100 PolarHBondContact O-N 3.3Å |
| 76 | H | 98.8 | Very high | 98.2 | Very high | 17 Ų | 17 | 37.5 Ų | 37.5 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 139.3 | 178 | -71.5 | 58.4 | 0 | 0 | 0 | 110.4 | F50 T93 F94 M99 | F50-H76 AromaticContact CE1-CE1 3.47Å; F50-H76 VanDerWaalsContact CE1-CE1 3.47Å; F50-H76 WeakPolarHBondContact CE1-CE1 3.38Å; F50-H76 AromaticContact CZ-CE1 3.71Å; H76-T93 PolarHBondContact CD2-O 3.43Å; H76-T93 PolarHBondContact CD2-OG1 2.93Å; H76-T93 PolarHBondContact NE2-O 3.04Å; H76-T93 PolarHBondContact NE2-OG1 3.08Å; H76-F94 AromaticContact NE2-CD2 3.69Å; H76-F94 AromaticContact NE2-CE2 3.78Å; H76-F94 AromaticContact NE2-CG 3.84Å; H76-M99 HydrophobicContact CB-CE 4.33Å |
| 77 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -88.3 | -53.4 | 166.6 | -59.3 | 176.5 | 0 | 0 | 0 | 110.5 | A25 V28 N98 A100 T133 F165 | A25-L77 HydrophobicContact CB-CD1 3.45Å; A25-L77 VanDerWaalsContact CB-CD1 3.45Å; V28-L77 HydrophobicContact CB-CB 4.42Å; V28-L77 HydrophobicContact CG1-CB 3.76Å; V28-L77 HydrophobicContact CG1-CD1 4.17Å; V28-L77 HydrophobicContact CG2-CB 3.69Å; L77-N98 PolarHBondContact N-O 3.21Å; L77-A100 HydrophobicContact CD2-CB 4.3Å; L77-T133 HydrophobicContact CB-CG2 4.29Å; L77-T133 HydrophobicContact CD2-CG2 4.28Å; L77-F165 HydrophobicContact CD2-CD1 3.81Å; L77-F165 HydrophobicContact CD2-CE1 3.77Å |
| 78 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -88.3 | 108.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | F17 V28 E30 N98 | F17-A78 HydrophobicContact CB-CB 4.3Å; F17-A78 HydrophobicContact CD2-CB 3.6Å; F17-A78 HydrophobicContact CE2-CB 3.98Å; F17-A78 HydrophobicContact CG-CB 3.92Å; V28-A78 HydrophobicContact CB-CB 4.32Å; V28-A78 HydrophobicContact CG2-CB 3.97Å; E30-A78 HydrophobicContact CG-CB 4.07Å; A78-N98 WeakPolarHBondContact CB-OD1 3.4Å; A78-N98 PolarHBondContact N-OD1 3.27Å; A78-N98 PolarHBondContact O-ND2 3.27Å |
| 79 | A | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.017 | 21% | 0.208 | C | C | . | . | trans | -75.8 | 135.2 | -166.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G81 N82 H83 E116 | A79-G81 PolarHBondContact O-N 3.31Å; A79-N82 WeakPolarHBondContact O-CB 3.4Å; A79-N82 PolarHBondContact O-N 3.01Å; A79-H83 PolarHBondContact O-CD2 3.31Å; A79-E116 HydrophobicContact CB-CG 4.3Å; A79-E116 WeakPolarHBondContact CB-OE1 3.44Å | ||
| 80 | A | 98.4 | Very high | 98.2 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 5% | 0.05 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -51.7 | -32.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N82 H83 R84 V90 T93 F94 | A80-N82 PolarHBondContact O-N 2.93Å; A80-H83 PolarHBondContact O-N 2.88Å; A80-R84 WeakPolarHBondContact O-CG 3.35Å; A80-V90 HydrophobicContact CB-CG2 3.94Å; A80-T93 WeakPolarHBondContact CA-OG1 3.39Å; A80-T93 WeakPolarHBondContact CB-OG1 3.42Å; A80-F94 HydrophobicContact CB-CE2 3.74Å; A80-F94 HydrophobicContact CB-CZ 4.36Å |
| 81 | G | 97.9 | Very high | 98.3 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 19% | 0.186 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -64.2 | -16.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A79 | A79-G81 PolarHBondContact O-N 3.31Š|
| 82 | N | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -93.4 | -17.5 | -175.9 | -60.4 | -4.2 | 0 | 0 | 0 | 112.7 | E30 L32 M37 A79 A80 R120 | E30-N82 WeakPolarHBondContact OE1-CB 3.41Å; E30-N82 PolarHBondContact OE1-ND2 3.08Å; L32-N82 HydrophobicContact CD1-CB 4.44Å; L32-N82 HydrophobicContact CD2-CB 3.88Å; M37-N82 WeakPolarHBondContact CE-O 3.24Å; A79-N82 WeakPolarHBondContact O-CB 3.4Å; A79-N82 PolarHBondContact O-N 3.01Å; A80-N82 PolarHBondContact O-N 2.93Å; N82-R120 VanDerWaalsContact OD1-CD 3.27Å; N82-R120 WeakPolarHBondContact OD1-CD 3.05Å; N82-R120 WeakPolarHBondContact OD1-CG 3.37Å; N82-R120 PolarHBondContact OD1-NH1 3.23Å |
| 83 | H | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -122 | 56 | -167.1 | -58.4 | -65.6 | 0 | 0 | 0 | 112.4 | D16 E30 A79 A80 A89 V90 T93 | D16-H83 PolarHBondContact O-CE1 2.93Å; D16-H83 VanDerWaalsContact O-CE1 3.22Å; D16-H83 PolarHBondContact O-ND1 3.33Å; D16-H83 IonicContact OD2-CE1 3.14Å; D16-H83 IonicContact OD2-CG 3.86Å; D16-H83 IonicContact OD2-ND1 2.65Å; D16-H83 PolarHBondContact OD2-ND1 2.91Å; E30-H83 IonicContact OE1-CE1 2.77Å; E30-H83 IonicContact OE1-NE2 3.76Å; E30-H83 PolarHBondContact OE1-NE2 3.37Å; E30-H83 VanDerWaalsContact OE1-NE2 3.09Å; A79-H83 PolarHBondContact O-CD2 3.31Å; A80-H83 PolarHBondContact O-N 2.88Å; H83-A89 HydrophobicContact CB-CB 4.3Å; H83-V90 WeakPolarHBondContact O-CA 3.2Å; H83-V90 WeakPolarHBondContact O-CB 3.32Å; H83-V90 PolarHBondContact O-N 2.87Å; H83-T93 HydrophobicContact CB-CG2 3.97Å; H83-T93 VanDerWaalsContact CD2-CG2 3.46Å; H83-T93 WeakPolarHBondContact CD2-CG2 3.45Å | ||
| 84 | R | 95.3 | Very high | 98.3 | Very high | 60 Ų | 60 | 28.6 Ų | 28.6 | 23% | 0.226 | 13% | 0.129 | C | C | . | . | trans | -109.4 | 27.1 | -170.3 | -53.1 | -175.3 | 86.4 | -176.9 | 5.3 | 114.5 | Y39 S40 V43 A80 | Y39-R84 HydrophobicContact CD1-CB 3.75Å; Y39-R84 HydrophobicContact CD1-CG 4.19Å; Y39-R84 HydrophobicContact CE1-CB 4.29Å; Y39-R84 HydrophobicContact CE1-CG 4.28Å; Y39-R84 HydrophobicContact CG-CB 4.21Å; S40-R84 PolarHBondContact N-O 2.79Å; S40-R84 VanDerWaalsContact N-O 3.07Å; V43-R84 HydrophobicContact CG1-CB 4.34Å; A80-R84 WeakPolarHBondContact O-CG 3.35Å | ||
| 85 | K | 96.6 | Very high | 98.3 | Very high | 75 Ų | 75 | 25.1 Ų | 25.1 | 33% | 0.326 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -80 | -40.4 | 173.6 | -89.5 | -75 | -174 | 176.9 | 0 | 112.3 | D35 S40 | D35-K85 WeakPolarHBondContact O-CE 3.27Å; D35-K85 PolarHBondContact O-NZ 2.81Å; D35-K85 IonicContact OD1-NZ 2.73Å; D35-K85 PolarHBondContact OD1-NZ 3.01Å; D35-K85 WeakPolarHBondContact OD2-CE 3.45Å; D35-K85 IonicContact OD2-NZ 3.1Å; D35-K85 PolarHBondContact OD2-NZ 2.86Å; S40-K85 WeakPolarHBondContact CB-O 3.37Å |
| 86 | T | 97.7 | Very high | 98.3 | Very high | 47 Ų | 47 | 25.1 Ų | 25.1 | 29% | 0.288 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -132.6 | 156.1 | 177.9 | 70.5 | 0 | 0 | 0 | 0 | 110.2 | E15 V43 R88 A89 V90 | E15-T86 VanDerWaalsContact CD-OG1 3.23Å; E15-T86 WeakPolarHBondContact OE1-CB 3.37Å; E15-T86 WeakPolarHBondContact OE1-CG2 3.22Å; E15-T86 PolarHBondContact OE1-OG1 3.21Å; E15-T86 PolarHBondContact OE2-OG1 2.99Å; V43-T86 VanDerWaalsContact CG2-C 3.42Å; T86-R88 VanDerWaalsContact C-N 3.28Å; T86-R88 PolarHBondContact O-N 2.95Å; T86-A89 PolarHBondContact O-N 3Å; T86-A89 VanDerWaalsContact OG1-CB 3.25Å; T86-A89 WeakPolarHBondContact OG1-CB 3.27Å; T86-A89 PolarHBondContact OG1-N 3.25Å; T86-V90 PolarHBondContact O-N 2.83Å |
| 87 | Q | 98.2 | Very high | 98.3 | Very high | 39 Ų | 39 | 24.4 Ų | 24.4 | 18% | 0.182 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 177.5 | -178.4 | 62.3 | 32.2 | 0 | 0 | 110.7 | D44 A89 V90 E91 | D44-Q87 PolarHBondContact O-NE2 3.06Å; D44-Q87 VanDerWaalsContact O-NE2 3.08Å; D44-Q87 PolarHBondContact O-OE1 3.41Å; Q87-A89 PolarHBondContact O-N 2.79Å; Q87-V90 WeakPolarHBondContact O-CG1 3.23Å; Q87-V90 PolarHBondContact O-N 2.78Å; Q87-E91 HydrophobicContact CG-CG 4.37Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.42Å; Q87-E91 PolarHBondContact NE2-OE1 3.1Å; Q87-E91 WeakPolarHBondContact O-CB 3.28Å; Q87-E91 VanDerWaalsContact O-CG 3.28Å; Q87-E91 WeakPolarHBondContact O-CG 3.44Å; Q87-E91 PolarHBondContact O-N 2.9Å |
| 88 | R | 98.3 | Very high | 98.3 | Very high | 158 Ų | 158 | 24.4 Ų | 24.4 | 60% | 0.596 | 11% | 0.114 | S | C | * | . | H | α-helix | trans | -63 | -41.8 | 178 | 178.1 | 178.2 | 175.6 | 148.9 | -0.6 | 112.4 | E15 T86 V90 E91 Q92 | E15-R88 VanDerWaalsContact OE2-CB 3.22Å; E15-R88 WeakPolarHBondContact OE2-CB 3.39Å; E15-R88 WeakPolarHBondContact OE2-CD 3.17Å; E15-R88 WeakPolarHBondContact OE2-CG 3.43Å; E15-R88 IonicContact OE2-NE 3.98Å; T86-R88 VanDerWaalsContact C-N 3.28Å; T86-R88 PolarHBondContact O-N 2.95Å; R88-V90 PolarHBondContact O-N 3.46Å; R88-E91 PolarHBondContact O-N 3.47Å; R88-Q92 HydrophobicContact CG-CG 4.44Å; R88-Q92 WeakPolarHBondContact O-CG 3.48Å; R88-Q92 PolarHBondContact O-N 2.91Å |
| 89 | A | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.017 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E15 D16 H83 T86 Q87 T93 | E15-A89 HydrophobicContact CB-CB 4.45Å; E15-A89 HydrophobicContact CG-CB 4.43Å; E15-A89 PolarHBondContact OE2-N 3.5Å; D16-A89 HydrophobicContact CB-CB 4Å; H83-A89 HydrophobicContact CB-CB 4.3Å; T86-A89 PolarHBondContact O-N 3Å; T86-A89 VanDerWaalsContact OG1-CB 3.25Å; T86-A89 WeakPolarHBondContact OG1-CB 3.27Å; T86-A89 PolarHBondContact OG1-N 3.25Å; Q87-A89 PolarHBondContact O-N 2.79Å; A89-T93 WeakPolarHBondContact O-CG2 3.13Å |
| 90 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.6 | -38.6 | 176.8 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | V43 A80 H83 T86 Q87 R88 Q92 T93 F94 | V43-V90 HydrophobicContact CG1-CB 4.19Å; V43-V90 HydrophobicContact CG1-CG1 3.47Å; V43-V90 VanDerWaalsContact CG1-CG1 3.47Å; A80-V90 HydrophobicContact CB-CG2 3.94Å; H83-V90 WeakPolarHBondContact O-CA 3.2Å; H83-V90 WeakPolarHBondContact O-CB 3.32Å; H83-V90 PolarHBondContact O-N 2.87Å; T86-V90 PolarHBondContact O-N 2.83Å; Q87-V90 WeakPolarHBondContact O-CG1 3.23Å; Q87-V90 PolarHBondContact O-N 2.78Å; R88-V90 PolarHBondContact O-N 3.46Å; V90-Q92 VanDerWaalsContact C-N 3.31Å; V90-Q92 PolarHBondContact O-N 3.33Å; V90-T93 PolarHBondContact O-N 3.05Å; V90-T93 VanDerWaalsContact O-N 3.12Å; V90-T93 PolarHBondContact O-OG1 2.95Å; V90-F94 HydrophobicContact CG2-CE2 4.34Å; V90-F94 WeakPolarHBondContact O-CD2 3.21Å |
| 91 | E | 98.7 | Very high | 98.3 | Very high | 57 Ų | 57 | 24 Ų | 24 | 27% | 0.266 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -63.7 | -36.4 | 177.9 | -77.5 | 171.6 | -178.4 | 0 | 0 | 112.6 | Q87 R88 T93 F94 | Q87-E91 HydrophobicContact CG-CG 4.37Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.42Å; Q87-E91 PolarHBondContact NE2-OE1 3.1Å; Q87-E91 WeakPolarHBondContact O-CB 3.28Å; Q87-E91 VanDerWaalsContact O-CG 3.28Å; Q87-E91 WeakPolarHBondContact O-CG 3.44Å; Q87-E91 PolarHBondContact O-N 2.9Å; R88-E91 PolarHBondContact O-N 3.47Å; E91-T93 PolarHBondContact O-N 2.93Å; E91-F94 PolarHBondContact O-N 3.39Å |
| 92 | Q | 98.8 | Very high | 98.3 | Very high | 22 Ų | 22 | 23.1 Ų | 23.1 | 10% | 0.103 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.3 | -25.5 | 176.4 | -76 | 177.7 | -30.1 | 0 | 0 | 112.3 | Y14 F17 R88 V90 F94 L95 | Y14-Q92 HydrophobicContact CD1-CB 4.2Å; Y14-Q92 HydrophobicContact CD1-CG 4.13Å; Y14-Q92 HydrophobicContact CG-CB 4.38Å; F17-Q92 HydrophobicContact CE1-CB 3.96Å; F17-Q92 HydrophobicContact CZ-CB 4.39Å; R88-Q92 HydrophobicContact CG-CG 4.44Å; R88-Q92 WeakPolarHBondContact O-CG 3.48Å; R88-Q92 PolarHBondContact O-N 2.91Å; V90-Q92 VanDerWaalsContact C-N 3.31Å; V90-Q92 PolarHBondContact O-N 3.33Å; Q92-F94 PolarHBondContact O-N 3.33Å; Q92-L95 WeakPolarHBondContact O-CB 3.39Å; Q92-L95 WeakPolarHBondContact O-CG 3.39Å; Q92-L95 PolarHBondContact O-N 2.87Å |
| 93 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -19.6 | 174.5 | 81.3 | 0 | 0 | 0 | 0 | 112.5 | F17 H76 A80 H83 A89 V90 E91 L95 N98 M99 | F17-T93 HydrophobicContact CE1-CG2 4.08Å; H76-T93 PolarHBondContact CD2-O 3.43Å; H76-T93 PolarHBondContact CD2-OG1 2.93Å; H76-T93 PolarHBondContact NE2-O 3.04Å; H76-T93 PolarHBondContact NE2-OG1 3.08Å; A80-T93 WeakPolarHBondContact CA-OG1 3.39Å; A80-T93 WeakPolarHBondContact CB-OG1 3.42Å; H83-T93 HydrophobicContact CB-CG2 3.97Å; H83-T93 VanDerWaalsContact CD2-CG2 3.46Å; H83-T93 WeakPolarHBondContact CD2-CG2 3.45Å; A89-T93 WeakPolarHBondContact O-CG2 3.13Å; V90-T93 PolarHBondContact O-N 3.05Å; V90-T93 VanDerWaalsContact O-N 3.12Å; V90-T93 PolarHBondContact O-OG1 2.95Å; E91-T93 PolarHBondContact O-N 2.93Å; T93-L95 VanDerWaalsContact C-N 3.33Å; T93-N98 PolarHBondContact O-ND2 3.17Å; T93-M99 WeakPolarHBondContact O-CE 3.12Å |
| 94 | F | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 25.2 Ų | 25.2 | 4% | 0.039 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 2.9 | 179.3 | -75.9 | -107.7 | 0 | 0 | 0 | 113.5 | R45 C48 E49 F50 R51 H76 A80 V90 E91 Q92 L96 | R45-F94 HydrophobicContact CG-CE2 4.19Å; R45-F94 HydrophobicContact CG-CZ 3.92Å; C48-F94 HydrophobicContact CB-CD1 3.97Å; C48-F94 HydrophobicContact CB-CD2 3.42Å; C48-F94 VanDerWaalsContact CB-CD2 3.42Å; C48-F94 HydrophobicContact CB-CE1 3.9Å; C48-F94 HydrophobicContact CB-CE2 3.35Å; C48-F94 HydrophobicContact CB-CG 3.72Å; C48-F94 HydrophobicContact CB-CZ 3.59Å; E49-F94 WeakPolarHBondContact O-CB 3.41Å; F50-F94 WeakPolarHBondContact CA-O 3.37Å; F50-F94 AromaticContact CD1-CD1 3.95Å; F50-F94 HydrophobicContact CD1-CD1 3.95Å; F50-F94 HydrophobicContact CD2-CD1 4.09Å; F50-F94 HydrophobicContact CD2-CE1 4.44Å; F50-F94 AromaticContact CE1-CD1 3.91Å; F50-F94 HydrophobicContact CE1-CD1 3.91Å; F50-F94 HydrophobicContact CE1-CE1 4.38Å; F50-F94 HydrophobicContact CE2-CD1 4.05Å; F50-F94 HydrophobicContact CE2-CE1 4.04Å; F50-F94 HydrophobicContact CG-CD1 4.05Å; F50-F94 AromaticContact CZ-CD1 3.97Å; F50-F94 HydrophobicContact CZ-CD1 3.97Å; F50-F94 HydrophobicContact CZ-CE1 4.02Å; R51-F94 PolarHBondContact N-O 2.77Å; H76-F94 AromaticContact NE2-CD2 3.69Å; H76-F94 AromaticContact NE2-CE2 3.78Å; H76-F94 AromaticContact NE2-CG 3.84Å; A80-F94 HydrophobicContact CB-CE2 3.74Å; A80-F94 HydrophobicContact CB-CZ 4.36Å; V90-F94 HydrophobicContact CG2-CE2 4.34Å; V90-F94 WeakPolarHBondContact O-CD2 3.21Å; E91-F94 PolarHBondContact O-N 3.39Å; Q92-F94 PolarHBondContact O-N 3.33Å; F94-L96 PolarHBondContact O-N 3.07Å |
| 95 | L | 98.7 | Very high | 98.5 | Very high | 14 Ų | 14 | 30.5 Ų | 30.5 | 7% | 0.073 | 14% | 0.139 | C | C | . | . | B | Isolated β-bridge | trans | -62.4 | 133.3 | 168 | -69.5 | 174.9 | 0 | 0 | 0 | 110.2 | Y14 R51 D53 Q92 T93 S97 N98 | Y14-L95 HydrophobicContact CD1-CD1 3.99Å; Y14-L95 HydrophobicContact CE1-CD1 3.22Å; R51-L95 HydrophobicContact CG-CD2 3.92Å; R51-L95 CarbonylContact O-C 3.6Å; R51-L95 WeakPolarHBondContact O-CA 3.42Å; D53-L95 HydrophobicContact CB-CB 4.33Å; D53-L95 HydrophobicContact CB-CD1 4.49Å; D53-L95 HydrophobicContact CB-CD2 4.18Å; Q92-L95 WeakPolarHBondContact O-CB 3.39Å; Q92-L95 WeakPolarHBondContact O-CG 3.39Å; Q92-L95 PolarHBondContact O-N 2.87Å; T93-L95 VanDerWaalsContact C-N 3.33Å; L95-S97 PolarHBondContact O-N 3.27Å; L95-S97 VanDerWaalsContact O-N 3.08Å; L95-N98 WeakPolarHBondContact O-CB 3.45Å; L95-N98 PolarHBondContact O-N 2.93Å |
| 96 | L | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -63.5 | -16 | -179.5 | -66.7 | 178.8 | 0 | 0 | 0 | 113.4 | F50 R51 E52 S62 R63 N64 Y67 R74 F94 N98 M99 | F50-L96 HydrophobicContact CB-CD2 4.38Å; F50-L96 HydrophobicContact CD1-CD2 4.43Å; R51-L96 WeakPolarHBondContact O-CG 3.12Å; R51-L96 PolarHBondContact O-N 3.48Å; E52-L96 HydrophobicContact CG-CD1 4.24Å; S62-L96 WeakPolarHBondContact O-CD1 3.36Å; S62-L96 WeakPolarHBondContact OG-CB 3.43Å; S62-L96 PolarHBondContact OG-O 2.91Å; R63-L96 VanDerWaalsContact CA-CD1 3.46Å; N64-L96 VanDerWaalsContact N-CD1 3.34Å; Y67-L96 HydrophobicContact CE2-CD2 4.34Å; R74-L96 HydrophobicContact CG-CD2 4.21Å; F94-L96 PolarHBondContact O-N 3.07Å; L96-N98 PolarHBondContact O-N 3.42Å; L96-M99 HydrophobicContact CD2-CB 4.38Å; L96-M99 HydrophobicContact CD2-CG 3.83Å; L96-M99 WeakPolarHBondContact O-CB 3.49Å; L96-M99 PolarHBondContact O-N 3.08Å; L96-M99 VanDerWaalsContact O-N 3.1Å |
| 97 | S | 98.3 | Very high | 98.6 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.014 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -63.8 | -21.6 | 169.2 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | Y14 L95 | Y14-S97 PolarHBondContact OH-OG 3.37Å; Y14-S97 VanDerWaalsContact OH-OG 3.11Å; L95-S97 PolarHBondContact O-N 3.27Å; L95-S97 VanDerWaalsContact O-N 3.08Å |
| 98 | N | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -97.6 | 7.3 | 176 | -177.3 | 46.9 | 0 | 0 | 0 | 112.2 | F17 L77 A78 T93 L95 L96 | F17-N98 HydrophobicContact CE2-CB 4.3Å; L77-N98 PolarHBondContact N-O 3.21Å; A78-N98 WeakPolarHBondContact CB-OD1 3.4Å; A78-N98 PolarHBondContact N-OD1 3.27Å; A78-N98 PolarHBondContact O-ND2 3.27Å; T93-N98 PolarHBondContact O-ND2 3.17Å; L95-N98 WeakPolarHBondContact O-CB 3.45Å; L95-N98 PolarHBondContact O-N 2.93Å; L96-N98 PolarHBondContact O-N 3.42Å |
| 99 | M | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 143.5 | -177.1 | -58.6 | -60.4 | 132 | 0 | 0 | 111.8 | T24 F50 Y67 R74 G75 H76 T93 L96 | T24-M99 PolarHBondContact OG1-O 3.06Å; F50-M99 HydrophobicContact CD1-CE 4.39Å; F50-M99 HydrophobicContact CD1-CG 4.46Å; F50-M99 HydrophobicContact CD1-SD 4.12Å; F50-M99 HydrophobicContact CE1-CE 4.11Å; F50-M99 HydrophobicContact CE1-SD 3.67Å; Y67-M99 PolarHBondContact OH-O 3.39Å; R74-M99 HydrophobicContact CB-CB 4.49Å; R74-M99 HydrophobicContact CB-CG 4.14Å; R74-M99 HydrophobicContact CB-SD 3.99Å; R74-M99 VanDerWaalsContact O-SD 3.41Å; G75-M99 VanDerWaalsContact O-CA 3.32Å; G75-M99 WeakPolarHBondContact O-CA 3.41Å; H76-M99 HydrophobicContact CB-CE 4.33Å; T93-M99 WeakPolarHBondContact O-CE 3.12Å; L96-M99 HydrophobicContact CD2-CB 4.38Å; L96-M99 HydrophobicContact CD2-CG 3.83Å; L96-M99 WeakPolarHBondContact O-CB 3.49Å; L96-M99 PolarHBondContact O-N 3.08Å; L96-M99 VanDerWaalsContact O-N 3.1Å |
| 100 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 147.9 | 164 | 0 | 0 | 0 | 0 | 0 | 109.4 | T24 G75 L77 Q102 P162 F165 | T24-A100 WeakPolarHBondContact OG1-CB 3.42Å; G75-A100 WeakPolarHBondContact CA-O 3.48Å; G75-A100 PolarHBondContact N-O 2.9Å; G75-A100 PolarHBondContact O-N 3.3Å; L77-A100 HydrophobicContact CD2-CB 4.3Å; A100-Q102 PolarHBondContact O-N 3.49Å; A100-Q102 VanDerWaalsContact O-N 3.13Å; A100-P162 HydrophobicContact CB-CG 4.17Å; A100-F165 HydrophobicContact CB-CE1 3.47Å; A100-F165 VanDerWaalsContact CB-CE1 3.47Å; A100-F165 HydrophobicContact CB-CZ 3.64Å |
| 101 | P | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 115.8 | 172.9 | -21.9 | 33.1 | 0 | 0 | 0 | 110.7 | Y67 Y72 I154 V159 A160 V161 N187 | Y67-P101 HydrophobicContact CE1-CB 4.25Å; Y67-P101 HydrophobicContact CE1-CG 3.83Å; Y72-P101 HydrophobicContact CD1-CB 4.2Å; Y72-P101 HydrophobicContact CD2-CB 4.35Å; Y72-P101 HydrophobicContact CG-CB 3.85Å; P101-I154 HydrophobicContact CB-CD1 3.95Å; P101-I154 HydrophobicContact CG-CD1 3.66Å; P101-I154 HydrophobicContact CG-CG1 4.15Å; P101-V159 HydrophobicContact CG-CG1 3.87Å; P101-A160 VanDerWaalsContact CD-O 3.3Å; P101-A160 WeakPolarHBondContact CD-O 3.41Å; P101-V161 HydrophobicContact CB-CB 4.26Å; P101-V161 HydrophobicContact CB-CG1 4.22Å; P101-V161 HydrophobicContact CB-CG2 3.82Å; P101-V161 HydrophobicContact CG-CG2 4.09Å; P101-N187 PolarHBondContact O-ND2 3.22Å |
| 102 | Q | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 141.3 | 179.4 | -71.9 | -173.6 | -11.6 | 0 | 0 | 110.7 | D73 A100 G104 F107 N108 F165 N187 | D73-Q102 PolarHBondContact N-O 3.48Å; D73-Q102 PolarHBondContact O-N 3.36Å; D73-Q102 VanDerWaalsContact O-N 3.11Å; A100-Q102 PolarHBondContact O-N 3.49Å; A100-Q102 VanDerWaalsContact O-N 3.13Å; Q102-G104 PolarHBondContact O-N 3.12Å; Q102-F107 HydrophobicContact CB-CD1 4.1Å; Q102-F107 HydrophobicContact CB-CE1 4.19Å; Q102-F107 HydrophobicContact CG-CD1 4.41Å; Q102-F107 HydrophobicContact CG-CE1 3.99Å; Q102-N108 HydrophobicContact CB-CB 3.89Å; Q102-N108 PolarHBondContact OE1-OD1 2.95Å; Q102-N108 VanDerWaalsContact OE1-OD1 3.05Å; Q102-F165 HydrophobicContact CG-CD2 4.39Å; Q102-F165 HydrophobicContact CG-CE1 4.24Å; Q102-F165 HydrophobicContact CG-CE2 3.56Å; Q102-F165 HydrophobicContact CG-CZ 3.46Å; Q102-F165 VanDerWaalsContact CG-CZ 3.46Å; Q102-N187 WeakPolarHBondContact CA-OD1 3.45Å |
| 103 | I | 98.8 | Very high | 98.6 | Very high | 37 Ų | 37 | 24.4 Ų | 24.4 | 19% | 0.19 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 128.6 | 168.6 | -69.4 | -67 | 0 | 0 | 0 | 108.9 | Y72 K105 F107 N108 N187 P189 | Y72-I103 HydrophobicContact CD1-CD1 4.01Å; Y72-I103 HydrophobicContact CD1-CG1 4.45Å; Y72-I103 HydrophobicContact CE1-CD1 3.63Å; Y72-I103 HydrophobicContact CE1-CG1 4.19Å; I103-K105 WeakPolarHBondContact CG2-O 3.48Å; I103-F107 HydrophobicContact CB-CB 4.02Å; I103-F107 HydrophobicContact CG2-CB 4.11Å; I103-F107 WeakPolarHBondContact O-CB 3.4Å; I103-N108 VanDerWaalsContact O-CB 3.27Å; I103-N108 WeakPolarHBondContact O-CB 3.33Å; I103-N108 PolarHBondContact O-N 3.46Å; I103-N187 WeakPolarHBondContact CG1-O 3.37Å; I103-N187 PolarHBondContact N-OD1 2.82Å; I103-P189 HydrophobicContact CG2-CG 4.07Å |
| 104 | G | 98.6 | Very high | 98.6 | Very high | 8 Ų | 8 | 28 Ų | 28 | 8% | 0.082 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -71.3 | -81.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D73 Q102 F107 N108 R109 | D73-G104 VanDerWaalsContact OD2-CA 3.25Å; D73-G104 WeakPolarHBondContact OD2-CA 3.49Å; Q102-G104 PolarHBondContact O-N 3.12Å; G104-F107 PolarHBondContact O-N 3.21Å; G104-N108 PolarHBondContact O-N 3.4Å; G104-R109 PolarHBondContact O-N 3.19Å |
| 105 | K | 98.5 | Very high | 98.6 | Very high | 171 Ų | 171 | 27.5 Ų | 27.5 | 74% | 0.743 | 13% | 0.129 | S | C | * | . | I | π-helix | trans | -69.7 | 132 | -180 | -174.5 | 178.8 | 178.4 | -177.8 | 0 | 110.5 | I103 F107 | I103-K105 WeakPolarHBondContact CG2-O 3.48Å; K105-F107 VanDerWaalsContact C-N 3.28Å; K105-F107 PolarHBondContact O-N 3.32Å |
| 106 | G | 98.4 | Very high | 98.7 | Very high | 10 Ų | 10 | 27.7 Ų | 27.7 | 10% | 0.103 | 13% | 0.129 | C | C | . | . | I | π-helix | trans | 84.7 | -9.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D110 V190 | G106-D110 WeakPolarHBondContact CA-OD2 3.17Å; G106-D110 PolarHBondContact N-OD2 3.36Å; G106-V190 PolarHBondContact O-N 3.49Å |
| 107 | F | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -133.7 | -90.8 | 179.8 | -173.9 | -108.6 | 0 | 0 | 0 | 112.4 | Q102 I103 G104 K105 R109 D110 K111 W112 F165 L185 P186 R188 V190 | Q102-F107 HydrophobicContact CB-CD1 4.1Å; Q102-F107 HydrophobicContact CB-CE1 4.19Å; Q102-F107 HydrophobicContact CG-CD1 4.41Å; Q102-F107 HydrophobicContact CG-CE1 3.99Å; I103-F107 HydrophobicContact CB-CB 4.02Å; I103-F107 HydrophobicContact CG2-CB 4.11Å; I103-F107 WeakPolarHBondContact O-CB 3.4Å; G104-F107 PolarHBondContact O-N 3.21Å; K105-F107 VanDerWaalsContact C-N 3.28Å; K105-F107 PolarHBondContact O-N 3.32Å; F107-R109 VanDerWaalsContact C-N 3.31Å; F107-R109 PolarHBondContact O-N 3.08Å; F107-D110 CarbonylContact O-C 3.34Å; F107-D110 PolarHBondContact O-N 3.22Å; F107-K111 PolarHBondContact O-N 2.87Å; F107-K111 VanDerWaalsContact O-N 3.12Å; F107-W112 HydrophobicContact CD2-CB 4.47Å; F107-W112 HydrophobicContact CE1-CB 4.44Å; F107-W112 HydrophobicContact CE2-CB 4.31Å; F107-W112 HydrophobicContact CE2-CE3 4.14Å; F107-W112 HydrophobicContact CZ-CB 4.29Å; F107-W112 HydrophobicContact CZ-CD2 4.16Å; F107-W112 AromaticContact CZ-CE3 3.79Å; F107-W112 HydrophobicContact CZ-CE3 3.79Å; F107-W112 HydrophobicContact CZ-CG 4.38Å; F107-W112 WeakPolarHBondContact O-CB 3.44Å; F107-W112 PolarHBondContact O-N 3Å; F107-F165 AromaticContact CE1-CD2 3.6Å; F107-F165 HydrophobicContact CE1-CD2 3.6Å; F107-F165 AromaticContact CE1-CE2 3.88Å; F107-F165 HydrophobicContact CE1-CE2 3.88Å; F107-F165 HydrophobicContact CZ-CB 4.38Å; F107-F165 AromaticContact CZ-CD2 3.59Å; F107-F165 HydrophobicContact CZ-CD2 3.59Å; F107-F165 HydrophobicContact CZ-CE2 4.33Å; F107-F165 HydrophobicContact CZ-CG 4.32Å; F107-L185 HydrophobicContact CE2-CB 3.79Å; F107-L185 HydrophobicContact CE2-CD2 4.28Å; F107-L185 HydrophobicContact CZ-CB 4.45Å; F107-P186 WeakPolarHBondContact CD2-O 3.46Å; F107-P186 VanDerWaalsContact CE2-O 3.31Å; F107-P186 WeakPolarHBondContact CE2-O 3.25Å; F107-R188 WeakPolarHBondContact CB-O 2.84Å; F107-V190 HydrophobicContact CD2-CG2 4.24Å |
| 108 | N | 98.7 | Very high | 98.7 | Very high | 29 Ų | 29 | 35.5 Ų | 35.5 | 16% | 0.155 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -51.1 | -49.3 | -177.1 | 177.7 | 36 | 0 | 0 | 0 | 112 | D73 Q102 I103 G104 D110 | D73-N108 HydrophobicContact CB-CB 4.45Å; D73-N108 VanDerWaalsContact CB-ND2 3.29Å; D73-N108 WeakPolarHBondContact CB-ND2 3.43Å; D73-N108 PolarHBondContact OD2-ND2 3.4Å; Q102-N108 HydrophobicContact CB-CB 3.89Å; Q102-N108 PolarHBondContact OE1-OD1 2.95Å; Q102-N108 VanDerWaalsContact OE1-OD1 3.05Å; I103-N108 VanDerWaalsContact O-CB 3.27Å; I103-N108 WeakPolarHBondContact O-CB 3.33Å; I103-N108 PolarHBondContact O-N 3.46Å; G104-N108 PolarHBondContact O-N 3.4Å; N108-D110 VanDerWaalsContact C-N 3.27Å; N108-D110 PolarHBondContact O-N 2.99Å |
| 109 | R | 98.3 | Very high | 98.7 | Very high | 157 Ų | 157 | 35.5 Ų | 35.5 | 59% | 0.592 | 16% | 0.164 | S | C | * | . | I | π-helix | trans | -79.9 | -10.3 | -175.6 | -54.8 | -179 | -169.8 | -177.4 | 2.5 | 113.3 | D73 G104 F107 | D73-R109 IonicContact OD1-CZ 2.91Å; D73-R109 IonicContact OD1-NE 2.73Å; D73-R109 PolarHBondContact OD1-NE 2.9Å; D73-R109 IonicContact OD1-NH2 3.08Å; D73-R109 PolarHBondContact OD1-NH2 3.4Å; D73-R109 WeakPolarHBondContact OD2-CG 3.27Å; D73-R109 IonicContact OD2-CZ 3.98Å; D73-R109 IonicContact OD2-NE 3.65Å; D73-R109 PolarHBondContact OD2-NE 3.31Å; D73-R109 IonicContact OD2-NH2 3.7Å; G104-R109 PolarHBondContact O-N 3.19Å; F107-R109 VanDerWaalsContact C-N 3.31Å; F107-R109 PolarHBondContact O-N 3.08Å |
| 110 | D | 98.5 | Very high | 98.7 | Very high | 32 Ų | 32 | 36.4 Ų | 36.4 | 17% | 0.171 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -128.6 | -97.4 | -170.6 | -66.1 | -58 | 0 | 0 | 0 | 111.8 | G106 F107 N108 W112 N113 E114 R192 | G106-D110 WeakPolarHBondContact CA-OD2 3.17Å; G106-D110 PolarHBondContact N-OD2 3.36Å; F107-D110 CarbonylContact O-C 3.34Å; F107-D110 PolarHBondContact O-N 3.22Å; N108-D110 VanDerWaalsContact C-N 3.27Å; N108-D110 PolarHBondContact O-N 2.99Å; D110-W112 PolarHBondContact O-N 3.01Å; D110-N113 WeakPolarHBondContact O-CB 3.35Å; D110-N113 PolarHBondContact O-N 2.94Å; D110-E114 PolarHBondContact O-N 2.68Å; D110-R192 IonicContact OD1-CZ 3.34Å; D110-R192 IonicContact OD1-NE 3.4Å; D110-R192 PolarHBondContact OD1-NE 2.82Å; D110-R192 IonicContact OD1-NH2 2.69Å; D110-R192 PolarHBondContact OD1-NH2 2.89Å; D110-R192 IonicContact OD2-NH2 3.58Å |
| 111 | K | 98.6 | Very high | 98.7 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -64.6 | -35.2 | -170.4 | -172.2 | 61.2 | 57.3 | -177.3 | 0 | 113.5 | F107 E114 L115 L185 V190 D191 R192 A194 L196 F199 | F107-K111 PolarHBondContact O-N 2.87Å; F107-K111 VanDerWaalsContact O-N 3.12Å; K111-E114 WeakPolarHBondContact CE-OE2 3.47Å; K111-E114 IonicContact NZ-OE1 3.49Å; K111-E114 PolarHBondContact NZ-OE1 2.99Å; K111-E114 IonicContact NZ-OE2 2.76Å; K111-E114 PolarHBondContact NZ-OE2 3.4Å; K111-E114 WeakPolarHBondContact O-CB 3.28Å; K111-E114 PolarHBondContact O-N 2.87Å; K111-L115 PolarHBondContact O-N 3.33Å; K111-L115 VanDerWaalsContact O-N 3.13Å; K111-L185 HydrophobicContact CG-CD2 3.88Å; K111-V190 HydrophobicContact CB-CB 4.02Å; K111-V190 HydrophobicContact CB-CG1 4.3Å; K111-V190 HydrophobicContact CD-CG1 4.49Å; K111-V190 HydrophobicContact CG-CB 4.08Å; K111-V190 HydrophobicContact CG-CG1 3.84Å; K111-D191 VanDerWaalsContact CE-O 3.27Å; K111-D191 WeakPolarHBondContact CE-O 3.3Å; K111-R192 PolarHBondContact NZ-O 2.87Å; K111-A194 WeakPolarHBondContact CE-O 3.32Å; K111-A194 PolarHBondContact NZ-O 2.88Å; K111-L196 HydrophobicContact CD-CD2 3.91Å; K111-F199 HydrophobicContact CD-CE2 4.29Å; K111-F199 HydrophobicContact CG-CE2 4.4Å |
| 112 | W | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -66.2 | -45 | 174.9 | -172.7 | -107.7 | 0 | 0 | 0 | 111.1 | F107 D110 E114 L115 E116 T133 F165 K167 L185 | F107-W112 HydrophobicContact CD2-CB 4.47Å; F107-W112 HydrophobicContact CE1-CB 4.44Å; F107-W112 HydrophobicContact CE2-CB 4.31Å; F107-W112 HydrophobicContact CE2-CE3 4.14Å; F107-W112 HydrophobicContact CZ-CB 4.29Å; F107-W112 HydrophobicContact CZ-CD2 4.16Å; F107-W112 AromaticContact CZ-CE3 3.79Å; F107-W112 HydrophobicContact CZ-CE3 3.79Å; F107-W112 HydrophobicContact CZ-CG 4.38Å; F107-W112 WeakPolarHBondContact O-CB 3.44Å; F107-W112 PolarHBondContact O-N 3Å; D110-W112 PolarHBondContact O-N 3.01Å; W112-E114 VanDerWaalsContact C-N 3.29Å; W112-E114 PolarHBondContact O-N 2.72Å; W112-L115 HydrophobicContact CE3-CD2 4.2Å; W112-L115 HydrophobicContact CZ3-CD2 3.95Å; W112-L115 WeakPolarHBondContact O-CB 3.47Å; W112-L115 PolarHBondContact O-N 3.26Å; W112-L115 VanDerWaalsContact O-N 3.12Å; W112-E116 PolarHBondContact NE1-OE1 2.97Å; W112-E116 WeakPolarHBondContact O-CG 3.36Å; W112-E116 PolarHBondContact O-N 3.46Å; W112-T133 HydrophobicContact CH2-CG2 3.98Å; W112-T133 HydrophobicContact CZ2-CG2 3.59Å; W112-F165 HydrophobicContact CE3-CB 4.3Å; W112-F165 HydrophobicContact CH2-CB 3.53Å; W112-F165 HydrophobicContact CH2-CG 4.45Å; W112-F165 HydrophobicContact CZ2-CB 4.23Å; W112-F165 HydrophobicContact CZ3-CB 3.57Å; W112-K167 HydrophobicContact CH2-CB 4.24Å; W112-L185 HydrophobicContact CE3-CD2 4.31Å; W112-L185 HydrophobicContact CZ3-CD1 4.28Å |
| 113 | N | 98.7 | Very high | 98.6 | Very high | 41 Ų | 41 | 44.3 Ų | 44.3 | 22% | 0.219 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.9 | -31.4 | 173.5 | 179.4 | 32.3 | 0 | 0 | 0 | 112.7 | D110 E116 K117 | D110-N113 WeakPolarHBondContact O-CB 3.35Å; D110-N113 PolarHBondContact O-N 2.94Å; N113-E116 PolarHBondContact O-N 2.77Å; N113-K117 WeakPolarHBondContact ND2-CE 3.27Å; N113-K117 WeakPolarHBondContact O-CB 3.27Å; N113-K117 VanDerWaalsContact O-CG 3.25Å; N113-K117 WeakPolarHBondContact O-CG 3.41Å; N113-K117 PolarHBondContact O-N 2.74Å |
| 114 | E | 98.7 | Very high | 98.6 | Very high | 74 Ų | 74 | 48.7 Ų | 48.7 | 35% | 0.346 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.8 | -46.2 | 170.7 | -171.3 | -173.1 | 142.1 | 0 | 0 | 111.4 | D110 K111 W112 E116 K117 H118 L196 | D110-E114 PolarHBondContact O-N 2.68Å; K111-E114 WeakPolarHBondContact CE-OE2 3.47Å; K111-E114 IonicContact NZ-OE1 3.49Å; K111-E114 PolarHBondContact NZ-OE1 2.99Å; K111-E114 IonicContact NZ-OE2 2.76Å; K111-E114 PolarHBondContact NZ-OE2 3.4Å; K111-E114 WeakPolarHBondContact O-CB 3.28Å; K111-E114 PolarHBondContact O-N 2.87Å; W112-E114 VanDerWaalsContact C-N 3.29Å; W112-E114 PolarHBondContact O-N 2.72Å; E114-E116 PolarHBondContact O-N 2.94Å; E114-K117 PolarHBondContact O-N 3.26Å; E114-H118 PolarHBondContact O-N 2.83Å; E114-L196 HydrophobicContact CG-CD1 4.22Å; E114-L196 HydrophobicContact CG-CD2 4.4Å; E114-L196 HydrophobicContact CG-CG 4.34Å |
| 115 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.2 | -42.7 | 174.1 | 176.9 | 59.2 | 0 | 0 | 0 | 111.8 | K111 W112 K117 H118 V119 K167 Y183 L185 L196 | K111-L115 PolarHBondContact O-N 3.33Å; K111-L115 VanDerWaalsContact O-N 3.13Å; W112-L115 HydrophobicContact CE3-CD2 4.2Å; W112-L115 HydrophobicContact CZ3-CD2 3.95Å; W112-L115 WeakPolarHBondContact O-CB 3.47Å; W112-L115 PolarHBondContact O-N 3.26Å; W112-L115 VanDerWaalsContact O-N 3.12Å; L115-K117 PolarHBondContact O-N 2.78Å; L115-H118 WeakPolarHBondContact O-CB 3.4Å; L115-H118 PolarHBondContact O-N 2.95Å; L115-V119 PolarHBondContact O-N 3.03Å; L115-K167 HydrophobicContact CD2-CB 3.95Å; L115-K167 HydrophobicContact CD2-CD 4.21Å; L115-K167 HydrophobicContact CG-CD 4.12Å; L115-Y183 HydrophobicContact CD1-CD1 4.09Å; L115-Y183 HydrophobicContact CD1-CD2 3.58Å; L115-Y183 HydrophobicContact CD1-CE1 4.11Å; L115-Y183 HydrophobicContact CD1-CE2 3.58Å; L115-Y183 HydrophobicContact CD1-CG 3.81Å; L115-Y183 HydrophobicContact CD2-CD2 4.4Å; L115-Y183 HydrophobicContact CD2-CG 4.19Å; L115-L185 HydrophobicContact CD2-CD1 3.72Å; L115-L196 HydrophobicContact CB-CD1 4.46Å; L115-L196 HydrophobicContact CB-CD2 3.9Å; L115-L196 HydrophobicContact CD1-CD1 4.34Å; L115-L196 HydrophobicContact CD1-CD2 4.49Å |
| 116 | E | 98.8 | Very high | 98.5 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 175.5 | -66.9 | 178.4 | 164 | 0 | 0 | 112.6 | A79 W112 N113 E114 H118 V119 R120 | A79-E116 HydrophobicContact CB-CG 4.3Å; A79-E116 WeakPolarHBondContact CB-OE1 3.44Å; W112-E116 PolarHBondContact NE1-OE1 2.97Å; W112-E116 WeakPolarHBondContact O-CG 3.36Å; W112-E116 PolarHBondContact O-N 3.46Å; N113-E116 PolarHBondContact O-N 2.77Å; E114-E116 PolarHBondContact O-N 2.94Å; E116-H118 VanDerWaalsContact C-N 3.32Å; E116-V119 PolarHBondContact O-N 2.92Å; E116-R120 PolarHBondContact O-N 2.82Å |
| 117 | K | 98.6 | Very high | 98.5 | Very high | 121 Ų | 121 | 48.7 Ų | 48.7 | 53% | 0.526 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.5 | -39.2 | 174.6 | -73.9 | 170 | -175.9 | 172.1 | 0 | 111.3 | N113 E114 L115 R120 K121 | N113-K117 WeakPolarHBondContact ND2-CE 3.27Å; N113-K117 WeakPolarHBondContact O-CB 3.27Å; N113-K117 VanDerWaalsContact O-CG 3.25Å; N113-K117 WeakPolarHBondContact O-CG 3.41Å; N113-K117 PolarHBondContact O-N 2.74Å; E114-K117 PolarHBondContact O-N 3.26Å; L115-K117 PolarHBondContact O-N 2.78Å; K117-R120 VanDerWaalsContact CG-NH2 3.27Å; K117-R120 PolarHBondContact O-N 3.12Å; K117-K121 PolarHBondContact O-N 3.35Å |
| 118 | H | 98.7 | Very high | 98.5 | Very high | 46 Ų | 46 | 49.7 Ų | 49.7 | 21% | 0.213 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.8 | -48.4 | 174.4 | 173.8 | 65.4 | 0 | 0 | 0 | 111.6 | E114 L115 E116 R120 K121 L122 E181 Y183 L196 | E114-H118 PolarHBondContact O-N 2.83Å; L115-H118 WeakPolarHBondContact O-CB 3.4Å; L115-H118 PolarHBondContact O-N 2.95Å; E116-H118 VanDerWaalsContact C-N 3.32Å; H118-R120 VanDerWaalsContact C-N 3.31Å; H118-R120 PolarHBondContact O-N 3.38Å; H118-K121 WeakPolarHBondContact O-CA 3.12Å; H118-K121 VanDerWaalsContact O-CB 3.27Å; H118-K121 WeakPolarHBondContact O-CB 3.5Å; H118-K121 PolarHBondContact O-N 2.56Å; H118-L122 PolarHBondContact O-N 3.48Å; H118-E181 IonicContact CD2-OE2 3.75Å; H118-E181 IonicContact CE1-OE2 2.83Å; H118-E181 IonicContact NE2-OE1 3.72Å; H118-E181 IonicContact NE2-OE2 3.82Å; H118-E181 PolarHBondContact NE2-OE2 3.24Å; H118-Y183 PolarHBondContact CD2-OH 2.73Å; H118-Y183 PolarHBondContact NE2-OH 2.89Å; H118-L196 HydrophobicContact CB-CD1 3.63Å |
| 119 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.2 | -39.6 | 176.2 | 171.1 | 0 | 0 | 0 | 0 | 112 | L32 L115 E116 K121 L122 A123 V129 V131 K167 A169 | L32-V119 HydrophobicContact CD1-CG1 4.04Å; L115-V119 PolarHBondContact O-N 3.03Å; E116-V119 PolarHBondContact O-N 2.92Å; V119-K121 VanDerWaalsContact C-N 3.33Å; V119-K121 PolarHBondContact O-N 2.85Å; V119-L122 WeakPolarHBondContact O-CB 3.37Å; V119-L122 PolarHBondContact O-N 2.87Å; V119-A123 PolarHBondContact O-N 3.3Å; V119-V129 HydrophobicContact CG1-CG1 4.42Å; V119-V131 HydrophobicContact CG1-CG1 4.38Å; V119-V131 HydrophobicContact CG1-CG2 3.56Å; V119-K167 HydrophobicContact CG2-CD 3.79Å; V119-A169 HydrophobicContact CG2-CB 4.46Å |
| 120 | R | 98.7 | Very high | 98.5 | Very high | 19 Ų | 19 | 41.5 Ų | 41.5 | 7% | 0.072 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.6 | -35.4 | 172.1 | -73.3 | -172.8 | -69.2 | -86.9 | 0.3 | 112.9 | M37 N82 E116 K117 H118 A123 R124 | M37-R120 HydrophobicContact SD-CB 4.27Å; M37-R120 HydrophobicContact SD-CG 3.93Å; N82-R120 VanDerWaalsContact OD1-CD 3.27Å; N82-R120 WeakPolarHBondContact OD1-CD 3.05Å; N82-R120 WeakPolarHBondContact OD1-CG 3.37Å; N82-R120 PolarHBondContact OD1-NH1 3.23Å; E116-R120 PolarHBondContact O-N 2.82Å; K117-R120 VanDerWaalsContact CG-NH2 3.27Å; K117-R120 PolarHBondContact O-N 3.12Å; H118-R120 VanDerWaalsContact C-N 3.31Å; H118-R120 PolarHBondContact O-N 3.38Å; R120-A123 PolarHBondContact O-N 3.15Å; R120-R124 WeakPolarHBondContact O-CG 3.4Å; R120-R124 PolarHBondContact O-N 3.21Å |
| 121 | K | 98.5 | Very high | 98.5 | Very high | 147 Ų | 147 | 40 Ų | 40 | 64% | 0.639 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -62.6 | -44.3 | 173.7 | -175.4 | -175.3 | 176.5 | -177.2 | 0 | 110.5 | K117 H118 V119 A123 R124 A125 | K117-K121 PolarHBondContact O-N 3.35Å; H118-K121 WeakPolarHBondContact O-CA 3.12Å; H118-K121 VanDerWaalsContact O-CB 3.27Å; H118-K121 WeakPolarHBondContact O-CB 3.5Å; H118-K121 PolarHBondContact O-N 2.56Å; V119-K121 VanDerWaalsContact C-N 3.33Å; V119-K121 PolarHBondContact O-N 2.85Å; K121-A123 VanDerWaalsContact C-N 3.34Å; K121-A123 PolarHBondContact O-N 2.81Å; K121-R124 PolarHBondContact O-N 3.46Å; K121-A125 PolarHBondContact O-N 3.03Å |
| 122 | L | 98.4 | Very high | 98.5 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 10% | 0.099 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.1 | -45.9 | 173.2 | -63 | 174.1 | 0 | 0 | 0 | 111.2 | H118 V119 R124 A125 N126 V129 V171 F179 E181 | H118-L122 PolarHBondContact O-N 3.48Å; V119-L122 WeakPolarHBondContact O-CB 3.37Å; V119-L122 PolarHBondContact O-N 2.87Å; L122-R124 VanDerWaalsContact C-N 3.29Å; L122-R124 PolarHBondContact O-N 3.15Å; L122-A125 PolarHBondContact O-N 3.06Å; L122-A125 VanDerWaalsContact O-N 3.08Å; L122-N126 WeakPolarHBondContact O-CB 3.47Å; L122-N126 PolarHBondContact O-N 2.9Å; L122-N126 PolarHBondContact O-ND2 3.4Å; L122-V129 HydrophobicContact CB-CG2 4.28Å; L122-V171 HydrophobicContact CD1-CG2 4.15Å; L122-F179 HydrophobicContact CD2-CE2 4.41Å; L122-F179 HydrophobicContact CD2-CZ 4.17Å; L122-E181 WeakPolarHBondContact CD1-OE2 3.49Å |
| 123 | A | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.7 | -31.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | L32 T33 P34 M37 V119 R120 K121 V129 | L32-A123 HydrophobicContact CB-CB 3.61Å; L32-A123 HydrophobicContact CD1-CB 4.11Å; T33-A123 CarbonylContact C-O 3.49Å; P34-A123 WeakPolarHBondContact CD-O 3.24Å; P34-A123 WeakPolarHBondContact CG-O 3.39Å; M37-A123 HydrophobicContact CG-CB 3.76Å; M37-A123 HydrophobicContact SD-CB 4.07Å; V119-A123 PolarHBondContact O-N 3.3Å; R120-A123 PolarHBondContact O-N 3.15Å; K121-A123 VanDerWaalsContact C-N 3.34Å; K121-A123 PolarHBondContact O-N 2.81Å; A123-V129 HydrophobicContact CB-CB 4.28Å; A123-V129 HydrophobicContact CB-CG2 4.14Å |
| 124 | R | 98.2 | Very high | 98.6 | Very high | 129 Ų | 129 | 37.9 Ų | 37.9 | 49% | 0.487 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -75.5 | -30.5 | 173.8 | -68.8 | -177.3 | -164 | 121.5 | 1.6 | 113.2 | M37 R120 K121 L122 | M37-R124 HydrophobicContact CB-CG 3.71Å; M37-R124 HydrophobicContact CG-CG 4Å; R120-R124 WeakPolarHBondContact O-CG 3.4Å; R120-R124 PolarHBondContact O-N 3.21Å; K121-R124 PolarHBondContact O-N 3.46Å; L122-R124 VanDerWaalsContact C-N 3.29Å; L122-R124 PolarHBondContact O-N 3.15Å |
| 125 | A | 97.8 | Very high | 98.6 | Very high | 75 Ų | 75 | 34.9 Ų | 34.9 | 62% | 0.62 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -93.1 | -11.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | K121 L122 | K121-A125 PolarHBondContact O-N 3.03Å; L122-A125 PolarHBondContact O-N 3.06Å; L122-A125 VanDerWaalsContact O-N 3.08Å |
| 126 | N | 98.2 | Very high | 98.6 | Very high | 21 Ų | 21 | 35 Ų | 35 | 11% | 0.112 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -128.1 | 157.5 | -171.5 | -67.2 | -80.7 | 0 | 0 | 0 | 111.1 | P34 L122 V129 V171 E172 | P34-N126 WeakPolarHBondContact CD-O 3.12Å; P34-N126 WeakPolarHBondContact CG-O 3.46Å; L122-N126 WeakPolarHBondContact O-CB 3.47Å; L122-N126 PolarHBondContact O-N 2.9Å; L122-N126 PolarHBondContact O-ND2 3.4Å; N126-V129 HydrophobicContact CB-CG2 4.31Å; N126-V171 HydrophobicContact CB-CG1 3.43Å; N126-V171 VanDerWaalsContact CB-CG1 3.43Å; N126-E172 WeakPolarHBondContact CB-O 3.42Å |
| 127 | K | 97.8 | Very high | 98.5 | Very high | 92 Ų | 92 | 37.5 Ų | 37.5 | 40% | 0.4 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -65 | -47.1 | -173.5 | -176.5 | -177.7 | 170.8 | -162.2 | 0 | 111.8 | E172 S176 | K127-E172 WeakPolarHBondContact CB-O 3.41Å; K127-E172 HydrophobicContact CD-CG 4.31Å; K127-E172 WeakPolarHBondContact CD-OE1 3.18Å; K127-E172 WeakPolarHBondContact CE-OE1 3.48Å; K127-E172 PolarHBondContact N-O 2.69Å; K127-E172 IonicContact NZ-OE1 2.79Å; K127-E172 PolarHBondContact NZ-OE1 2.88Å; K127-S176 PolarHBondContact NZ-OG 3.08Å |
| 128 | N | 98.4 | Very high | 98.5 | Very high | 22 Ų | 22 | 34 Ų | 34 | 12% | 0.118 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 142.4 | 176.1 | -65.9 | -68.8 | 0 | 0 | 0 | 110.4 | H31 T33 Y130 E172 | H31-N128 PolarHBondContact NE2-OD1 3.34Å; T33-N128 WeakPolarHBondContact CG2-OD1 3.38Å; N128-Y130 HydrophobicContact CB-CD2 4.38Å; N128-Y130 HydrophobicContact CB-CE2 3.59Å; N128-E172 HydrophobicContact CB-CB 3.98Å; N128-E172 PolarHBondContact N-O 3.27Å; N128-E172 PolarHBondContact ND2-OE2 3.34Å; N128-E172 PolarHBondContact O-N 3.15Å |
| 129 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 120 | 169.7 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | L32 V119 L122 A123 N126 V131 A169 L170 V171 | L32-V129 HydrophobicContact CB-CB 4.34Å; L32-V129 PolarHBondContact N-O 3.22Å; L32-V129 PolarHBondContact O-N 2.89Å; V119-V129 HydrophobicContact CG1-CG1 4.42Å; L122-V129 HydrophobicContact CB-CG2 4.28Å; A123-V129 HydrophobicContact CB-CB 4.28Å; A123-V129 HydrophobicContact CB-CG2 4.14Å; N126-V129 HydrophobicContact CB-CG2 4.31Å; V129-V131 HydrophobicContact CG1-CG2 3.76Å; V129-A169 HydrophobicContact CG1-CB 4.36Å; V129-L170 CarbonylContact C-O 3.59Å; V129-L170 WeakPolarHBondContact CA-O 3.42Å; V129-V171 HydrophobicContact CG1-CG2 4.21Å; V129-V171 HydrophobicContact CG2-CB 4.43Å; V129-V171 HydrophobicContact CG2-CG1 3.99Å; V129-V171 HydrophobicContact CG2-CG2 4.11Å |
| 130 | Y | 98.7 | Very high | 98.3 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 6% | 0.055 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.6 | 174.7 | -58 | -98.4 | 0 | 0 | 0 | 108.1 | R2 F3 E30 H31 N128 A169 L170 W178 F215 | R2-Y130 HydrophobicContact CB-CE1 4.12Å; R2-Y130 WeakPolarHBondContact CD-OH 3.41Å; F3-Y130 HydrophobicContact CD2-CD1 4.21Å; F3-Y130 HydrophobicContact CD2-CD2 4.04Å; F3-Y130 HydrophobicContact CD2-CE1 4.34Å; F3-Y130 HydrophobicContact CD2-CE2 4.23Å; F3-Y130 HydrophobicContact CD2-CG 4.04Å; F3-Y130 HydrophobicContact CE2-CD1 4.34Å; F3-Y130 AromaticContact CE2-CD2 3.62Å; F3-Y130 HydrophobicContact CE2-CD2 3.62Å; F3-Y130 HydrophobicContact CE2-CE1 4.15Å; F3-Y130 AromaticContact CE2-CE2 3.45Å; F3-Y130 HydrophobicContact CE2-CE2 3.45Å; F3-Y130 VanDerWaalsContact CE2-CE2 3.45Å; F3-Y130 HydrophobicContact CE2-CG 4.07Å; F3-Y130 AromaticContact CE2-CZ 3.71Å; F3-Y130 HydrophobicContact CZ-CE2 4.39Å; E30-Y130 WeakPolarHBondContact O-CA 3.42Å; H31-Y130 HydrophobicContact CB-CD1 4.1Å; H31-Y130 HydrophobicContact CB-CE1 4.17Å; H31-Y130 AromaticContact CD2-CD1 3.97Å; H31-Y130 AromaticContact CD2-CE1 3.62Å; H31-Y130 AromaticContact CD2-CZ 3.72Å; H31-Y130 AromaticContact CG-CE1 3.76Å; H31-Y130 AromaticContact NE2-CZ 3.84Å; N128-Y130 HydrophobicContact CB-CD2 4.38Å; N128-Y130 HydrophobicContact CB-CE2 3.59Å; Y130-A169 CarbonylContact O-C 3.58Å; Y130-A169 WeakPolarHBondContact O-CA 3.18Å; Y130-L170 PolarHBondContact N-O 2.78Å; Y130-L170 PolarHBondContact O-N 3.14Å; Y130-W178 HydrophobicContact CD2-CZ3 4.1Å; Y130-W178 AromaticContact CE2-CH2 3.92Å; Y130-W178 HydrophobicContact CE2-CH2 3.92Å; Y130-W178 AromaticContact CE2-CZ3 3.96Å; Y130-W178 HydrophobicContact CE2-CZ3 3.96Å; Y130-F215 WeakPolarHBondContact O-CZ 3.49Å |
| 131 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 122.9 | -172.3 | -168.8 | 0 | 0 | 0 | 0 | 109.2 | M29 E30 L32 V119 V129 K167 V168 | M29-V131 CarbonylContact C-O 3.04Å; M29-V131 WeakPolarHBondContact CA-O 3.31Å; E30-V131 HydrophobicContact CB-CB 4.27Å; E30-V131 PolarHBondContact N-O 2.86Å; E30-V131 PolarHBondContact O-N 2.94Å; L32-V131 HydrophobicContact CD1-CG2 4.04Å; L32-V131 HydrophobicContact CG-CG2 4.43Å; V119-V131 HydrophobicContact CG1-CG1 4.38Å; V119-V131 HydrophobicContact CG1-CG2 3.56Å; V129-V131 HydrophobicContact CG1-CG2 3.76Å; V131-K167 HydrophobicContact CG1-CD 3.93Å; V131-K167 HydrophobicContact CG1-CG 3.61Å; V131-V168 CarbonylContact C-O 3.47Å; V131-V168 WeakPolarHBondContact CA-O 3.46Å |
| 132 | C | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 126.7 | 168.4 | -168.8 | 0 | 0 | 0 | 0 | 108.6 | V28 M29 F166 K167 V168 I214 F215 | V28-C132 WeakPolarHBondContact O-CA 3.31Å; M29-C132 HydrophobicContact CE-CB 3.85Å; M29-C132 HydrophobicContact SD-CB 3.78Å; C132-F166 HydrophobicContact CB-CE2 4.3Å; C132-K167 CarbonylContact O-C 3.49Å; C132-K167 WeakPolarHBondContact O-CA 3.36Å; C132-V168 HydrophobicContact CB-CB 4.47Å; C132-V168 PolarHBondContact N-O 3.31Å; C132-V168 PolarHBondContact O-N 3.47Å; C132-I214 HydrophobicContact CB-CG2 3.81Å; C132-F215 HydrophobicContact CB-CZ 4.25Å |
| 133 | T | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 139.7 | 179.9 | -51.1 | 0 | 0 | 0 | 0 | 109.7 | W27 V28 L77 W112 F166 K167 | W27-T133 CarbonylContact C-O 3.58Å; W27-T133 VanDerWaalsContact CA-O 3.25Å; W27-T133 WeakPolarHBondContact CA-O 3.35Å; V28-T133 PolarHBondContact N-O 3.4Å; V28-T133 PolarHBondContact O-N 2.88Å; L77-T133 HydrophobicContact CB-CG2 4.29Å; L77-T133 HydrophobicContact CD2-CG2 4.28Å; W112-T133 HydrophobicContact CH2-CG2 3.98Å; W112-T133 HydrophobicContact CZ2-CG2 3.59Å; T133-F166 WeakPolarHBondContact CA-O 3.25Å; T133-F166 WeakPolarHBondContact CG2-O 3.3Å; T133-K167 PolarHBondContact OG1-NZ 2.78Å |
| 134 | G | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | 169.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F165 F166 | G134-F165 WeakPolarHBondContact O-CA 3.4Å; G134-F166 PolarHBondContact N-O 3.32Å; G134-F166 WeakPolarHBondContact O-CD1 3.44Å; G134-F166 PolarHBondContact O-N 3.1Å |
| 135 | P | 98.8 | Very high | 97.7 | Very high | 10 Ų | 10 | 53.3 Ų | 53.3 | 7% | 0.065 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 160.3 | 173.1 | 33.6 | -36.8 | 0 | 0 | 0 | 112.3 | T24 A25 H26 Y137 P162 F165 | T24-P135 HydrophobicContact CG2-CG 4.41Å; A25-P135 WeakPolarHBondContact O-CD 3.46Å; A25-P135 WeakPolarHBondContact O-CG 3.19Å; H26-P135 WeakPolarHBondContact O-CD 3.34Å; P135-Y137 HydrophobicContact CB-CE2 4.31Å; P135-Y137 HydrophobicContact CG-CE2 4.39Å; P135-P162 HydrophobicContact CB-CB 3.54Å; P135-P162 HydrophobicContact CB-CG 3.34Å; P135-P162 HydrophobicContact CG-CG 4.49Å; P135-F165 HydrophobicContact CB-CD1 4.36Å; P135-F165 HydrophobicContact CB-CE1 4.14Å |
| 136 | L | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 148.3 | 167 | -63.8 | 173.1 | 0 | 0 | 0 | 110.1 | L138 T163 H164 F166 V184 A209 A210 | L136-L138 HydrophobicContact CB-CD2 3.94Å; L136-L138 HydrophobicContact CB-CG 4.08Å; L136-L138 HydrophobicContact CD1-CD2 4.21Å; L136-T163 PolarHBondContact O-N 3.32Å; L136-T163 PolarHBondContact O-OG1 3.41Å; L136-H164 HydrophobicContact CB-CB 4.12Å; L136-H164 PolarHBondContact N-O 2.96Å; L136-H164 PolarHBondContact O-N 3.26Å; L136-H164 VanDerWaalsContact O-N 3.15Å; L136-F166 HydrophobicContact CD1-CB 4.08Å; L136-F166 HydrophobicContact CD1-CD1 4.36Å; L136-F166 HydrophobicContact CD2-CD1 3.87Å; L136-F166 HydrophobicContact CD2-CE1 4.42Å; L136-F166 HydrophobicContact CG-CB 4.46Å; L136-F166 HydrophobicContact CG-CD1 3.88Å; L136-V184 HydrophobicContact CD1-CG1 4.06Å; L136-V184 HydrophobicContact CD1-CG2 4.09Å; L136-A209 HydrophobicContact CD2-CB 3.98Å; L136-A210 HydrophobicContact CD2-CB 3.7Å |
| 137 | Y | 98.4 | Very high | 97.6 | Very high | 68 Ų | 68 | 60.8 Ų | 60.8 | 27% | 0.267 | 31% | 0.307 | S | S | . | . | trans | -120.4 | 73.9 | 176.8 | -56.4 | -83.9 | 0 | 0 | 0 | 109.4 | T24 P135 V149 F151 A160 P162 | T24-Y137 WeakPolarHBondContact CG2-OH 3.44Å; P135-Y137 HydrophobicContact CB-CE2 4.31Å; P135-Y137 HydrophobicContact CG-CE2 4.39Å; Y137-V149 WeakPolarHBondContact O-CG1 3.32Å; Y137-F151 HydrophobicContact CD1-CB 4.21Å; Y137-F151 AromaticContact CD1-CD1 3.52Å; Y137-F151 HydrophobicContact CD1-CD1 3.52Å; Y137-F151 HydrophobicContact CD1-CD2 4.27Å; Y137-F151 AromaticContact CD1-CE1 3.86Å; Y137-F151 HydrophobicContact CD1-CE1 3.86Å; Y137-F151 AromaticContact CD1-CG 3.75Å; Y137-F151 HydrophobicContact CD1-CG 3.75Å; Y137-F151 HydrophobicContact CD1-CZ 4.36Å; Y137-F151 HydrophobicContact CE1-CD1 4.24Å; Y137-F151 HydrophobicContact CE1-CD2 4.18Å; Y137-F151 HydrophobicContact CE1-CE1 4.46Å; Y137-F151 HydrophobicContact CE1-CE2 4.41Å; Y137-F151 HydrophobicContact CE1-CG 4.09Å; Y137-F151 HydrophobicContact CG-CD1 4.24Å; Y137-F151 HydrophobicContact CG-CE1 4.3Å; Y137-A160 HydrophobicContact CE1-CB 3.89Å; Y137-A160 WeakPolarHBondContact OH-CB 3.47Å; Y137-P162 HydrophobicContact CE1-CB 4.26Å; Y137-P162 HydrophobicContact CE1-CG 4.35Å | ||
| 138 | L | 98.1 | Very high | 97.6 | Very high | 48 Ų | 48 | 58.6 Ų | 58.6 | 25% | 0.251 | 30% | 0.302 | S | S | . | . | trans | -76.3 | 141.3 | -173.3 | -56 | -171.8 | 0 | 0 | 0 | 112.7 | L136 T163 H164 V184 A209 | L136-L138 HydrophobicContact CB-CD2 3.94Å; L136-L138 HydrophobicContact CB-CG 4.08Å; L136-L138 HydrophobicContact CD1-CD2 4.21Å; L138-T163 PolarHBondContact N-OG1 2.98Å; L138-H164 HydrophobicContact CD1-CB 4.22Å; L138-H164 HydrophobicContact CG-CB 4.47Å; L138-V184 HydrophobicContact CD1-CG1 4.43Å; L138-A209 HydrophobicContact CD2-CB 3.54Å | ||
| 139 | P | 97.4 | Very high | 97.6 | Very high | 73 Ų | 73 | 61.1 Ų | 61.1 | 47% | 0.474 | 32% | 0.319 | S | S | . | . | trans | -73 | 150.1 | 178.3 | 30.6 | -35.2 | 0 | 0 | 0 | 112 | L147 C148 V149 | P139-L147 HydrophobicContact CB-CB 4.28Å; P139-L147 HydrophobicContact CB-CD2 4.46Å; P139-C148 CarbonylContact C-O 3.48Å; P139-C148 VanDerWaalsContact CA-O 3.23Å; P139-C148 WeakPolarHBondContact CA-O 3.41Å; P139-V149 HydrophobicContact CB-CG2 3.91Å | ||
| 140 | R | 95.6 | Very high | 97.5 | Very high | 189 Ų | 189 | 65.8 Ų | 65.8 | 71% | 0.713 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 147.3 | 169.1 | -175.8 | 177.6 | 174.5 | -178.4 | -2.2 | 109.5 | E142 L147 C148 | R140-E142 PolarHBondContact O-N 3.01Å; R140-L147 WeakPolarHBondContact O-CA 3.42Å; R140-C148 PolarHBondContact N-O 2.95Å; R140-C148 PolarHBondContact O-N 3.49Å |
| 141 | R | 96.3 | Very high | 97.5 | Very high | 167 Ų | 167 | 69.3 Ų | 69.3 | 63% | 0.63 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 120 | 171.1 | -166.5 | 176 | -63.8 | -92.1 | 5.4 | 109.4 | G145 K146 L147 | R141-G145 PolarHBondContact NH1-O 3.46Å; R141-K146 WeakPolarHBondContact CA-O 3.32Å; R141-L147 HydrophobicContact CB-CD2 4.08Å |
| 142 | E | 95.2 | Very high | 97.4 | Very high | 79 Ų | 79 | 74 Ų | 74 | 37% | 0.369 | 39% | 0.385 | S | S | . | . | trans | -80.9 | 168.5 | 176.1 | -67.2 | -61 | 152.3 | 0 | 0 | 111.2 | R140 N144 G145 K146 C148 | R140-E142 PolarHBondContact O-N 3.01Å; E142-N144 PolarHBondContact O-N 3.26Å; E142-N144 VanDerWaalsContact O-N 3.12Å; E142-G145 PolarHBondContact O-N 3.22Å; E142-K146 PolarHBondContact N-O 3.39Å; E142-C148 HydrophobicContact CG-CB 3.78Å | ||
| 143 | A | 95.4 | Very high | 97.4 | Very high | 115 Ų | 115 | 77.2 Ų | 77.2 | 95% | 0.95 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G145 | A143-G145 PolarHBondContact O-N 2.88Š|
| 144 | N | 95.8 | Very high | 97.4 | Very high | 109 Ų | 109 | 77.5 Ų | 77.5 | 58% | 0.583 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 5.5 | 175.4 | 68 | 11 | 0 | 0 | 0 | 113.9 | E142 K146 | E142-N144 PolarHBondContact O-N 3.26Å; E142-N144 VanDerWaalsContact O-N 3.12Å; N144-K146 VanDerWaalsContact C-N 3.27Å; N144-K146 PolarHBondContact O-N 3.25Å; N144-K146 WeakPolarHBondContact OD1-CB 3.36Å; N144-K146 PolarHBondContact OD1-N 2.93Å |
| 145 | G | 96.7 | Very high | 97.4 | Very high | 34 Ų | 34 | 79.4 Ų | 79.4 | 35% | 0.351 | 43% | 0.425 | S | S | . | . | S | Bend | trans | 80.3 | -7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R141 E142 A143 | R141-G145 PolarHBondContact NH1-O 3.46Å; E142-G145 PolarHBondContact O-N 3.22Å; A143-G145 PolarHBondContact O-N 2.88Å |
| 146 | K | 97.9 | Very high | 97.3 | Very high | 143 Ų | 143 | 88.2 Ų | 88.2 | 62% | 0.622 | 46% | 0.462 | S | S | * | . | trans | -79.9 | 151.7 | 177.6 | -61.1 | -177.4 | 179.5 | -179.8 | 0 | 111.1 | R141 E142 N144 | R141-K146 WeakPolarHBondContact CA-O 3.32Å; E142-K146 PolarHBondContact N-O 3.39Å; N144-K146 VanDerWaalsContact C-N 3.27Å; N144-K146 PolarHBondContact O-N 3.25Å; N144-K146 WeakPolarHBondContact OD1-CB 3.36Å; N144-K146 PolarHBondContact OD1-N 2.93Å | ||
| 147 | L | 97.3 | Very high | 97.2 | Very high | 110 Ų | 110 | 90.2 Ų | 90.2 | 58% | 0.576 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 125.3 | 170 | -72.4 | 172.3 | 0 | 0 | 0 | 108.9 | P139 R140 R141 | P139-L147 HydrophobicContact CB-CB 4.28Å; P139-L147 HydrophobicContact CB-CD2 4.46Å; R140-L147 WeakPolarHBondContact O-CA 3.42Å; R141-L147 HydrophobicContact CB-CD2 4.08Å |
| 148 | C | 97.5 | Very high | 97.2 | Very high | 45 Ų | 45 | 93.1 Ų | 93.1 | 30% | 0.304 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 143.4 | 177.3 | -65 | 0 | 0 | 0 | 0 | 109.8 | P139 R140 E142 | P139-C148 CarbonylContact C-O 3.48Å; P139-C148 VanDerWaalsContact CA-O 3.23Å; P139-C148 WeakPolarHBondContact CA-O 3.41Å; R140-C148 PolarHBondContact N-O 2.95Å; R140-C148 PolarHBondContact O-N 3.49Å; E142-C148 HydrophobicContact CG-CB 3.78Å |
| 149 | V | 97.7 | Very high | 97.2 | Very high | 76 Ų | 76 | 90.9 Ų | 90.9 | 46% | 0.461 | 48% | 0.477 | S | S | . | . | trans | -97.2 | 115.4 | 166.6 | 177.6 | 0 | 0 | 0 | 0 | 106.9 | Y137 P139 F151 | Y137-V149 WeakPolarHBondContact O-CG1 3.32Å; P139-V149 HydrophobicContact CB-CG2 3.91Å; V149-F151 HydrophobicContact CG1-CD1 3.91Å; V149-F151 HydrophobicContact CG1-CE1 4.04Å | ||
| 150 | T | 96.9 | Very high | 97.3 | Very high | 97 Ų | 97 | 88.1 Ų | 88.1 | 60% | 0.595 | 46% | 0.46 | S | S | * | . | trans | -128.4 | 130.3 | -179.9 | -51.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 151 | F | 97.8 | Very high | 97.4 | Very high | 89 Ų | 89 | 79.5 Ų | 79.5 | 39% | 0.39 | 43% | 0.429 | S | S | . | . | trans | -149.6 | 153.3 | 175.7 | 54.1 | -93.9 | 0 | 0 | 0 | 110.6 | Y137 V149 V153 A160 V161 T163 | Y137-F151 HydrophobicContact CD1-CB 4.21Å; Y137-F151 AromaticContact CD1-CD1 3.52Å; Y137-F151 HydrophobicContact CD1-CD1 3.52Å; Y137-F151 HydrophobicContact CD1-CD2 4.27Å; Y137-F151 AromaticContact CD1-CE1 3.86Å; Y137-F151 HydrophobicContact CD1-CE1 3.86Å; Y137-F151 AromaticContact CD1-CG 3.75Å; Y137-F151 HydrophobicContact CD1-CG 3.75Å; Y137-F151 HydrophobicContact CD1-CZ 4.36Å; Y137-F151 HydrophobicContact CE1-CD1 4.24Å; Y137-F151 HydrophobicContact CE1-CD2 4.18Å; Y137-F151 HydrophobicContact CE1-CE1 4.46Å; Y137-F151 HydrophobicContact CE1-CE2 4.41Å; Y137-F151 HydrophobicContact CE1-CG 4.09Å; Y137-F151 HydrophobicContact CG-CD1 4.24Å; Y137-F151 HydrophobicContact CG-CE1 4.3Å; V149-F151 HydrophobicContact CG1-CD1 3.91Å; V149-F151 HydrophobicContact CG1-CE1 4.04Å; F151-V153 HydrophobicContact CD2-CG1 4.29Å; F151-V153 HydrophobicContact CE2-CG1 4.09Å; F151-A160 HydrophobicContact CD2-CB 3.95Å; F151-A160 HydrophobicContact CE2-CB 3.71Å; F151-V161 WeakPolarHBondContact CB-O 3.42Å; F151-T163 HydrophobicContact CB-CG2 4.23Å | ||
| 152 | E | 98.4 | Very high | 97.5 | Very high | 97 Ų | 97 | 71.7 Ų | 71.7 | 45% | 0.453 | 40% | 0.4 | S | S | . | . | trans | -75.7 | 151.3 | 174.4 | -178.7 | 175.5 | 160.4 | 0 | 0 | 110.8 | Y72 I154 V161 | Y72-E152 PolarHBondContact OH-OE2 3.13Å; E152-I154 HydrophobicContact CG-CG2 4.19Å; E152-I154 WeakPolarHBondContact OE1-CG2 3.31Å; E152-V161 HydrophobicContact CB-CB 4.12Å; E152-V161 HydrophobicContact CB-CG2 3.9Å; E152-V161 HydrophobicContact CG-CG2 4.13Å; E152-V161 WeakPolarHBondContact O-CB 3.36Å; E152-V161 WeakPolarHBondContact O-CG2 3.38Å; E152-V161 PolarHBondContact O-N 3.2Å | ||
| 153 | V | 98.5 | Very high | 97.7 | Very high | 68 Ų | 68 | 69.3 Ų | 69.3 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.2 | 165.4 | -65 | 0 | 0 | 0 | 0 | 108.9 | F151 H158 V159 | F151-V153 HydrophobicContact CD2-CG1 4.29Å; F151-V153 HydrophobicContact CE2-CG1 4.09Å; V153-H158 HydrophobicContact CB-CB 3.97Å; V153-H158 HydrophobicContact CG1-CB 4.41Å; V153-H158 HydrophobicContact CG2-CB 4.07Å; V153-V159 CarbonylContact C-O 3.43Å; V153-V159 WeakPolarHBondContact CA-O 3.28Å |
| 154 | I | 98.5 | Very high | 97.8 | Very high | 7 Ų | 7 | 66.2 Ų | 66.2 | 4% | 0.036 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 150.3 | -176.6 | 64.8 | 173.1 | 0 | 0 | 0 | 112.1 | D66 Y67 Y72 P101 E152 H158 V159 V161 | D66-I154 WeakPolarHBondContact O-CD1 3.26Å; Y67-I154 HydrophobicContact CD1-CD1 3.99Å; Y67-I154 HydrophobicContact CE1-CD1 4.31Å; Y67-I154 HydrophobicContact CG-CD1 4.33Å; Y72-I154 HydrophobicContact CD2-CD1 4.41Å; Y72-I154 HydrophobicContact CD2-CG2 3.97Å; Y72-I154 HydrophobicContact CE2-CG2 4Å; P101-I154 HydrophobicContact CB-CD1 3.95Å; P101-I154 HydrophobicContact CG-CD1 3.66Å; P101-I154 HydrophobicContact CG-CG1 4.15Å; E152-I154 HydrophobicContact CG-CG2 4.19Å; E152-I154 WeakPolarHBondContact OE1-CG2 3.31Å; I154-H158 WeakPolarHBondContact O-CA 3.29Å; I154-H158 PolarHBondContact O-N 3.28Å; I154-V159 HydrophobicContact CG1-CB 3.98Å; I154-V159 PolarHBondContact N-O 2.87Å; I154-V159 PolarHBondContact O-N 3.12Å; I154-V161 HydrophobicContact CG2-CG2 3.76Å |
| 155 | G | 98 | Very high | 98 | Very high | 39 Ų | 39 | 61 Ų | 61 | 40% | 0.402 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | -178.3 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | D66 N157 H158 | D66-G155 WeakPolarHBondContact OD1-CA 3.34Å; G155-N157 VanDerWaalsContact C-N 3.25Å; G155-N157 PolarHBondContact O-N 3.44Å; G155-H158 PolarHBondContact O-N 2.89Å |
| 156 | K | 97.1 | Very high | 98.1 | Very high | 195 Ų | 195 | 59.4 Ų | 59.4 | 85% | 0.848 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -23.3 | -179.5 | -68.4 | -173.4 | 178.7 | -177.6 | 0 | 112.2 | D66 H158 | D66-K156 PolarHBondContact OD1-N 2.83Å; K156-H158 VanDerWaalsContact C-N 3.31Å |
| 157 | N | 97.7 | Very high | 98.1 | Very high | 47 Ų | 47 | 52.6 Ų | 52.6 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 6.6 | 178.7 | -57.2 | -61.1 | 0 | 0 | 0 | 112.8 | D66 G155 V159 | D66-N157 VanDerWaalsContact CG-ND2 3.34Å; D66-N157 PolarHBondContact OD1-N 3.15Å; D66-N157 VanDerWaalsContact OD1-N 3.13Å; D66-N157 PolarHBondContact OD1-ND2 3.15Å; D66-N157 VanDerWaalsContact OD1-ND2 3.15Å; D66-N157 PolarHBondContact OD2-ND2 3.04Å; G155-N157 VanDerWaalsContact C-N 3.25Å; G155-N157 PolarHBondContact O-N 3.44Å; N157-V159 VanDerWaalsContact C-N 3.34Å; N157-V159 HydrophobicContact CB-CG2 4.49Å; N157-V159 PolarHBondContact O-N 2.82Å |
| 158 | H | 97.4 | Very high | 98.2 | Very high | 128 Ų | 128 | 47.4 Ų | 47.4 | 59% | 0.593 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 49.9 | 177.3 | -56.5 | 143.2 | 0 | 0 | 0 | 113.3 | V153 I154 G155 K156 A160 | V153-H158 HydrophobicContact CB-CB 3.97Å; V153-H158 HydrophobicContact CG1-CB 4.41Å; V153-H158 HydrophobicContact CG2-CB 4.07Å; I154-H158 WeakPolarHBondContact O-CA 3.29Å; I154-H158 PolarHBondContact O-N 3.28Å; G155-H158 PolarHBondContact O-N 2.89Å; K156-H158 VanDerWaalsContact C-N 3.31Å; H158-A160 PolarHBondContact O-N 3.01Å |
| 159 | V | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 119.8 | 179 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | D66 P101 V153 I154 N157 | D66-V159 HydrophobicContact CB-CG2 3.97Å; P101-V159 HydrophobicContact CG-CG1 3.87Å; V153-V159 CarbonylContact C-O 3.43Å; V153-V159 WeakPolarHBondContact CA-O 3.28Å; I154-V159 HydrophobicContact CG1-CB 3.98Å; I154-V159 PolarHBondContact N-O 2.87Å; I154-V159 PolarHBondContact O-N 3.12Å; N157-V159 VanDerWaalsContact C-N 3.34Å; N157-V159 HydrophobicContact CB-CG2 4.49Å; N157-V159 PolarHBondContact O-N 2.82Å |
| 160 | A | 98.5 | Very high | 98.3 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 12% | 0.124 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 134.5 | -177 | 0 | 0 | 0 | 0 | 0 | 111.9 | P101 Y137 F151 H158 P162 | P101-A160 VanDerWaalsContact CD-O 3.3Å; P101-A160 WeakPolarHBondContact CD-O 3.41Å; Y137-A160 HydrophobicContact CE1-CB 3.89Å; Y137-A160 WeakPolarHBondContact OH-CB 3.47Å; F151-A160 HydrophobicContact CD2-CB 3.95Å; F151-A160 HydrophobicContact CE2-CB 3.71Å; H158-A160 PolarHBondContact O-N 3.01Å; A160-P162 WeakPolarHBondContact O-CD 3.47Å |
| 161 | V | 98.7 | Very high | 98.4 | Very high | 9 Ų | 9 | 37 Ų | 37 | 6% | 0.055 | 19% | 0.19 | C | C | . | . | trans | -90.4 | 108.6 | 173 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | Y72 P101 F151 E152 I154 | Y72-V161 HydrophobicContact CD1-CG1 4.07Å; Y72-V161 HydrophobicContact CD2-CG2 4.18Å; Y72-V161 HydrophobicContact CE1-CG1 3.46Å; Y72-V161 VanDerWaalsContact CE1-CG1 3.46Å; Y72-V161 HydrophobicContact CE1-CG2 4.46Å; Y72-V161 HydrophobicContact CE2-CG1 4.27Å; Y72-V161 HydrophobicContact CE2-CG2 3.8Å; P101-V161 HydrophobicContact CB-CB 4.26Å; P101-V161 HydrophobicContact CB-CG1 4.22Å; P101-V161 HydrophobicContact CB-CG2 3.82Å; P101-V161 HydrophobicContact CG-CG2 4.09Å; F151-V161 WeakPolarHBondContact CB-O 3.42Å; E152-V161 HydrophobicContact CB-CB 4.12Å; E152-V161 HydrophobicContact CB-CG2 3.9Å; E152-V161 HydrophobicContact CG-CG2 4.13Å; E152-V161 WeakPolarHBondContact O-CB 3.36Å; E152-V161 WeakPolarHBondContact O-CG2 3.38Å; E152-V161 PolarHBondContact O-N 3.2Å; I154-V161 HydrophobicContact CG2-CG2 3.76Å | ||
| 162 | P | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | trans | -62.2 | 145.4 | -178.3 | -25.2 | 38 | 0 | 0 | 0 | 112.1 | A100 P135 Y137 A160 H164 F165 N187 | A100-P162 HydrophobicContact CB-CG 4.17Å; P135-P162 HydrophobicContact CB-CB 3.54Å; P135-P162 HydrophobicContact CB-CG 3.34Å; P135-P162 HydrophobicContact CG-CG 4.49Å; Y137-P162 HydrophobicContact CE1-CB 4.26Å; Y137-P162 HydrophobicContact CE1-CG 4.35Å; A160-P162 WeakPolarHBondContact O-CD 3.47Å; P162-H164 WeakPolarHBondContact CB-O 3.32Å; P162-F165 HydrophobicContact CB-CE1 4.12Å; P162-F165 HydrophobicContact CB-CE2 4Å; P162-F165 HydrophobicContact CB-CZ 3.74Å; P162-F165 HydrophobicContact CG-CE1 3.81Å; P162-F165 HydrophobicContact CG-CE2 4.23Å; P162-F165 HydrophobicContact CG-CZ 3.5Å; P162-N187 WeakPolarHBondContact O-CB 3.34Å; P162-N187 PolarHBondContact O-ND2 2.9Å | ||
| 163 | T | 98.7 | Very high | 98.3 | Very high | 30 Ų | 30 | 29.4 Ų | 29.4 | 18% | 0.184 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -76.6 | -32.5 | 175.1 | 70.1 | 0 | 0 | 0 | 0 | 110.9 | L136 L138 F151 N187 | L136-T163 PolarHBondContact O-N 3.32Å; L136-T163 PolarHBondContact O-OG1 3.41Å; L138-T163 PolarHBondContact N-OG1 2.98Å; F151-T163 HydrophobicContact CB-CG2 4.23Å; T163-N187 WeakPolarHBondContact O-CB 3.32Å; T163-N187 PolarHBondContact O-N 2.93Å |
| 164 | H | 98.8 | Very high | 98.1 | Very high | 49 Ų | 49 | 30.3 Ų | 30.3 | 23% | 0.227 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 167 | 178.5 | -61.8 | 69.4 | 0 | 0 | 0 | 110.3 | L136 L138 P162 V184 L185 P186 | L136-H164 HydrophobicContact CB-CB 4.12Å; L136-H164 PolarHBondContact N-O 2.96Å; L136-H164 PolarHBondContact O-N 3.26Å; L136-H164 VanDerWaalsContact O-N 3.15Å; L138-H164 HydrophobicContact CD1-CB 4.22Å; L138-H164 HydrophobicContact CG-CB 4.47Å; P162-H164 WeakPolarHBondContact CB-O 3.32Å; H164-V184 HydrophobicContact CB-CG1 4.07Å; H164-L185 CarbonylContact C-O 3.52Å; H164-L185 WeakPolarHBondContact CA-O 3.47Å; H164-L185 VanDerWaalsContact CB-O 3.3Å; H164-L185 WeakPolarHBondContact CB-O 3.5Å; H164-P186 WeakPolarHBondContact CD2-CA 3.47Å |
| 165 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 146.3 | 167.6 | -68.5 | -89.5 | 0 | 0 | 0 | 109.7 | L77 A100 Q102 F107 W112 G134 P135 P162 V184 L185 N187 | L77-F165 HydrophobicContact CD2-CD1 3.81Å; L77-F165 HydrophobicContact CD2-CE1 3.77Å; A100-F165 HydrophobicContact CB-CE1 3.47Å; A100-F165 VanDerWaalsContact CB-CE1 3.47Å; A100-F165 HydrophobicContact CB-CZ 3.64Å; Q102-F165 HydrophobicContact CG-CD2 4.39Å; Q102-F165 HydrophobicContact CG-CE1 4.24Å; Q102-F165 HydrophobicContact CG-CE2 3.56Å; Q102-F165 HydrophobicContact CG-CZ 3.46Å; Q102-F165 VanDerWaalsContact CG-CZ 3.46Å; F107-F165 AromaticContact CE1-CD2 3.6Å; F107-F165 HydrophobicContact CE1-CD2 3.6Å; F107-F165 AromaticContact CE1-CE2 3.88Å; F107-F165 HydrophobicContact CE1-CE2 3.88Å; F107-F165 HydrophobicContact CZ-CB 4.38Å; F107-F165 AromaticContact CZ-CD2 3.59Å; F107-F165 HydrophobicContact CZ-CD2 3.59Å; F107-F165 HydrophobicContact CZ-CE2 4.33Å; F107-F165 HydrophobicContact CZ-CG 4.32Å; W112-F165 HydrophobicContact CE3-CB 4.3Å; W112-F165 HydrophobicContact CH2-CB 3.53Å; W112-F165 HydrophobicContact CH2-CG 4.45Å; W112-F165 HydrophobicContact CZ2-CB 4.23Å; W112-F165 HydrophobicContact CZ3-CB 3.57Å; G134-F165 WeakPolarHBondContact O-CA 3.4Å; P135-F165 HydrophobicContact CB-CD1 4.36Å; P135-F165 HydrophobicContact CB-CE1 4.14Å; P162-F165 HydrophobicContact CB-CE1 4.12Å; P162-F165 HydrophobicContact CB-CE2 4Å; P162-F165 HydrophobicContact CB-CZ 3.74Å; P162-F165 HydrophobicContact CG-CE1 3.81Å; P162-F165 HydrophobicContact CG-CE2 4.23Å; P162-F165 HydrophobicContact CG-CZ 3.5Å; F165-V184 WeakPolarHBondContact O-CA 3.43Å; F165-L185 PolarHBondContact N-O 3.24Å; F165-L185 PolarHBondContact O-N 3.37Å; F165-N187 HydrophobicContact CD2-CB 4.16Å; F165-N187 HydrophobicContact CE2-CB 3.88Å |
| 166 | F | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 154.6 | 172.2 | 76.3 | -95.9 | 0 | 0 | 0 | 111.5 | W27 C132 T133 G134 L136 V168 Y183 V184 I206 A210 F212 I214 | W27-F166 HydrophobicContact CB-CZ 4.34Å; C132-F166 HydrophobicContact CB-CE2 4.3Å; T133-F166 WeakPolarHBondContact CA-O 3.25Å; T133-F166 WeakPolarHBondContact CG2-O 3.3Å; G134-F166 PolarHBondContact N-O 3.32Å; G134-F166 WeakPolarHBondContact O-CD1 3.44Å; G134-F166 PolarHBondContact O-N 3.1Å; L136-F166 HydrophobicContact CD1-CB 4.08Å; L136-F166 HydrophobicContact CD1-CD1 4.36Å; L136-F166 HydrophobicContact CD2-CD1 3.87Å; L136-F166 HydrophobicContact CD2-CE1 4.42Å; L136-F166 HydrophobicContact CG-CB 4.46Å; L136-F166 HydrophobicContact CG-CD1 3.88Å; F166-V168 HydrophobicContact CD2-CG2 4.02Å; F166-V168 HydrophobicContact CE2-CG2 4.47Å; F166-Y183 CarbonylContact C-O 3.58Å; F166-Y183 WeakPolarHBondContact CA-O 3.44Å; F166-Y183 WeakPolarHBondContact CB-O 3.46Å; F166-V184 HydrophobicContact CB-CG2 4.31Å; F166-I206 HydrophobicContact CB-CD1 4.2Å; F166-I206 HydrophobicContact CB-CG1 4.4Å; F166-I206 HydrophobicContact CB-CG2 3.83Å; F166-I206 HydrophobicContact CD1-CG2 4.01Å; F166-I206 HydrophobicContact CD2-CG2 3.81Å; F166-I206 HydrophobicContact CE2-CG2 4.38Å; F166-I206 HydrophobicContact CG-CG2 3.6Å; F166-A210 HydrophobicContact CE1-CB 4.38Å; F166-F212 HydrophobicContact CE1-CE2 4.19Å; F166-F212 AromaticContact CE1-CZ 3.8Å; F166-F212 HydrophobicContact CE1-CZ 3.8Å; F166-F212 AromaticContact CZ-CE2 3.73Å; F166-F212 HydrophobicContact CZ-CE2 3.73Å; F166-F212 AromaticContact CZ-CZ 3.68Å; F166-F212 HydrophobicContact CZ-CZ 3.68Å; F166-I214 HydrophobicContact CD2-CD1 4.43Å; F166-I214 HydrophobicContact CE2-CD1 3.9Å; F166-I214 HydrophobicContact CZ-CD1 4.38Å |
| 167 | K | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 124.6 | 164.7 | -166.3 | 172.9 | -68 | -76.4 | 0 | 109.1 | W112 L115 V119 V131 C132 T133 Y183 | W112-K167 HydrophobicContact CH2-CB 4.24Å; L115-K167 HydrophobicContact CD2-CB 3.95Å; L115-K167 HydrophobicContact CD2-CD 4.21Å; L115-K167 HydrophobicContact CG-CD 4.12Å; V119-K167 HydrophobicContact CG2-CD 3.79Å; V131-K167 HydrophobicContact CG1-CD 3.93Å; V131-K167 HydrophobicContact CG1-CG 3.61Å; C132-K167 CarbonylContact O-C 3.49Å; C132-K167 WeakPolarHBondContact O-CA 3.36Å; T133-K167 PolarHBondContact OG1-NZ 2.78Å; K167-Y183 PolarHBondContact N-O 3.32Å; K167-Y183 PolarHBondContact O-N 3.38Å |
| 168 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 117.8 | 176.1 | -172 | 0 | 0 | 0 | 0 | 108.4 | V131 C132 F166 L180 E181 L203 I206 I214 F215 | V131-V168 CarbonylContact C-O 3.47Å; V131-V168 WeakPolarHBondContact CA-O 3.46Å; C132-V168 HydrophobicContact CB-CB 4.47Å; C132-V168 PolarHBondContact N-O 3.31Å; C132-V168 PolarHBondContact O-N 3.47Å; F166-V168 HydrophobicContact CD2-CG2 4.02Å; F166-V168 HydrophobicContact CE2-CG2 4.47Å; V168-L180 HydrophobicContact CG1-CD1 3.85Å; V168-L180 HydrophobicContact CG1-CD2 3.96Å; V168-L180 HydrophobicContact CG1-CG 3.95Å; V168-E181 CarbonylContact C-O 3.6Å; V168-E181 WeakPolarHBondContact CA-O 3.47Å; V168-L203 HydrophobicContact CB-CD1 4.46Å; V168-L203 HydrophobicContact CG1-CD1 3.72Å; V168-L203 HydrophobicContact CG2-CD1 3.91Å; V168-I206 HydrophobicContact CG2-CD1 3.75Å; V168-I206 HydrophobicContact CG2-CG2 4.47Å; V168-I214 HydrophobicContact CB-CG2 4.2Å; V168-I214 HydrophobicContact CG1-CG2 4.18Å; V168-I214 HydrophobicContact CG2-CD1 3.82Å; V168-F215 HydrophobicContact CB-CE2 4.3Å; V168-F215 HydrophobicContact CG1-CD2 4.22Å; V168-F215 HydrophobicContact CG1-CE2 3.72Å |
| 169 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 118.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110 | V119 V129 Y130 L180 E181 | V119-A169 HydrophobicContact CG2-CB 4.46Å; V129-A169 HydrophobicContact CG1-CB 4.36Å; Y130-A169 CarbonylContact O-C 3.58Å; Y130-A169 WeakPolarHBondContact O-CA 3.18Å; A169-L180 WeakPolarHBondContact O-CA 3.47Å; A169-E181 PolarHBondContact N-O 3.02Å; A169-E181 PolarHBondContact O-N 3.05Å |
| 170 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 120.8 | 169.5 | 172.7 | 67 | 0 | 0 | 0 | 108.9 | F3 V129 Y130 W178 F215 L218 L223 | F3-L170 HydrophobicContact CD2-CD2 3.49Å; F3-L170 VanDerWaalsContact CD2-CD2 3.49Å; F3-L170 HydrophobicContact CE2-CD2 3.69Å; F3-L170 HydrophobicContact CG-CD2 3.99Å; F3-L170 HydrophobicContact CZ-CD2 4.37Å; V129-L170 CarbonylContact C-O 3.59Å; V129-L170 WeakPolarHBondContact CA-O 3.42Å; Y130-L170 PolarHBondContact N-O 2.78Å; Y130-L170 PolarHBondContact O-N 3.14Å; L170-W178 HydrophobicContact CD1-CB 4.42Å; L170-W178 HydrophobicContact CD1-CE3 3.71Å; L170-W178 HydrophobicContact CD1-CZ3 4.41Å; L170-W178 HydrophobicContact CD2-CE3 4.01Å; L170-W178 HydrophobicContact CD2-CZ3 3.94Å; L170-W178 HydrophobicContact CG-CE3 3.64Å; L170-W178 HydrophobicContact CG-CZ3 3.84Å; L170-F215 HydrophobicContact CB-CD2 3.64Å; L170-F215 HydrophobicContact CB-CE1 4.42Å; L170-F215 HydrophobicContact CB-CE2 3.41Å; L170-F215 VanDerWaalsContact CB-CE2 3.41Å; L170-F215 HydrophobicContact CB-CG 4.25Å; L170-F215 HydrophobicContact CB-CZ 3.85Å; L170-F215 HydrophobicContact CD2-CB 4.23Å; L170-F215 HydrophobicContact CD2-CD1 4.24Å; L170-F215 HydrophobicContact CD2-CD2 4.13Å; L170-F215 HydrophobicContact CD2-CG 3.94Å; L170-F215 HydrophobicContact CG-CD2 4.42Å; L170-L218 HydrophobicContact CD1-CD2 3.44Å; L170-L218 VanDerWaalsContact CD1-CD2 3.44Å; L170-L218 HydrophobicContact CD2-CD2 3.81Å; L170-L218 HydrophobicContact CG-CD2 4.26Å; L170-L223 HydrophobicContact CD1-CD2 3.7Å |
| 171 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127.6 | -169.4 | -176 | 0 | 0 | 0 | 0 | 110.6 | L122 N126 V129 W178 F179 | L122-V171 HydrophobicContact CD1-CG2 4.15Å; N126-V171 HydrophobicContact CB-CG1 3.43Å; N126-V171 VanDerWaalsContact CB-CG1 3.43Å; V129-V171 HydrophobicContact CG1-CG2 4.21Å; V129-V171 HydrophobicContact CG2-CB 4.43Å; V129-V171 HydrophobicContact CG2-CG1 3.99Å; V129-V171 HydrophobicContact CG2-CG2 4.11Å; V171-W178 CarbonylContact O-C 3.57Å; V171-W178 VanDerWaalsContact O-CA 3.25Å; V171-W178 WeakPolarHBondContact O-CA 3.46Å; V171-F179 HydrophobicContact CB-CD1 3.92Å; V171-F179 HydrophobicContact CB-CD2 4.06Å; V171-F179 HydrophobicContact CB-CE1 3.54Å; V171-F179 HydrophobicContact CB-CE2 3.7Å; V171-F179 HydrophobicContact CB-CG 4.18Å; V171-F179 HydrophobicContact CB-CZ 3.43Å; V171-F179 VanDerWaalsContact CB-CZ 3.43Å; V171-F179 HydrophobicContact CG1-CD1 4.11Å; V171-F179 HydrophobicContact CG1-CE1 3.31Å; V171-F179 HydrophobicContact CG1-CE2 4.12Å; V171-F179 HydrophobicContact CG1-CZ 3.33Å; V171-F179 HydrophobicContact CG2-CD2 4.18Å; V171-F179 HydrophobicContact CG2-CE1 4.33Å; V171-F179 HydrophobicContact CG2-CE2 3.6Å; V171-F179 HydrophobicContact CG2-CZ 3.7Å; V171-F179 PolarHBondContact N-O 2.8Å; V171-F179 PolarHBondContact O-N 3.01Å |
| 172 | E | 98 | Very high | 97.4 | Very high | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 114.6 | 170.2 | -166.6 | -179.9 | 167.1 | 0 | 0 | 109.4 | N126 K127 N128 R177 W178 | N126-E172 WeakPolarHBondContact CB-O 3.42Å; K127-E172 WeakPolarHBondContact CB-O 3.41Å; K127-E172 HydrophobicContact CD-CG 4.31Å; K127-E172 WeakPolarHBondContact CD-OE1 3.18Å; K127-E172 WeakPolarHBondContact CE-OE1 3.48Å; K127-E172 PolarHBondContact N-O 2.69Å; K127-E172 IonicContact NZ-OE1 2.79Å; K127-E172 PolarHBondContact NZ-OE1 2.88Å; N128-E172 HydrophobicContact CB-CB 3.98Å; N128-E172 PolarHBondContact N-O 3.27Å; N128-E172 PolarHBondContact ND2-OE2 3.34Å; N128-E172 PolarHBondContact O-N 3.15Å; E172-R177 CarbonylContact C-O 3.53Å; E172-R177 WeakPolarHBondContact CA-O 3.38Å; E172-W178 HydrophobicContact CB-CD2 4.12Å; E172-W178 HydrophobicContact CB-CE3 3.86Å; E172-W178 HydrophobicContact CB-CH2 3.54Å; E172-W178 HydrophobicContact CB-CZ2 3.8Å; E172-W178 HydrophobicContact CB-CZ3 3.6Å; E172-W178 HydrophobicContact CG-CD2 4.2Å; E172-W178 HydrophobicContact CG-CE3 4.42Å; E172-W178 HydrophobicContact CG-CH2 3.8Å; E172-W178 HydrophobicContact CG-CZ2 3.5Å; E172-W178 HydrophobicContact CG-CZ3 4.27Å; E172-W178 VanDerWaalsContact OE2-CH2 3.23Å; E172-W178 WeakPolarHBondContact OE2-CH2 3.46Å; E172-W178 VanDerWaalsContact OE2-CZ2 3.28Å; E172-W178 WeakPolarHBondContact OE2-CZ2 3.34Å |
| 173 | T | 96.4 | Very high | 97.4 | Very high | 19 Ų | 19 | 26 Ų | 26 | 12% | 0.117 | 14% | 0.142 | C | C | . | . | trans | -68.8 | 168 | 175.4 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | D175 S176 R177 F179 | T173-D175 VanDerWaalsContact CB-OD1 3.24Å; T173-D175 WeakPolarHBondContact CB-OD1 3.47Å; T173-D175 PolarHBondContact O-N 3.31Å; T173-D175 PolarHBondContact OG1-OD1 3.13Å; T173-S176 PolarHBondContact O-N 3.43Å; T173-R177 PolarHBondContact N-O 2.76Å; T173-R177 WeakPolarHBondContact OG1-CA 3.29Å; T173-R177 WeakPolarHBondContact OG1-CB 3.44Å; T173-R177 PolarHBondContact OG1-N 2.96Å; T173-R177 PolarHBondContact OG1-O 2.94Å; T173-F179 HydrophobicContact CG2-CD1 3.96Å; T173-F179 HydrophobicContact CG2-CE1 3.84Å | ||
| 174 | A | 93.4 | Very high | 97.5 | Very high | 87 Ų | 87 | 25.9 Ų | 25.9 | 72% | 0.719 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -34.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S176 | A174-S176 PolarHBondContact O-N 2.92Š|
| 175 | D | 93.3 | Very high | 97.5 | Very high | 89 Ų | 89 | 23.5 Ų | 23.5 | 48% | 0.476 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 17.4 | 175.1 | 61.7 | -8.4 | 0 | 0 | 0 | 113.5 | T173 R177 | T173-D175 VanDerWaalsContact CB-OD1 3.24Å; T173-D175 WeakPolarHBondContact CB-OD1 3.47Å; T173-D175 PolarHBondContact O-N 3.31Å; T173-D175 PolarHBondContact OG1-OD1 3.13Å; D175-R177 VanDerWaalsContact C-N 3.28Å; D175-R177 VanDerWaalsContact CG-NE 3.29Å; D175-R177 PolarHBondContact O-N 3.17Å; D175-R177 IonicContact OD1-CZ 3.58Å; D175-R177 IonicContact OD1-NE 3.03Å; D175-R177 PolarHBondContact OD1-NE 3.03Å; D175-R177 IonicContact OD1-NH2 2.69Å; D175-R177 IonicContact OD2-CZ 3.8Å; D175-R177 IonicContact OD2-NE 3.81Å; D175-R177 PolarHBondContact OD2-NE 3.33Å; D175-R177 IonicContact OD2-NH2 3.78Å; D175-R177 PolarHBondContact OD2-NH2 3.41Å |
| 176 | S | 92.6 | Very high | 97.4 | Very high | 59 Ų | 59 | 24.4 Ų | 24.4 | 41% | 0.413 | 14% | 0.136 | S | C | . | . | S | Bend | trans | 61.5 | 28.8 | 174 | -49.3 | 0 | 0 | 0 | 0 | 114.9 | K127 T173 A174 | K127-S176 PolarHBondContact NZ-OG 3.08Å; T173-S176 PolarHBondContact O-N 3.43Å; A174-S176 PolarHBondContact O-N 2.92Å |
| 177 | R | 94.4 | Very high | 97.4 | Very high | 127 Ų | 127 | 25.2 Ų | 25.2 | 48% | 0.479 | 14% | 0.141 | S | C | . | . | trans | -90.4 | 156.8 | 166.2 | -60.9 | -178.1 | -69.5 | 162.1 | -9.8 | 110.1 | E172 T173 D175 I224 | E172-R177 CarbonylContact C-O 3.53Å; E172-R177 WeakPolarHBondContact CA-O 3.38Å; T173-R177 PolarHBondContact N-O 2.76Å; T173-R177 WeakPolarHBondContact OG1-CA 3.29Å; T173-R177 WeakPolarHBondContact OG1-CB 3.44Å; T173-R177 PolarHBondContact OG1-N 2.96Å; T173-R177 PolarHBondContact OG1-O 2.94Å; D175-R177 VanDerWaalsContact C-N 3.28Å; D175-R177 VanDerWaalsContact CG-NE 3.29Å; D175-R177 PolarHBondContact O-N 3.17Å; D175-R177 IonicContact OD1-CZ 3.58Å; D175-R177 IonicContact OD1-NE 3.03Å; D175-R177 PolarHBondContact OD1-NE 3.03Å; D175-R177 IonicContact OD1-NH2 2.69Å; D175-R177 IonicContact OD2-CZ 3.8Å; D175-R177 IonicContact OD2-NE 3.81Å; D175-R177 PolarHBondContact OD2-NE 3.33Å; D175-R177 IonicContact OD2-NH2 3.78Å; D175-R177 PolarHBondContact OD2-NH2 3.41Å; R177-I224 HydrophobicContact CB-CD1 3.89Å; R177-I224 HydrophobicContact CB-CG1 4.37Å; R177-I224 HydrophobicContact CB-CG2 3.94Å; R177-I224 HydrophobicContact CG-CG2 4.28Å | ||
| 178 | W | 97.3 | Very high | 97.4 | Very high | 23 Ų | 23 | 32.9 Ų | 32.9 | 9% | 0.087 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 134.6 | -173.8 | -62.4 | 82.5 | 0 | 0 | 0 | 112.2 | F3 Y130 L170 V171 E172 L218 C222 L223 I224 | F3-W178 HydrophobicContact CE1-CH2 4.47Å; F3-W178 AromaticContact CE2-CH2 3.59Å; F3-W178 HydrophobicContact CE2-CH2 3.59Å; F3-W178 AromaticContact CE2-CZ3 3.68Å; F3-W178 HydrophobicContact CE2-CZ3 3.68Å; F3-W178 AromaticContact CZ-CH2 3.3Å; F3-W178 HydrophobicContact CZ-CH2 3.3Å; F3-W178 AromaticContact CZ-CZ2 3.81Å; F3-W178 HydrophobicContact CZ-CZ2 3.81Å; F3-W178 AromaticContact CZ-CZ3 3.75Å; F3-W178 HydrophobicContact CZ-CZ3 3.75Å; Y130-W178 HydrophobicContact CD2-CZ3 4.1Å; Y130-W178 AromaticContact CE2-CH2 3.92Å; Y130-W178 HydrophobicContact CE2-CH2 3.92Å; Y130-W178 AromaticContact CE2-CZ3 3.96Å; Y130-W178 HydrophobicContact CE2-CZ3 3.96Å; L170-W178 HydrophobicContact CD1-CB 4.42Å; L170-W178 HydrophobicContact CD1-CE3 3.71Å; L170-W178 HydrophobicContact CD1-CZ3 4.41Å; L170-W178 HydrophobicContact CD2-CE3 4.01Å; L170-W178 HydrophobicContact CD2-CZ3 3.94Å; L170-W178 HydrophobicContact CG-CE3 3.64Å; L170-W178 HydrophobicContact CG-CZ3 3.84Å; V171-W178 CarbonylContact O-C 3.57Å; V171-W178 VanDerWaalsContact O-CA 3.25Å; V171-W178 WeakPolarHBondContact O-CA 3.46Å; E172-W178 HydrophobicContact CB-CD2 4.12Å; E172-W178 HydrophobicContact CB-CE3 3.86Å; E172-W178 HydrophobicContact CB-CH2 3.54Å; E172-W178 HydrophobicContact CB-CZ2 3.8Å; E172-W178 HydrophobicContact CB-CZ3 3.6Å; E172-W178 HydrophobicContact CG-CD2 4.2Å; E172-W178 HydrophobicContact CG-CE3 4.42Å; E172-W178 HydrophobicContact CG-CH2 3.8Å; E172-W178 HydrophobicContact CG-CZ2 3.5Å; E172-W178 HydrophobicContact CG-CZ3 4.27Å; E172-W178 VanDerWaalsContact OE2-CH2 3.23Å; E172-W178 WeakPolarHBondContact OE2-CH2 3.46Å; E172-W178 VanDerWaalsContact OE2-CZ2 3.28Å; E172-W178 WeakPolarHBondContact OE2-CZ2 3.34Å; W178-L218 HydrophobicContact CD2-CD1 4.29Å; W178-L218 HydrophobicContact CG-CD1 4.47Å; W178-C222 WeakPolarHBondContact CB-O 3.45Å; W178-L223 HydrophobicContact CB-CD2 3.96Å; W178-L223 CarbonylContact O-C 3.56Å; W178-L223 VanDerWaalsContact O-CA 3.26Å; W178-L223 WeakPolarHBondContact O-CA 3.35Å; W178-I224 VanDerWaalsContact O-CG1 3.26Å; W178-I224 WeakPolarHBondContact O-CG1 3.46Å; W178-I224 PolarHBondContact O-N 3.13Å |
| 179 | F | 97.9 | Very high | 97.4 | Very high | 28 Ų | 28 | 37.1 Ų | 37.1 | 12% | 0.123 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 159.5 | 166.4 | 67.1 | -90.2 | 0 | 0 | 0 | 110.8 | L122 V171 T173 E181 I224 S225 | L122-F179 HydrophobicContact CD2-CE2 4.41Å; L122-F179 HydrophobicContact CD2-CZ 4.17Å; V171-F179 HydrophobicContact CB-CD1 3.92Å; V171-F179 HydrophobicContact CB-CD2 4.06Å; V171-F179 HydrophobicContact CB-CE1 3.54Å; V171-F179 HydrophobicContact CB-CE2 3.7Å; V171-F179 HydrophobicContact CB-CG 4.18Å; V171-F179 HydrophobicContact CB-CZ 3.43Å; V171-F179 VanDerWaalsContact CB-CZ 3.43Å; V171-F179 HydrophobicContact CG1-CD1 4.11Å; V171-F179 HydrophobicContact CG1-CE1 3.31Å; V171-F179 HydrophobicContact CG1-CE2 4.12Å; V171-F179 HydrophobicContact CG1-CZ 3.33Å; V171-F179 HydrophobicContact CG2-CD2 4.18Å; V171-F179 HydrophobicContact CG2-CE1 4.33Å; V171-F179 HydrophobicContact CG2-CE2 3.6Å; V171-F179 HydrophobicContact CG2-CZ 3.7Å; V171-F179 PolarHBondContact N-O 2.8Å; V171-F179 PolarHBondContact O-N 3.01Å; T173-F179 HydrophobicContact CG2-CD1 3.96Å; T173-F179 HydrophobicContact CG2-CE1 3.84Å; F179-E181 HydrophobicContact CD2-CG 4.3Å; F179-E181 HydrophobicContact CE2-CG 4.26Å; F179-I224 HydrophobicContact CB-CG1 4.33Å; F179-S225 WeakPolarHBondContact CA-O 3.4Å; F179-S225 VanDerWaalsContact CB-OG 3.27Å; F179-S225 WeakPolarHBondContact CB-OG 3.44Å |
| 180 | L | 98.1 | Very high | 97.4 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.5 | -177.9 | -173.8 | 142.4 | 0 | 0 | 0 | 110.8 | V168 A169 L203 F215 L223 S225 I226 N227 | V168-L180 HydrophobicContact CG1-CD1 3.85Å; V168-L180 HydrophobicContact CG1-CD2 3.96Å; V168-L180 HydrophobicContact CG1-CG 3.95Å; A169-L180 WeakPolarHBondContact O-CA 3.47Å; L180-L203 HydrophobicContact CD1-CD2 3.96Å; L180-L203 HydrophobicContact CD2-CB 4.41Å; L180-F215 HydrophobicContact CD1-CD2 3.98Å; L180-F215 HydrophobicContact CD1-CE2 4.45Å; L180-L223 HydrophobicContact CB-CD2 4.1Å; L180-S225 PolarHBondContact N-O 3.11Å; L180-I226 HydrophobicContact CD2-CG2 3.97Å; L180-I226 CarbonylContact O-C 3.49Å; L180-I226 WeakPolarHBondContact O-CA 3.47Å; L180-N227 PolarHBondContact O-N 2.89Å |
| 181 | E | 98.7 | Very high | 97.3 | Very high | 20 Ų | 20 | 43.2 Ų | 43.2 | 9% | 0.093 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126.8 | 169.3 | -66.3 | -177.1 | 174.5 | 0 | 0 | 109.3 | H118 L122 V168 A169 F179 Y183 Y200 N227 | H118-E181 IonicContact CD2-OE2 3.75Å; H118-E181 IonicContact CE1-OE2 2.83Å; H118-E181 IonicContact NE2-OE1 3.72Å; H118-E181 IonicContact NE2-OE2 3.82Å; H118-E181 PolarHBondContact NE2-OE2 3.24Å; L122-E181 WeakPolarHBondContact CD1-OE2 3.49Å; V168-E181 CarbonylContact C-O 3.6Å; V168-E181 WeakPolarHBondContact CA-O 3.47Å; A169-E181 PolarHBondContact N-O 3.02Å; A169-E181 PolarHBondContact O-N 3.05Å; F179-E181 HydrophobicContact CD2-CG 4.3Å; F179-E181 HydrophobicContact CE2-CG 4.26Å; E181-Y183 HydrophobicContact CB-CE2 3.7Å; E181-Y183 PolarHBondContact OE2-OH 2.89Å; E181-Y200 HydrophobicContact CB-CE1 4.17Å; E181-Y200 HydrophobicContact CG-CE1 4.26Å; E181-N227 WeakPolarHBondContact CA-OD1 3.43Å |
| 182 | S | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 123.2 | -177.2 | 44.7 | 0 | 0 | 0 | 0 | 110.9 | Y200 A201 N227 | S182-Y200 WeakPolarHBondContact O-CA 3.49Å; S182-A201 WeakPolarHBondContact CB-O 3.2Å; S182-A201 PolarHBondContact O-N 2.77Å; S182-A201 PolarHBondContact OG-O 3.21Å; S182-N227 PolarHBondContact N-OD1 3.36Å; S182-N227 PolarHBondContact OG-ND2 2.87Å; S182-N227 VanDerWaalsContact OG-ND2 3.15Å; S182-N227 PolarHBondContact OG-OD1 3.19Å |
| 183 | Y | 98.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143.9 | -174.2 | -59.5 | -89.2 | 0 | 0 | 0 | 111.6 | L115 H118 F166 K167 E181 L196 F199 Y200 | L115-Y183 HydrophobicContact CD1-CD1 4.09Å; L115-Y183 HydrophobicContact CD1-CD2 3.58Å; L115-Y183 HydrophobicContact CD1-CE1 4.11Å; L115-Y183 HydrophobicContact CD1-CE2 3.58Å; L115-Y183 HydrophobicContact CD1-CG 3.81Å; L115-Y183 HydrophobicContact CD2-CD2 4.4Å; L115-Y183 HydrophobicContact CD2-CG 4.19Å; H118-Y183 PolarHBondContact CD2-OH 2.73Å; H118-Y183 PolarHBondContact NE2-OH 2.89Å; F166-Y183 CarbonylContact C-O 3.58Å; F166-Y183 WeakPolarHBondContact CA-O 3.44Å; F166-Y183 WeakPolarHBondContact CB-O 3.46Å; K167-Y183 PolarHBondContact N-O 3.32Å; K167-Y183 PolarHBondContact O-N 3.38Å; E181-Y183 HydrophobicContact CB-CE2 3.7Å; E181-Y183 PolarHBondContact OE2-OH 2.89Å; Y183-L196 HydrophobicContact CE1-CB 4.17Å; Y183-L196 WeakPolarHBondContact CE1-O 3.37Å; Y183-F199 VanDerWaalsContact CA-O 3.29Å; Y183-F199 WeakPolarHBondContact CA-O 3.29Å; Y183-F199 HydrophobicContact CD1-CB 4.32Å; Y183-Y200 AromaticContact CD1-CD1 3.83Å; Y183-Y200 HydrophobicContact CD1-CD1 3.83Å; Y183-Y200 HydrophobicContact CD1-CE1 4.11Å; Y183-Y200 AromaticContact CE1-CD1 3.48Å; Y183-Y200 HydrophobicContact CE1-CD1 3.48Å; Y183-Y200 VanDerWaalsContact CE1-CD1 3.48Å; Y183-Y200 AromaticContact CE1-CE1 3.31Å; Y183-Y200 HydrophobicContact CE1-CE1 3.31Å; Y183-Y200 HydrophobicContact CE2-CE1 4.08Å; Y183-Y200 HydrophobicContact CG-CD1 4.49Å; Y183-Y200 AromaticContact CZ-CD1 3.9Å; Y183-Y200 AromaticContact CZ-CE1 3.31Å; Y183-Y200 VanDerWaalsContact OH-CE1 3.31Å; Y183-Y200 WeakPolarHBondContact OH-CE1 3.27Å |
| 184 | V | 98.9 | Very high | 97.2 | Very high | 28 Ų | 28 | 54.8 Ų | 54.8 | 17% | 0.17 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 121.1 | 166.7 | 175.9 | 0 | 0 | 0 | 0 | 109 | L136 L138 H164 F165 F166 F199 A201 I206 | L136-V184 HydrophobicContact CD1-CG1 4.06Å; L136-V184 HydrophobicContact CD1-CG2 4.09Å; L138-V184 HydrophobicContact CD1-CG1 4.43Å; H164-V184 HydrophobicContact CB-CG1 4.07Å; F165-V184 WeakPolarHBondContact O-CA 3.43Å; F166-V184 HydrophobicContact CB-CG2 4.31Å; V184-F199 PolarHBondContact N-O 3.47Å; V184-A201 HydrophobicContact CB-CB 4.11Å; V184-A201 HydrophobicContact CG2-CB 3.64Å; V184-I206 HydrophobicContact CG2-CD1 3.9Å; V184-I206 HydrophobicContact CG2-CG1 3.53Å |
| 185 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.8 | 179.4 | -70.1 | 78.7 | 0 | 0 | 0 | 110.6 | F107 K111 W112 L115 H164 F165 F199 | F107-L185 HydrophobicContact CE2-CB 3.79Å; F107-L185 HydrophobicContact CE2-CD2 4.28Å; F107-L185 HydrophobicContact CZ-CB 4.45Å; K111-L185 HydrophobicContact CG-CD2 3.88Å; W112-L185 HydrophobicContact CE3-CD2 4.31Å; W112-L185 HydrophobicContact CZ3-CD1 4.28Å; L115-L185 HydrophobicContact CD2-CD1 3.72Å; H164-L185 CarbonylContact C-O 3.52Å; H164-L185 WeakPolarHBondContact CA-O 3.47Å; H164-L185 VanDerWaalsContact CB-O 3.3Å; H164-L185 WeakPolarHBondContact CB-O 3.5Å; F165-L185 PolarHBondContact N-O 3.24Å; F165-L185 PolarHBondContact O-N 3.37Å; L185-F199 HydrophobicContact CD1-CB 3.89Å; L185-F199 HydrophobicContact CD1-CG 4.22Å; L185-F199 HydrophobicContact CD2-CD2 4.4Å; L185-F199 HydrophobicContact CD2-CG 4.41Å; L185-F199 HydrophobicContact CG-CB 4.01Å; L185-F199 HydrophobicContact CG-CD1 3.96Å; L185-F199 HydrophobicContact CG-CD2 4.27Å; L185-F199 HydrophobicContact CG-CG 3.8Å |
| 186 | P | 98.7 | Very high | 97.7 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 140.7 | 175.7 | 32.3 | -35.7 | 0 | 0 | 0 | 110.9 | F107 H164 R188 V190 | F107-P186 WeakPolarHBondContact CD2-O 3.46Å; F107-P186 VanDerWaalsContact CE2-O 3.31Å; F107-P186 WeakPolarHBondContact CE2-O 3.25Å; H164-P186 WeakPolarHBondContact CD2-CA 3.47Å; P186-R188 HydrophobicContact CB-CG 3.87Å; P186-R188 HydrophobicContact CG-CG 3.9Å; P186-R188 PolarHBondContact O-N 3.37Å; P186-V190 HydrophobicContact CG-CG2 4.29Å |
| 187 | N | 98.8 | Very high | 97.9 | Very high | 18 Ų | 18 | 55.6 Ų | 55.6 | 10% | 0.096 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -77.2 | 67 | 175.9 | -169.8 | 17.3 | 0 | 0 | 0 | 111 | P101 Q102 I103 P162 T163 F165 | P101-N187 PolarHBondContact O-ND2 3.22Å; Q102-N187 WeakPolarHBondContact CA-OD1 3.45Å; I103-N187 WeakPolarHBondContact CG1-O 3.37Å; I103-N187 PolarHBondContact N-OD1 2.82Å; P162-N187 WeakPolarHBondContact O-CB 3.34Å; P162-N187 PolarHBondContact O-ND2 2.9Å; T163-N187 WeakPolarHBondContact O-CB 3.32Å; T163-N187 PolarHBondContact O-N 2.93Å; F165-N187 HydrophobicContact CD2-CB 4.16Å; F165-N187 HydrophobicContact CE2-CB 3.88Å |
| 188 | R | 98.5 | Very high | 98.1 | Very high | 161 Ų | 161 | 53.1 Ų | 53.1 | 61% | 0.608 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -151.2 | 165.9 | -179.1 | 69 | -175.5 | 178.2 | 142.7 | -1.8 | 109.3 | F107 P186 V190 | F107-R188 WeakPolarHBondContact CB-O 2.84Å; P186-R188 HydrophobicContact CB-CG 3.87Å; P186-R188 HydrophobicContact CG-CG 3.9Å; P186-R188 PolarHBondContact O-N 3.37Å; R188-V190 WeakPolarHBondContact O-CG2 3.39Å; R188-V190 PolarHBondContact O-N 2.89Å; R188-V190 VanDerWaalsContact O-N 3.17Å |
| 189 | P | 98.5 | Very high | 98.1 | Very high | 90 Ų | 90 | 53.5 Ų | 53.5 | 58% | 0.584 | 28% | 0.284 | S | S | * | . | trans | -54.8 | 125.5 | 171.2 | -24.4 | 35.7 | 0 | 0 | 0 | 110.6 | I103 | I103-P189 HydrophobicContact CG2-CG 4.07Š| ||
| 190 | V | 98.3 | Very high | 98.2 | Very high | 17 Ų | 17 | 54.9 Ų | 54.9 | 10% | 0.103 | 29% | 0.288 | C | S | . | . | trans | -109.9 | 138.5 | 176.7 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | G106 F107 K111 P186 R188 R192 A194 F199 | G106-V190 PolarHBondContact O-N 3.49Å; F107-V190 HydrophobicContact CD2-CG2 4.24Å; K111-V190 HydrophobicContact CB-CB 4.02Å; K111-V190 HydrophobicContact CB-CG1 4.3Å; K111-V190 HydrophobicContact CD-CG1 4.49Å; K111-V190 HydrophobicContact CG-CB 4.08Å; K111-V190 HydrophobicContact CG-CG1 3.84Å; P186-V190 HydrophobicContact CG-CG2 4.29Å; R188-V190 WeakPolarHBondContact O-CG2 3.39Å; R188-V190 PolarHBondContact O-N 2.89Å; R188-V190 VanDerWaalsContact O-N 3.17Å; V190-R192 PolarHBondContact O-N 2.96Å; V190-A194 HydrophobicContact CG1-CB 4.46Å; V190-F199 HydrophobicContact CG1-CE1 4.19Å; V190-F199 HydrophobicContact CG1-CE2 4.15Å; V190-F199 HydrophobicContact CG1-CZ 3.43Å; V190-F199 VanDerWaalsContact CG1-CZ 3.43Å | ||
| 191 | D | 97.3 | Very high | 98.2 | Very high | 110 Ų | 110 | 55.4 Ų | 55.4 | 59% | 0.588 | 29% | 0.293 | S | S | * | . | trans | -57 | 129.4 | 174.7 | -175.6 | -0.4 | 0 | 0 | 0 | 110.4 | K111 A193 A194 | K111-D191 VanDerWaalsContact CE-O 3.27Å; K111-D191 WeakPolarHBondContact CE-O 3.3Å; D191-A193 PolarHBondContact O-N 2.9Å; D191-A193 PolarHBondContact OD1-N 3.37Å; D191-A194 HydrophobicContact CB-CB 4.44Å; D191-A194 WeakPolarHBondContact O-CB 3.42Å; D191-A194 PolarHBondContact O-N 2.69Å | ||
| 192 | R | 94.9 | Very high | 98.1 | Very high | 166 Ų | 166 | 57.8 Ų | 57.8 | 63% | 0.626 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -31.7 | 177.3 | -71.9 | -176.5 | 173.2 | -172.1 | -1.7 | 111.5 | D110 K111 V190 A194 | D110-R192 IonicContact OD1-CZ 3.34Å; D110-R192 IonicContact OD1-NE 3.4Å; D110-R192 PolarHBondContact OD1-NE 2.82Å; D110-R192 IonicContact OD1-NH2 2.69Å; D110-R192 PolarHBondContact OD1-NH2 2.89Å; D110-R192 IonicContact OD2-NH2 3.58Å; K111-R192 PolarHBondContact NZ-O 2.87Å; V190-R192 PolarHBondContact O-N 2.96Å; R192-A194 VanDerWaalsContact C-N 3.3Å; R192-A194 PolarHBondContact O-N 3.44Å |
| 193 | A | 97.4 | Very high | 98 | Very high | 83 Ų | 83 | 58.4 Ų | 58.4 | 69% | 0.686 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -19 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D191 P195 | D191-A193 PolarHBondContact O-N 2.9Å; D191-A193 PolarHBondContact OD1-N 3.37Å; A193-P195 WeakPolarHBondContact O-CD 3.43Å |
| 194 | A | 98 | Very high | 97.9 | Very high | 22 Ų | 22 | 61.3 Ų | 61.3 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -64.8 | 122.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111 | K111 V190 D191 R192 F199 | K111-A194 WeakPolarHBondContact CE-O 3.32Å; K111-A194 PolarHBondContact NZ-O 2.88Å; V190-A194 HydrophobicContact CG1-CB 4.46Å; D191-A194 HydrophobicContact CB-CB 4.44Å; D191-A194 WeakPolarHBondContact O-CB 3.42Å; D191-A194 PolarHBondContact O-N 2.69Å; R192-A194 VanDerWaalsContact C-N 3.3Å; R192-A194 PolarHBondContact O-N 3.44Å; A194-F199 HydrophobicContact CB-CE2 4.13Å; A194-F199 HydrophobicContact CB-CZ 4.07Å |
| 195 | P | 98 | Very high | 97.9 | Very high | 85 Ų | 85 | 63 Ų | 63 | 55% | 0.552 | 34% | 0.341 | S | S | * | . | trans | -70.8 | 142.3 | -178 | 28.6 | -34.5 | 0 | 0 | 0 | 111.2 | A193 K197 S198 | A193-P195 WeakPolarHBondContact O-CD 3.43Å; P195-K197 PolarHBondContact O-N 2.92Å; P195-S198 WeakPolarHBondContact O-CB 3.34Å; P195-S198 PolarHBondContact O-N 2.94Å; P195-S198 PolarHBondContact O-OG 2.91Å | ||
| 196 | L | 98.4 | Very high | 97.9 | Very high | 18 Ų | 18 | 63.1 Ų | 63.1 | 9% | 0.094 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -51.7 | -34.9 | 179.5 | -71 | 179.2 | 0 | 0 | 0 | 113.9 | K111 E114 L115 H118 Y183 S198 F199 | K111-L196 HydrophobicContact CD-CD2 3.91Å; E114-L196 HydrophobicContact CG-CD1 4.22Å; E114-L196 HydrophobicContact CG-CD2 4.4Å; E114-L196 HydrophobicContact CG-CG 4.34Å; L115-L196 HydrophobicContact CB-CD1 4.46Å; L115-L196 HydrophobicContact CB-CD2 3.9Å; L115-L196 HydrophobicContact CD1-CD1 4.34Å; L115-L196 HydrophobicContact CD1-CD2 4.49Å; H118-L196 HydrophobicContact CB-CD1 3.63Å; Y183-L196 HydrophobicContact CE1-CB 4.17Å; Y183-L196 WeakPolarHBondContact CE1-O 3.37Å; L196-S198 PolarHBondContact O-N 2.86Å; L196-F199 WeakPolarHBondContact O-CB 3.38Å; L196-F199 PolarHBondContact O-N 2.85Å |
| 197 | K | 97.7 | Very high | 97.8 | Very high | 148 Ų | 148 | 63.3 Ų | 63.3 | 64% | 0.643 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -61.4 | -22.7 | 178.8 | -63 | -172.6 | 178.1 | -177.2 | 0 | 113.7 | P195 F199 Y200 | P195-K197 PolarHBondContact O-N 2.92Å; K197-F199 PolarHBondContact O-N 2.85Å; K197-Y200 HydrophobicContact CB-CD2 4Å; K197-Y200 HydrophobicContact CB-CE2 3.82Å; K197-Y200 HydrophobicContact CD-CE2 4.21Å; K197-Y200 HydrophobicContact CG-CD2 4.39Å; K197-Y200 HydrophobicContact CG-CE2 3.7Å; K197-Y200 WeakPolarHBondContact O-CB 3.49Å; K197-Y200 WeakPolarHBondContact O-CD2 3.15Å; K197-Y200 PolarHBondContact O-N 3.31Å |
| 198 | S | 97.9 | Very high | 97.8 | Very high | 75 Ų | 75 | 72.6 Ų | 72.6 | 52% | 0.524 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -70.2 | -14.2 | 175 | 69.4 | 0 | 0 | 0 | 0 | 112.9 | P195 L196 | P195-S198 WeakPolarHBondContact O-CB 3.34Å; P195-S198 PolarHBondContact O-N 2.94Å; P195-S198 PolarHBondContact O-OG 2.91Å; L196-S198 PolarHBondContact O-N 2.86Å |
| 199 | F | 98.6 | Very high | 97.8 | Very high | 32 Ų | 32 | 67 Ų | 67 | 14% | 0.14 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -97.3 | 7.3 | 175.9 | -56.3 | -72.9 | 0 | 0 | 0 | 113 | K111 Y183 V184 L185 V190 A194 L196 K197 A201 | K111-F199 HydrophobicContact CD-CE2 4.29Å; K111-F199 HydrophobicContact CG-CE2 4.4Å; Y183-F199 VanDerWaalsContact CA-O 3.29Å; Y183-F199 WeakPolarHBondContact CA-O 3.29Å; Y183-F199 HydrophobicContact CD1-CB 4.32Å; V184-F199 PolarHBondContact N-O 3.47Å; L185-F199 HydrophobicContact CD1-CB 3.89Å; L185-F199 HydrophobicContact CD1-CG 4.22Å; L185-F199 HydrophobicContact CD2-CD2 4.4Å; L185-F199 HydrophobicContact CD2-CG 4.41Å; L185-F199 HydrophobicContact CG-CB 4.01Å; L185-F199 HydrophobicContact CG-CD1 3.96Å; L185-F199 HydrophobicContact CG-CD2 4.27Å; L185-F199 HydrophobicContact CG-CG 3.8Å; V190-F199 HydrophobicContact CG1-CE1 4.19Å; V190-F199 HydrophobicContact CG1-CE2 4.15Å; V190-F199 HydrophobicContact CG1-CZ 3.43Å; V190-F199 VanDerWaalsContact CG1-CZ 3.43Å; A194-F199 HydrophobicContact CB-CE2 4.13Å; A194-F199 HydrophobicContact CB-CZ 4.07Å; L196-F199 WeakPolarHBondContact O-CB 3.38Å; L196-F199 PolarHBondContact O-N 2.85Å; K197-F199 PolarHBondContact O-N 2.85Å; F199-A201 PolarHBondContact O-N 3.05Å |
| 200 | Y | 98.7 | Very high | 97.7 | Very high | 56 Ų | 56 | 64 Ų | 64 | 22% | 0.22 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -58.9 | 134.4 | 171.8 | -77.4 | -33 | 0 | 0 | 0 | 110.8 | E181 S182 Y183 K197 N227 | E181-Y200 HydrophobicContact CB-CE1 4.17Å; E181-Y200 HydrophobicContact CG-CE1 4.26Å; S182-Y200 WeakPolarHBondContact O-CA 3.49Å; Y183-Y200 AromaticContact CD1-CD1 3.83Å; Y183-Y200 HydrophobicContact CD1-CD1 3.83Å; Y183-Y200 HydrophobicContact CD1-CE1 4.11Å; Y183-Y200 AromaticContact CE1-CD1 3.48Å; Y183-Y200 HydrophobicContact CE1-CD1 3.48Å; Y183-Y200 VanDerWaalsContact CE1-CD1 3.48Å; Y183-Y200 AromaticContact CE1-CE1 3.31Å; Y183-Y200 HydrophobicContact CE1-CE1 3.31Å; Y183-Y200 HydrophobicContact CE2-CE1 4.08Å; Y183-Y200 HydrophobicContact CG-CD1 4.49Å; Y183-Y200 AromaticContact CZ-CD1 3.9Å; Y183-Y200 AromaticContact CZ-CE1 3.31Å; Y183-Y200 VanDerWaalsContact OH-CE1 3.31Å; Y183-Y200 WeakPolarHBondContact OH-CE1 3.27Å; K197-Y200 HydrophobicContact CB-CD2 4Å; K197-Y200 HydrophobicContact CB-CE2 3.82Å; K197-Y200 HydrophobicContact CD-CE2 4.21Å; K197-Y200 HydrophobicContact CG-CD2 4.39Å; K197-Y200 HydrophobicContact CG-CE2 3.7Å; K197-Y200 WeakPolarHBondContact O-CB 3.49Å; K197-Y200 WeakPolarHBondContact O-CD2 3.15Å; K197-Y200 PolarHBondContact O-N 3.31Å; Y200-N227 HydrophobicContact CD1-CB 4Å; Y200-N227 WeakPolarHBondContact CD1-OD1 3.4Å; Y200-N227 HydrophobicContact CD2-CB 3.74Å; Y200-N227 HydrophobicContact CE1-CB 4.26Å; Y200-N227 HydrophobicContact CE2-CB 4Å; Y200-N227 WeakPolarHBondContact CE2-O 3.22Å; Y200-N227 HydrophobicContact CG-CB 3.75Å |
| 201 | A | 98.2 | Very high | 97.7 | Very high | 14 Ų | 14 | 66.5 Ų | 66.5 | 12% | 0.116 | 37% | 0.374 | C | S | . | . | trans | -131.4 | 146.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | S182 V184 F199 L203 I206 N227 | S182-A201 WeakPolarHBondContact CB-O 3.2Å; S182-A201 PolarHBondContact O-N 2.77Å; S182-A201 PolarHBondContact OG-O 3.21Å; V184-A201 HydrophobicContact CB-CB 4.11Å; V184-A201 HydrophobicContact CG2-CB 3.64Å; F199-A201 PolarHBondContact O-N 3.05Å; A201-L203 PolarHBondContact O-N 3.05Å; A201-I206 HydrophobicContact CB-CD1 4.42Å; A201-I206 HydrophobicContact CB-CG1 4.37Å; A201-N227 PolarHBondContact O-ND2 3.3Å | ||
| 202 | P | 97.2 | Very high | 97.7 | Very high | 71 Ų | 71 | 62.6 Ų | 62.6 | 46% | 0.461 | 35% | 0.352 | S | S | . | . | trans | -55.7 | 139.6 | 169.3 | -21.9 | 33 | 0 | 0 | 0 | 110.8 | E204 S205 I206 | P202-E204 PolarHBondContact O-N 2.68Å; P202-S205 WeakPolarHBondContact O-CB 3.3Å; P202-S205 PolarHBondContact O-N 2.76Å; P202-S205 VanDerWaalsContact O-N 3.1Å; P202-I206 PolarHBondContact O-N 3.49Å | ||
| 203 | L | 96.9 | Very high | 97.8 | Very high | 12 Ų | 12 | 58.9 Ų | 58.9 | 6% | 0.063 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.8 | -43.4 | 178.4 | 178.7 | 61.2 | 0 | 0 | 0 | 110.6 | V168 L180 A201 S205 I206 E207 I214 | V168-L203 HydrophobicContact CB-CD1 4.46Å; V168-L203 HydrophobicContact CG1-CD1 3.72Å; V168-L203 HydrophobicContact CG2-CD1 3.91Å; L180-L203 HydrophobicContact CD1-CD2 3.96Å; L180-L203 HydrophobicContact CD2-CB 4.41Å; A201-L203 PolarHBondContact O-N 3.05Å; L203-S205 PolarHBondContact O-N 3.17Å; L203-I206 WeakPolarHBondContact O-CA 3.31Å; L203-I206 WeakPolarHBondContact O-CB 3.32Å; L203-I206 PolarHBondContact O-N 2.72Å; L203-E207 HydrophobicContact CD1-CG 4.37Å; L203-E207 HydrophobicContact CG-CG 4.24Å; L203-E207 WeakPolarHBondContact O-CG 3.49Å; L203-E207 PolarHBondContact O-N 3.5Å; L203-I214 HydrophobicContact CD1-CB 4.12Å; L203-I214 HydrophobicContact CD1-CD1 4.33Å; L203-I214 HydrophobicContact CD1-CG2 4.48Å |
| 204 | E | 96.6 | Very high | 97.8 | Very high | 64 Ų | 64 | 55 Ų | 55 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61 | -33.2 | -179.6 | -60.4 | 77.6 | -172.7 | 0 | 0 | 112 | P202 I206 E207 R208 R220 | P202-E204 PolarHBondContact O-N 2.68Å; E204-I206 VanDerWaalsContact C-N 3.34Å; E204-E207 PolarHBondContact O-N 2.81Å; E204-R208 WeakPolarHBondContact O-CB 3.23Å; E204-R208 WeakPolarHBondContact O-CG 3.34Å; E204-R208 PolarHBondContact O-N 3.38Å; E204-R220 IonicContact OE1-CZ 2.61Å; E204-R220 IonicContact OE1-NH1 3.26Å; E204-R220 PolarHBondContact OE1-NH1 3.19Å; E204-R220 IonicContact OE1-NH2 3.86Å; E204-R220 PolarHBondContact OE1-NH2 3.32Å |
| 205 | S | 97.7 | Very high | 97.8 | Very high | 64 Ų | 64 | 54.6 Ų | 54.6 | 45% | 0.448 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.2 | -37.2 | 176.3 | -63 | 0 | 0 | 0 | 0 | 111.3 | P202 L203 A209 | P202-S205 WeakPolarHBondContact O-CB 3.3Å; P202-S205 PolarHBondContact O-N 2.76Å; P202-S205 VanDerWaalsContact O-N 3.1Å; L203-S205 PolarHBondContact O-N 3.17Å; S205-A209 VanDerWaalsContact O-CB 3.3Å; S205-A209 WeakPolarHBondContact O-CB 3.49Å; S205-A209 PolarHBondContact O-N 3.05Å; S205-A209 VanDerWaalsContact O-N 3.15Å |
| 206 | I | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.6 | -49.2 | 173.8 | -62 | 171.3 | 0 | 0 | 0 | 109.7 | F166 V168 V184 A201 P202 L203 E204 R208 A209 A210 I214 | F166-I206 HydrophobicContact CB-CD1 4.2Å; F166-I206 HydrophobicContact CB-CG1 4.4Å; F166-I206 HydrophobicContact CB-CG2 3.83Å; F166-I206 HydrophobicContact CD1-CG2 4.01Å; F166-I206 HydrophobicContact CD2-CG2 3.81Å; F166-I206 HydrophobicContact CE2-CG2 4.38Å; F166-I206 HydrophobicContact CG-CG2 3.6Å; V168-I206 HydrophobicContact CG2-CD1 3.75Å; V168-I206 HydrophobicContact CG2-CG2 4.47Å; V184-I206 HydrophobicContact CG2-CD1 3.9Å; V184-I206 HydrophobicContact CG2-CG1 3.53Å; A201-I206 HydrophobicContact CB-CD1 4.42Å; A201-I206 HydrophobicContact CB-CG1 4.37Å; P202-I206 PolarHBondContact O-N 3.49Å; L203-I206 WeakPolarHBondContact O-CA 3.31Å; L203-I206 WeakPolarHBondContact O-CB 3.32Å; L203-I206 PolarHBondContact O-N 2.72Å; E204-I206 VanDerWaalsContact C-N 3.34Å; I206-R208 VanDerWaalsContact C-N 3.33Å; I206-R208 PolarHBondContact O-N 3.14Å; I206-A209 PolarHBondContact O-N 3.48Å; I206-A209 VanDerWaalsContact O-N 3.12Å; I206-A210 VanDerWaalsContact O-CB 3.25Å; I206-A210 WeakPolarHBondContact O-CB 3.41Å; I206-A210 PolarHBondContact O-N 3.01Å; I206-I214 HydrophobicContact CG2-CD1 3.9Å |
| 207 | E | 98.3 | Very high | 97.5 | Very high | 22 Ų | 22 | 59.5 Ų | 59.5 | 10% | 0.103 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.2 | -44.6 | -179.4 | -67.9 | 177.9 | 136.2 | 0 | 0 | 111.9 | L203 E204 A209 A210 G211 F212 L213 I214 | L203-E207 HydrophobicContact CD1-CG 4.37Å; L203-E207 HydrophobicContact CG-CG 4.24Å; L203-E207 WeakPolarHBondContact O-CG 3.49Å; L203-E207 PolarHBondContact O-N 3.5Å; E204-E207 PolarHBondContact O-N 2.81Å; E207-A209 VanDerWaalsContact C-N 3.35Å; E207-A209 PolarHBondContact O-N 3.27Å; E207-A210 PolarHBondContact O-N 3.33Å; E207-G211 PolarHBondContact O-N 3.25Å; E207-F212 VanDerWaalsContact CA-O 3.23Å; E207-F212 WeakPolarHBondContact CA-O 3.35Å; E207-F212 VanDerWaalsContact CB-O 3.27Å; E207-F212 WeakPolarHBondContact CB-O 3.39Å; E207-F212 WeakPolarHBondContact CG-O 3.25Å; E207-F212 PolarHBondContact O-N 2.69Å; E207-L213 HydrophobicContact CB-CD2 4.47Å; E207-L213 WeakPolarHBondContact OE1-CA 3.35Å; E207-I214 HydrophobicContact CG-CB 4.5Å; E207-I214 HydrophobicContact CG-CG1 4.3Å; E207-I214 PolarHBondContact OE1-N 3.4Å |
| 208 | R | 98.1 | Very high | 97.2 | Very high | 214 Ų | 214 | 53.3 Ų | 53.3 | 81% | 0.808 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.9 | -39.5 | 175.6 | -75.1 | 176.1 | -169.5 | -76.7 | -0.7 | 112.8 | E204 I206 | E204-R208 WeakPolarHBondContact O-CB 3.23Å; E204-R208 WeakPolarHBondContact O-CG 3.34Å; E204-R208 PolarHBondContact O-N 3.38Å; I206-R208 VanDerWaalsContact C-N 3.33Å; I206-R208 PolarHBondContact O-N 3.14Å |
| 209 | A | 97.9 | Very high | 96.5 | Very high | 44 Ų | 44 | 52.9 Ų | 52.9 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -76.6 | -32.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | L136 L138 S205 I206 E207 | L136-A209 HydrophobicContact CD2-CB 3.98Å; L138-A209 HydrophobicContact CD2-CB 3.54Å; S205-A209 VanDerWaalsContact O-CB 3.3Å; S205-A209 WeakPolarHBondContact O-CB 3.49Å; S205-A209 PolarHBondContact O-N 3.05Å; S205-A209 VanDerWaalsContact O-N 3.15Å; I206-A209 PolarHBondContact O-N 3.48Å; I206-A209 VanDerWaalsContact O-N 3.12Å; E207-A209 VanDerWaalsContact C-N 3.35Å; E207-A209 PolarHBondContact O-N 3.27Å |
| 210 | A | 97.5 | Very high | 95.7 | Very high | 26 Ų | 26 | 58.2 Ų | 58.2 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -88 | -21.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L136 F166 I206 E207 F212 | L136-A210 HydrophobicContact CD2-CB 3.7Å; F166-A210 HydrophobicContact CE1-CB 4.38Å; I206-A210 VanDerWaalsContact O-CB 3.25Å; I206-A210 WeakPolarHBondContact O-CB 3.41Å; I206-A210 PolarHBondContact O-N 3.01Å; E207-A210 PolarHBondContact O-N 3.33Å; A210-F212 HydrophobicContact CB-CD1 4.01Å; A210-F212 HydrophobicContact CB-CD2 4.06Å; A210-F212 HydrophobicContact CB-CE1 3.57Å; A210-F212 HydrophobicContact CB-CE2 3.65Å; A210-F212 HydrophobicContact CB-CG 4.25Å; A210-F212 HydrophobicContact CB-CZ 3.4Å; A210-F212 VanDerWaalsContact CB-CZ 3.4Å; A210-F212 VanDerWaalsContact O-CD1 3.24Å; A210-F212 WeakPolarHBondContact O-CD1 3.47Å; A210-F212 WeakPolarHBondContact O-CE1 3.41Å |
| 211 | G | 97.3 | Very high | 95.1 | Very high | 70 Ų | 70 | 64.6 Ų | 64.6 | 72% | 0.722 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 23.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E207 | E207-G211 PolarHBondContact O-N 3.25Š|
| 212 | F | 97.2 | Very high | 94.6 | Very high | 27 Ų | 27 | 66.3 Ų | 66.3 | 12% | 0.118 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -151.8 | 159.1 | 177.8 | 46 | -105.8 | 0 | 0 | 0 | 112.6 | P6 W27 F166 E207 A210 I214 | P6-F212 HydrophobicContact CB-CB 4.04Å; P6-F212 HydrophobicContact CB-CD2 3.52Å; P6-F212 HydrophobicContact CB-CE2 4.1Å; P6-F212 HydrophobicContact CB-CG 3.92Å; P6-F212 WeakPolarHBondContact O-CB 3.48Å; W27-F212 HydrophobicContact CB-CE2 4.36Å; W27-F212 HydrophobicContact CB-CZ 3.92Å; W27-F212 AromaticContact CD1-CE1 3.72Å; W27-F212 AromaticContact CD1-CZ 3.75Å; W27-F212 HydrophobicContact CG-CE2 4.49Å; W27-F212 HydrophobicContact CG-CZ 4.18Å; F166-F212 HydrophobicContact CE1-CE2 4.19Å; F166-F212 AromaticContact CE1-CZ 3.8Å; F166-F212 HydrophobicContact CE1-CZ 3.8Å; F166-F212 AromaticContact CZ-CE2 3.73Å; F166-F212 HydrophobicContact CZ-CE2 3.73Å; F166-F212 AromaticContact CZ-CZ 3.68Å; F166-F212 HydrophobicContact CZ-CZ 3.68Å; E207-F212 VanDerWaalsContact CA-O 3.23Å; E207-F212 WeakPolarHBondContact CA-O 3.35Å; E207-F212 VanDerWaalsContact CB-O 3.27Å; E207-F212 WeakPolarHBondContact CB-O 3.39Å; E207-F212 WeakPolarHBondContact CG-O 3.25Å; E207-F212 PolarHBondContact O-N 2.69Å; A210-F212 HydrophobicContact CB-CD1 4.01Å; A210-F212 HydrophobicContact CB-CD2 4.06Å; A210-F212 HydrophobicContact CB-CE1 3.57Å; A210-F212 HydrophobicContact CB-CE2 3.65Å; A210-F212 HydrophobicContact CB-CG 4.25Å; A210-F212 HydrophobicContact CB-CZ 3.4Å; A210-F212 VanDerWaalsContact CB-CZ 3.4Å; A210-F212 VanDerWaalsContact O-CD1 3.24Å; A210-F212 WeakPolarHBondContact O-CD1 3.47Å; A210-F212 WeakPolarHBondContact O-CE1 3.41Å; F212-I214 HydrophobicContact CD2-CD1 4.4Å; F212-I214 HydrophobicContact CD2-CG1 3.94Å; F212-I214 HydrophobicContact CE2-CD1 4.06Å; F212-I214 HydrophobicContact CE2-CG1 4.03Å |
| 213 | L | 97.6 | Very high | 94.4 | Very high | 88 Ų | 88 | 64.4 Ų | 64.4 | 46% | 0.461 | 34% | 0.338 | S | S | . | . | trans | -92.6 | 140.7 | 177.7 | -61.6 | 177.4 | 0 | 0 | 0 | 111.2 | P6 E207 Q216 | P6-L213 WeakPolarHBondContact CA-O 3.49Å; P6-L213 WeakPolarHBondContact CB-O 3.46Å; E207-L213 HydrophobicContact CB-CD2 4.47Å; E207-L213 WeakPolarHBondContact OE1-CA 3.35Å; L213-Q216 HydrophobicContact CB-CB 4.12Å; L213-Q216 HydrophobicContact CD1-CB 4.45Å | ||
| 214 | I | 97.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 67.9 Ų | 67.9 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -115 | 126.3 | -176.5 | -58.6 | 171.8 | 0 | 0 | 0 | 108.8 | C132 F166 V168 L203 I206 E207 F212 Q216 | C132-I214 HydrophobicContact CB-CG2 3.81Å; F166-I214 HydrophobicContact CD2-CD1 4.43Å; F166-I214 HydrophobicContact CE2-CD1 3.9Å; F166-I214 HydrophobicContact CZ-CD1 4.38Å; V168-I214 HydrophobicContact CB-CG2 4.2Å; V168-I214 HydrophobicContact CG1-CG2 4.18Å; V168-I214 HydrophobicContact CG2-CD1 3.82Å; L203-I214 HydrophobicContact CD1-CB 4.12Å; L203-I214 HydrophobicContact CD1-CD1 4.33Å; L203-I214 HydrophobicContact CD1-CG2 4.48Å; I206-I214 HydrophobicContact CG2-CD1 3.9Å; E207-I214 HydrophobicContact CG-CB 4.5Å; E207-I214 HydrophobicContact CG-CG1 4.3Å; E207-I214 PolarHBondContact OE1-N 3.4Å; F212-I214 HydrophobicContact CD2-CD1 4.4Å; F212-I214 HydrophobicContact CD2-CG1 3.94Å; F212-I214 HydrophobicContact CE2-CD1 4.06Å; F212-I214 HydrophobicContact CE2-CG1 4.03Å; I214-Q216 VanDerWaalsContact C-N 3.27Å; I214-Q216 PolarHBondContact O-N 2.86Å |
| 215 | F | 97.3 | Very high | 94.3 | Very high | 13 Ų | 13 | 66.2 Ų | 66.2 | 6% | 0.057 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 58.3 | 32.7 | -178 | -49.1 | -48 | 0 | 0 | 0 | 114.8 | F3 M29 Y130 C132 V168 L170 L180 N217 L218 | F3-F215 HydrophobicContact CB-CB 4.04Å; F3-F215 HydrophobicContact CB-CD1 3.92Å; F3-F215 HydrophobicContact CB-CG 4.41Å; F3-F215 CarbonylContact O-C 3.25Å; F3-F215 VanDerWaalsContact O-C 3.25Å; F3-F215 VanDerWaalsContact O-CA 3.28Å; F3-F215 WeakPolarHBondContact O-CA 3.41Å; M29-F215 HydrophobicContact CE-CE1 4.22Å; M29-F215 HydrophobicContact SD-CE1 3.66Å; M29-F215 HydrophobicContact SD-CZ 4.24Å; Y130-F215 WeakPolarHBondContact O-CZ 3.49Å; C132-F215 HydrophobicContact CB-CZ 4.25Å; V168-F215 HydrophobicContact CB-CE2 4.3Å; V168-F215 HydrophobicContact CG1-CD2 4.22Å; V168-F215 HydrophobicContact CG1-CE2 3.72Å; L170-F215 HydrophobicContact CB-CD2 3.64Å; L170-F215 HydrophobicContact CB-CE1 4.42Å; L170-F215 HydrophobicContact CB-CE2 3.41Å; L170-F215 VanDerWaalsContact CB-CE2 3.41Å; L170-F215 HydrophobicContact CB-CG 4.25Å; L170-F215 HydrophobicContact CB-CZ 3.85Å; L170-F215 HydrophobicContact CD2-CB 4.23Å; L170-F215 HydrophobicContact CD2-CD1 4.24Å; L170-F215 HydrophobicContact CD2-CD2 4.13Å; L170-F215 HydrophobicContact CD2-CG 3.94Å; L170-F215 HydrophobicContact CG-CD2 4.42Å; L180-F215 HydrophobicContact CD1-CD2 3.98Å; L180-F215 HydrophobicContact CD1-CE2 4.45Å; F215-N217 PolarHBondContact O-N 2.91Å; F215-L218 WeakPolarHBondContact O-CB 3.43Å; F215-L218 PolarHBondContact O-N 3.17Å |
| 216 | Q | 95 | Very high | 94.2 | Very high | 100 Ų | 100 | 65.9 Ų | 65.9 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -27.5 | -176.3 | 61.8 | 176.9 | -18.7 | 0 | 0 | 115.2 | F3 Y5 L213 I214 L218 | F3-Q216 PolarHBondContact O-N 3.02Å; Y5-Q216 PolarHBondContact O-NE2 3.12Å; L213-Q216 HydrophobicContact CB-CB 4.12Å; L213-Q216 HydrophobicContact CD1-CB 4.45Å; I214-Q216 VanDerWaalsContact C-N 3.27Å; I214-Q216 PolarHBondContact O-N 2.86Å; Q216-L218 VanDerWaalsContact C-N 3.33Å |
| 217 | N | 95.4 | Very high | 94.2 | Very high | 105 Ų | 105 | 66.9 Ų | 66.9 | 56% | 0.561 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -2.5 | -179.2 | -65.1 | -10.2 | 0 | 0 | 0 | 113.4 | F3 F215 P219 | F3-N217 PolarHBondContact O-N 3.49Å; F215-N217 PolarHBondContact O-N 2.91Å; N217-P219 WeakPolarHBondContact O-CD 3.44Å |
| 218 | L | 91.1 | Very high | 93.9 | Very high | 18 Ų | 18 | 68.9 Ų | 68.9 | 9% | 0.094 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -85.3 | 118.1 | 171.7 | -175.1 | 77.7 | 0 | 0 | 0 | 109.3 | F3 L170 W178 F215 Q216 R220 C222 L223 | F3-L218 HydrophobicContact CD1-CB 3.95Å; F3-L218 HydrophobicContact CD1-CD1 4.05Å; F3-L218 HydrophobicContact CE1-CB 4.45Å; F3-L218 HydrophobicContact CE1-CD1 3.67Å; F3-L218 HydrophobicContact CG-CB 4.48Å; F3-L218 HydrophobicContact CZ-CD1 4.23Å; L170-L218 HydrophobicContact CD1-CD2 3.44Å; L170-L218 VanDerWaalsContact CD1-CD2 3.44Å; L170-L218 HydrophobicContact CD2-CD2 3.81Å; L170-L218 HydrophobicContact CG-CD2 4.26Å; W178-L218 HydrophobicContact CD2-CD1 4.29Å; W178-L218 HydrophobicContact CG-CD1 4.47Å; F215-L218 WeakPolarHBondContact O-CB 3.43Å; F215-L218 PolarHBondContact O-N 3.17Å; Q216-L218 VanDerWaalsContact C-N 3.33Å; L218-R220 PolarHBondContact O-N 3.31Å; L218-R220 VanDerWaalsContact O-N 3.17Å; L218-C222 HydrophobicContact CD1-CB 4.36Å; L218-L223 HydrophobicContact CD2-CD1 4.48Å; L218-L223 HydrophobicContact CD2-CD2 3.67Å; L218-L223 HydrophobicContact CD2-CG 3.96Å |
| 219 | P | 84.2 | Confident | 93.5 | Very high | 66 Ų | 66 | 71.3 Ų | 71.3 | 43% | 0.429 | 39% | 0.385 | S | S | . | . | trans | -60.1 | 123.5 | 173.5 | -20.9 | 32.9 | 0 | 0 | 0 | 109.9 | N217 K221 C222 | N217-P219 WeakPolarHBondContact O-CD 3.44Å; P219-K221 HydrophobicContact CB-CG 3.94Å; P219-K221 PolarHBondContact O-N 2.72Å; P219-C222 VanDerWaalsContact O-CB 3.26Å; P219-C222 WeakPolarHBondContact O-CB 3.27Å; P219-C222 PolarHBondContact O-N 2.93Å | ||
| 220 | R | 81.9 | Confident | 93.3 | Very high | 145 Ų | 145 | 72.7 Ų | 72.7 | 55% | 0.547 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -55.1 | -29.9 | -177.7 | -70.8 | -170.7 | 172.3 | -146.5 | -5 | 113.7 | E204 L218 C222 L223 | E204-R220 IonicContact OE1-CZ 2.61Å; E204-R220 IonicContact OE1-NH1 3.26Å; E204-R220 PolarHBondContact OE1-NH1 3.19Å; E204-R220 IonicContact OE1-NH2 3.86Å; E204-R220 PolarHBondContact OE1-NH2 3.32Å; L218-R220 PolarHBondContact O-N 3.31Å; L218-R220 VanDerWaalsContact O-N 3.17Å; R220-C222 PolarHBondContact O-N 2.84Å; R220-C222 VanDerWaalsContact O-N 3.14Å; R220-L223 WeakPolarHBondContact O-CB 3.48Å; R220-L223 PolarHBondContact O-N 3.44Å |
| 221 | K | 84.6 | Confident | 93 | Very high | 190 Ų | 190 | 75.2 Ų | 75.2 | 83% | 0.826 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -60.4 | -17.6 | 174 | 65.1 | 177.2 | -179.8 | 179.8 | 0 | 114.7 | P219 L223 | P219-K221 HydrophobicContact CB-CG 3.94Å; P219-K221 PolarHBondContact O-N 2.72Å; K221-L223 VanDerWaalsContact C-N 3.32Å |
| 222 | C | 87.9 | Confident | 92.8 | Very high | 49 Ų | 49 | 75.4 Ų | 75.4 | 33% | 0.331 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -80.4 | -16.9 | 175.8 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | W178 L218 P219 R220 | W178-C222 WeakPolarHBondContact CB-O 3.45Å; L218-C222 HydrophobicContact CD1-CB 4.36Å; P219-C222 VanDerWaalsContact O-CB 3.26Å; P219-C222 WeakPolarHBondContact O-CB 3.27Å; P219-C222 PolarHBondContact O-N 2.93Å; R220-C222 PolarHBondContact O-N 2.84Å; R220-C222 VanDerWaalsContact O-N 3.14Å |
| 223 | L | 93.3 | Very high | 92.5 | Very high | 31 Ų | 31 | 78.3 Ų | 78.3 | 16% | 0.162 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.5 | 177.5 | -65.2 | 170.8 | 0 | 0 | 0 | 109.9 | L170 W178 L180 L218 R220 K221 I226 | L170-L223 HydrophobicContact CD1-CD2 3.7Å; W178-L223 HydrophobicContact CB-CD2 3.96Å; W178-L223 CarbonylContact O-C 3.56Å; W178-L223 VanDerWaalsContact O-CA 3.26Å; W178-L223 WeakPolarHBondContact O-CA 3.35Å; L180-L223 HydrophobicContact CB-CD2 4.1Å; L218-L223 HydrophobicContact CD2-CD1 4.48Å; L218-L223 HydrophobicContact CD2-CD2 3.67Å; L218-L223 HydrophobicContact CD2-CG 3.96Å; R220-L223 WeakPolarHBondContact O-CB 3.48Å; R220-L223 PolarHBondContact O-N 3.44Å; K221-L223 VanDerWaalsContact C-N 3.32Å; L223-I226 HydrophobicContact CD1-CD1 3.97Å; L223-I226 HydrophobicContact CD1-CG1 4.09Å |
| 224 | I | 95.9 | Very high | 92.2 | Very high | 86 Ų | 86 | 77.7 Ų | 77.7 | 44% | 0.441 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -20.3 | 173.5 | 65.4 | 164.9 | 0 | 0 | 0 | 112.5 | R177 W178 F179 | R177-I224 HydrophobicContact CB-CD1 3.89Å; R177-I224 HydrophobicContact CB-CG1 4.37Å; R177-I224 HydrophobicContact CB-CG2 3.94Å; R177-I224 HydrophobicContact CG-CG2 4.28Å; W178-I224 VanDerWaalsContact O-CG1 3.26Å; W178-I224 WeakPolarHBondContact O-CG1 3.46Å; W178-I224 PolarHBondContact O-N 3.13Å; F179-I224 HydrophobicContact CB-CG1 4.33Å |
| 225 | S | 96 | Very high | 91.9 | Very high | 28 Ų | 28 | 82.7 Ų | 82.7 | 20% | 0.196 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 155.6 | 172.8 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | F179 L180 R229 | F179-S225 WeakPolarHBondContact CA-O 3.4Å; F179-S225 VanDerWaalsContact CB-OG 3.27Å; F179-S225 WeakPolarHBondContact CB-OG 3.44Å; L180-S225 PolarHBondContact N-O 3.11Å; S225-R229 CarbonylContact C-O 3.58Å; S225-R229 WeakPolarHBondContact CA-O 3.42Å; S225-R229 WeakPolarHBondContact CB-O 3.5Å |
| 226 | I | 96.4 | Very high | 91.5 | Very high | 57 Ų | 57 | 87.6 Ų | 87.6 | 29% | 0.292 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 121.8 | 171.1 | -58 | 179.2 | 0 | 0 | 0 | 108 | L180 L223 G228 R229 | L180-I226 HydrophobicContact CD2-CG2 3.97Å; L180-I226 CarbonylContact O-C 3.49Å; L180-I226 WeakPolarHBondContact O-CA 3.47Å; L223-I226 HydrophobicContact CD1-CD1 3.97Å; L223-I226 HydrophobicContact CD1-CG1 4.09Å; I226-G228 PolarHBondContact O-N 3.41Å; I226-R229 PolarHBondContact N-O 2.97Å; I226-R229 PolarHBondContact O-N 2.73Å |
| 227 | N | 97.2 | Very high | 91.2 | Very high | 22 Ų | 22 | 86.7 Ų | 86.7 | 12% | 0.118 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 33 | -176.4 | -63.5 | -29.6 | 0 | 0 | 0 | 113.2 | L180 E181 S182 Y200 A201 R229 | L180-N227 PolarHBondContact O-N 2.89Å; E181-N227 WeakPolarHBondContact CA-OD1 3.43Å; S182-N227 PolarHBondContact N-OD1 3.36Å; S182-N227 PolarHBondContact OG-ND2 2.87Å; S182-N227 VanDerWaalsContact OG-ND2 3.15Å; S182-N227 PolarHBondContact OG-OD1 3.19Å; Y200-N227 HydrophobicContact CD1-CB 4Å; Y200-N227 WeakPolarHBondContact CD1-OD1 3.4Å; Y200-N227 HydrophobicContact CD2-CB 3.74Å; Y200-N227 HydrophobicContact CE1-CB 4.26Å; Y200-N227 HydrophobicContact CE2-CB 4Å; Y200-N227 WeakPolarHBondContact CE2-O 3.22Å; Y200-N227 HydrophobicContact CG-CB 3.75Å; A201-N227 PolarHBondContact O-ND2 3.3Å; N227-R229 VanDerWaalsContact C-N 3.29Å; N227-R229 PolarHBondContact O-N 3.12Å |
| 228 | G | 93.1 | Very high | 90.8 | Very high | 65 Ų | 65 | 85.2 Ų | 85.2 | 67% | 0.67 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 13.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | I226 | I226-G228 PolarHBondContact O-N 3.41Š|
| 229 | R | 88.7 | Confident | 90.8 | Very high | 265 Ų | 265 | 91.3 Ų | 91.3 | 100% | 1 | 46% | 0.456 | S | S | * | . | trans | -110.3 | 0 | 172.2 | -59.9 | -175.1 | -174.2 | -171.9 | 1.2 | 111.3 | S225 I226 N227 | S225-R229 CarbonylContact C-O 3.58Å; S225-R229 WeakPolarHBondContact CA-O 3.42Å; S225-R229 WeakPolarHBondContact CB-O 3.5Å; I226-R229 PolarHBondContact N-O 2.97Å; I226-R229 PolarHBondContact O-N 2.73Å; N227-R229 VanDerWaalsContact C-N 3.29Å; N227-R229 PolarHBondContact O-N 3.12Å |
Retrieved 229 of 229 residues in 91.4 ms
(Link to these results)