| 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 | 56.6 | Low | 89.7 | Confident | 153 Ų | 153 | 51.2 Ų | 51.2 | 75% | 0.754 | 27% | 0.274 | S | S | * | . | 0 | 89.6 | 0 | -91.4 | -94.5 | -82.4 | 0 | 0 | 110 | D37 K40 | M1-D37 WeakPolarHBondContact CA-OD2 3.43Å; M1-D37 PolarHBondContact N-OD2 3.3Å; M1-K40 PolarHBondContact SD-NZ 3.09Å | |||
| 2 | S | 77.1 | Confident | 90.2 | Very high | 23 Ų | 23 | 52.4 Ų | 52.4 | 16% | 0.161 | 29% | 0.287 | C | S | . | . | trans | -63.4 | 137.3 | 179.9 | 178.3 | 0 | 0 | 0 | 0 | 113.8 | F4 S340 | S2-F4 PolarHBondContact OG-N 2.93Å; S2-F4 VanDerWaalsContact OG-N 3.07Å; S2-S340 CarbonylContact C-O 3.6Å; S2-S340 WeakPolarHBondContact CA-O 3.32Å; S2-S340 PolarHBondContact OG-O 2.75Å; S2-S340 VanDerWaalsContact OG-O 3.12Å | ||
| 3 | S | 81.8 | Confident | 90.7 | Very high | 62 Ų | 62 | 51 Ų | 51 | 43% | 0.434 | 28% | 0.281 | S | S | . | . | trans | -92.4 | -6 | 166.6 | 49.6 | 0 | 0 | 0 | 0 | 113.2 | S340 | S3-S340 PolarHBondContact N-O 3.13Å; S3-S340 PolarHBondContact OG-O 2.83Å; S3-S340 VanDerWaalsContact OG-O 3.13Å | ||
| 4 | F | 92.8 | Very high | 91.2 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | trans | -77.4 | 131.1 | 173.3 | 174.2 | -104.3 | 0 | 0 | 0 | 110.8 | S2 G6 R7 M8 L16 Y133 Y163 S340 | S2-F4 PolarHBondContact OG-N 2.93Å; S2-F4 VanDerWaalsContact OG-N 3.07Å; F4-G6 VanDerWaalsContact CE1-O 3.32Å; F4-G6 WeakPolarHBondContact CE1-O 3.49Å; F4-G6 VanDerWaalsContact CZ-O 3.28Å; F4-G6 WeakPolarHBondContact CZ-O 3.44Å; F4-R7 WeakPolarHBondContact CE2-O 3.19Å; F4-M8 HydrophobicContact CZ-CG 4.2Å; F4-L16 HydrophobicContact CE1-CB 4.08Å; F4-Y133 AromaticContact CD1-CE2 3.61Å; F4-Y133 HydrophobicContact CD1-CE2 3.61Å; F4-Y133 HydrophobicContact CE1-CD2 4.06Å; F4-Y133 AromaticContact CE1-CE2 3.42Å; F4-Y133 HydrophobicContact CE1-CE2 3.42Å; F4-Y133 VanDerWaalsContact CE1-CE2 3.42Å; F4-Y133 HydrophobicContact CG-CE2 4.32Å; F4-Y133 HydrophobicContact CZ-CD2 4.24Å; F4-Y133 HydrophobicContact CZ-CE2 4.02Å; F4-Y163 AromaticContact CD2-CD1 3.62Å; F4-Y163 HydrophobicContact CD2-CD1 3.62Å; F4-Y163 AromaticContact CD2-CE1 3.94Å; F4-Y163 HydrophobicContact CD2-CE1 3.94Å; F4-Y163 AromaticContact CE2-CD1 3.37Å; F4-Y163 HydrophobicContact CE2-CD1 3.37Å; F4-Y163 AromaticContact CE2-CE1 3.5Å; F4-Y163 HydrophobicContact CE2-CE1 3.5Å; F4-Y163 HydrophobicContact CE2-CG 4.2Å; F4-Y163 HydrophobicContact CZ-CD1 4.27Å; F4-S340 PolarHBondContact N-O 3.18Å | ||
| 5 | A | 94.1 | Very high | 91.7 | Very high | 71 Ų | 71 | 44.2 Ų | 44.2 | 59% | 0.587 | 24% | 0.243 | S | C | * | . | trans | -91.3 | 5.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115 | N23 | A5-N23 PolarHBondContact O-ND2 3.28Å; A5-N23 PolarHBondContact O-OD1 2.97Å | ||
| 6 | G | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 110.4 | -35.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | F4 S15 L16 | F4-G6 VanDerWaalsContact CE1-O 3.32Å; F4-G6 WeakPolarHBondContact CE1-O 3.49Å; F4-G6 VanDerWaalsContact CZ-O 3.28Å; F4-G6 WeakPolarHBondContact CZ-O 3.44Å; G6-S15 WeakPolarHBondContact O-CA 3.42Å; G6-L16 WeakPolarHBondContact CA-O 3.46Å; G6-L16 PolarHBondContact O-N 2.96Å |
| 7 | R | 97.4 | Very high | 92.5 | Very high | 67 Ų | 67 | 39.4 Ų | 39.4 | 25% | 0.253 | 22% | 0.216 | S | C | . | . | trans | -100.7 | 130.3 | -172.7 | -74.3 | -179.6 | 161.9 | 141.9 | 14.2 | 113.9 | F4 P12 E22 | F4-R7 WeakPolarHBondContact CE2-O 3.19Å; R7-P12 VanDerWaalsContact CD-O 3.29Å; R7-P12 WeakPolarHBondContact CD-O 3.32Å; R7-P12 PolarHBondContact NE-O 2.89Å; R7-E22 VanDerWaalsContact CZ-O 3.22Å; R7-E22 PolarHBondContact NH1-O 3.13Å; R7-E22 VanDerWaalsContact NH1-O 3.11Å; R7-E22 IonicContact NH1-OE2 3.65Å; R7-E22 PolarHBondContact NH1-OE2 3.36Å; R7-E22 VanDerWaalsContact NH1-OE2 3.16Å; R7-E22 PolarHBondContact NH2-O 3.12Å | ||
| 8 | M | 97.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | trans | -77.8 | 157.9 | 165.1 | -58.6 | -179.9 | -59 | 0 | 0 | 109.8 | F4 Y11 P12 L16 F124 V131 Y163 | F4-M8 HydrophobicContact CZ-CG 4.2Å; M8-Y11 HydrophobicContact CE-CD2 4.1Å; M8-P12 WeakPolarHBondContact O-CA 3.29Å; M8-L16 HydrophobicContact CE-CD1 3.62Å; M8-L16 HydrophobicContact CG-CD1 3.86Å; M8-L16 HydrophobicContact SD-CD1 3.56Å; M8-L16 VanDerWaalsContact SD-CD1 3.56Å; M8-F124 HydrophobicContact CE-CD1 4.14Å; M8-F124 HydrophobicContact CE-CD2 3.6Å; M8-F124 HydrophobicContact CE-CE1 4.21Å; M8-F124 HydrophobicContact CE-CE2 3.64Å; M8-F124 HydrophobicContact CE-CG 3.87Å; M8-F124 HydrophobicContact CE-CZ 3.97Å; M8-F124 HydrophobicContact SD-CD2 4.04Å; M8-F124 HydrophobicContact SD-CE2 4.12Å; M8-V131 HydrophobicContact CG-CG1 4.4Å; M8-V131 HydrophobicContact SD-CB 4.28Å; M8-V131 HydrophobicContact SD-CG1 3.47Å; M8-V131 WeakPolarHBondContact SD-CG1 3.45Å; M8-Y163 HydrophobicContact CB-CD2 4.4Å; M8-Y163 HydrophobicContact CB-CE2 3.75Å; M8-Y163 HydrophobicContact CG-CD2 3.83Å; M8-Y163 HydrophobicContact CG-CE2 3.69Å; M8-Y163 HydrophobicContact CG-CG 4.39Å; M8-Y163 HydrophobicContact SD-CD2 4.17Å; M8-Y163 HydrophobicContact SD-CE2 4.37Å | ||
| 9 | K | 97.1 | Very high | 93.1 | Very high | 142 Ų | 142 | 37.9 Ų | 37.9 | 62% | 0.617 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -77.4 | -33.1 | -178.1 | -75.6 | 174.5 | 177 | 175.4 | 0 | 112.4 | Y163 F338 | K9-Y163 PolarHBondContact N-OH 2.93Å; K9-F338 HydrophobicContact CD-CE2 4.16Å; K9-F338 HydrophobicContact CD-CZ 3.88Å; K9-F338 VanDerWaalsContact NZ-CZ 3.3Å |
| 10 | E | 98 | Very high | 93.2 | Very high | 24 Ų | 24 | 37.6 Ų | 37.6 | 11% | 0.112 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -78.8 | -35.1 | -177.1 | -58.9 | 74.7 | -167.3 | 0 | 0 | 111.1 | H128 V131 Q160 S161 | E10-H128 HydrophobicContact CB-CB 4.06Å; E10-H128 VanDerWaalsContact O-CB 3.27Å; E10-H128 WeakPolarHBondContact O-CB 3.32Å; E10-V131 HydrophobicContact CB-CG2 3.78Å; E10-V131 HydrophobicContact CG-CG2 3.6Å; E10-Q160 HydrophobicContact CG-CG 4.27Å; E10-S161 WeakPolarHBondContact OE1-CB 3.49Å; E10-S161 PolarHBondContact OE1-OG 2.86Å |
| 11 | Y | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -129.4 | 68.8 | -179.8 | -55.2 | -75.5 | 0 | 0 | 0 | 111.1 | M8 T13 V14 E104 I106 F124 G126 H128 G129 V131 | M8-Y11 HydrophobicContact CE-CD2 4.1Å; Y11-T13 PolarHBondContact O-N 2.9Å; Y11-V14 PolarHBondContact O-N 3.05Å; Y11-V14 VanDerWaalsContact O-N 3.12Å; Y11-E104 WeakPolarHBondContact CD1-OE1 3.34Å; Y11-E104 WeakPolarHBondContact CE1-OE1 3.21Å; Y11-I106 HydrophobicContact CD1-CG2 3.85Å; Y11-I106 HydrophobicContact CE1-CG2 3.7Å; Y11-F124 HydrophobicContact CD2-CB 4.35Å; Y11-F124 HydrophobicContact CE2-CB 4.23Å; Y11-G126 WeakPolarHBondContact OH-CA 3.47Å; Y11-G126 PolarHBondContact OH-N 2.92Å; Y11-G126 PolarHBondContact OH-O 3.1Å; Y11-H128 HydrophobicContact CD1-CB 4.43Å; Y11-H128 HydrophobicContact CE1-CB 3.81Å; Y11-H128 AromaticContact CE1-ND1 3.92Å; Y11-H128 HydrophobicContact CE2-CB 4.48Å; Y11-H128 PolarHBondContact OH-N 2.54Å; Y11-G129 WeakPolarHBondContact CE2-O 3.44Å; Y11-G129 PolarHBondContact OH-N 3.12Å; Y11-G129 PolarHBondContact OH-O 3.12Å; Y11-V131 HydrophobicContact CD2-CG2 4.33Å; Y11-V131 HydrophobicContact CE2-CG2 4.04Å | ||
| 12 | P | 96.3 | Very high | 95.2 | Very high | 66 Ų | 66 | 42.6 Ų | 42.6 | 43% | 0.429 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -14.8 | -177.6 | 30.4 | -36.5 | 0 | 0 | 0 | 113.3 | R7 M8 V14 | R7-P12 VanDerWaalsContact CD-O 3.29Å; R7-P12 WeakPolarHBondContact CD-O 3.32Å; R7-P12 PolarHBondContact NE-O 2.89Å; M8-P12 WeakPolarHBondContact O-CA 3.29Å; P12-V14 PolarHBondContact O-N 3.13Å |
| 13 | T | 96.4 | Very high | 96.1 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 21% | 0.209 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -20.2 | 170.7 | 43.8 | 0 | 0 | 0 | 0 | 112.8 | Y11 A26 Q27 E104 | Y11-T13 PolarHBondContact O-N 2.9Å; T13-A26 CarbonylContact O-C 3.49Å; T13-A26 WeakPolarHBondContact O-CA 3.3Å; T13-Q27 PolarHBondContact O-N 3.45Å; T13-E104 PolarHBondContact OG1-OE2 2.85Å |
| 14 | V | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 145 | 178.2 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | Y11 P12 L16 F30 L95 I106 F124 | Y11-V14 PolarHBondContact O-N 3.05Å; Y11-V14 VanDerWaalsContact O-N 3.12Å; P12-V14 PolarHBondContact O-N 3.13Å; V14-L16 HydrophobicContact CG1-CD1 4.33Å; V14-L16 HydrophobicContact CG1-CG 4.44Å; V14-F30 HydrophobicContact CG1-CD2 3.42Å; V14-F30 VanDerWaalsContact CG1-CD2 3.42Å; V14-F30 HydrophobicContact CG1-CE2 3.51Å; V14-L95 HydrophobicContact CG2-CD1 3.65Å; V14-L95 HydrophobicContact CG2-CD2 4.05Å; V14-I106 HydrophobicContact CG2-CD1 4.22Å; V14-F124 HydrophobicContact CG1-CE1 4.04Å; V14-F124 HydrophobicContact CG1-CZ 4.09Å |
| 15 | S | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 138.7 | 167.4 | -169.3 | 0 | 0 | 0 | 0 | 112.9 | G6 R18 N23 A28 Y29 F30 | G6-S15 WeakPolarHBondContact O-CA 3.42Å; S15-R18 PolarHBondContact OG-O 2.93Å; S15-N23 WeakPolarHBondContact OG-CB 3.21Å; S15-N23 VanDerWaalsContact OG-CG 3.24Å; S15-N23 PolarHBondContact OG-OD1 2.83Å; S15-A28 PolarHBondContact N-O 3.23Å; S15-Y29 CarbonylContact O-C 3.59Å; S15-Y29 WeakPolarHBondContact O-CA 3.2Å; S15-F30 PolarHBondContact O-N 2.61Å |
| 16 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.5 | -174.7 | -74.8 | 136.8 | 0 | 0 | 0 | 110.5 | F4 G6 M8 V14 R18 F30 F122 F124 Y133 | F4-L16 HydrophobicContact CE1-CB 4.08Å; G6-L16 WeakPolarHBondContact CA-O 3.46Å; G6-L16 PolarHBondContact O-N 2.96Å; M8-L16 HydrophobicContact CE-CD1 3.62Å; M8-L16 HydrophobicContact CG-CD1 3.86Å; M8-L16 HydrophobicContact SD-CD1 3.56Å; M8-L16 VanDerWaalsContact SD-CD1 3.56Å; V14-L16 HydrophobicContact CG1-CD1 4.33Å; V14-L16 HydrophobicContact CG1-CG 4.44Å; L16-R18 PolarHBondContact O-N 2.76Å; L16-F30 HydrophobicContact CD2-CB 3.46Å; L16-F30 VanDerWaalsContact CD2-CB 3.46Å; L16-F30 HydrophobicContact CD2-CG 4.11Å; L16-F30 HydrophobicContact CG-CB 3.94Å; L16-F122 HydrophobicContact CD2-CB 4.4Å; L16-F122 HydrophobicContact CD2-CD2 3.33Å; L16-F122 HydrophobicContact CD2-CE2 3.8Å; L16-F122 HydrophobicContact CD2-CG 4.11Å; L16-F124 HydrophobicContact CD1-CE2 3.89Å; L16-F124 HydrophobicContact CD1-CZ 4.03Å; L16-F124 HydrophobicContact CD2-CE2 3.96Å; L16-F124 HydrophobicContact CD2-CZ 3.98Å; L16-F124 HydrophobicContact CG-CE2 4.47Å; L16-F124 HydrophobicContact CG-CZ 4.34Å; L16-Y133 HydrophobicContact CB-CD1 4.39Å; L16-Y133 HydrophobicContact CB-CD2 4.35Å; L16-Y133 HydrophobicContact CB-CE1 4.23Å; L16-Y133 HydrophobicContact CB-CE2 4.25Å; L16-Y133 HydrophobicContact CB-CG 4.44Å; L16-Y133 HydrophobicContact CD1-CD2 4.2Å; L16-Y133 HydrophobicContact CD1-CG 4.11Å; L16-Y133 HydrophobicContact CD2-CD1 3.7Å; L16-Y133 HydrophobicContact CD2-CE1 4.19Å; L16-Y133 HydrophobicContact CD2-CG 3.94Å; L16-Y133 HydrophobicContact CG-CD1 4.49Å; L16-Y133 HydrophobicContact CG-CG 4.4Å |
| 17 | D | 98.4 | Very high | 97 | Very high | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.032 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 55.5 | 17.9 | 173.6 | -63.1 | -2 | 0 | 0 | 0 | 115.2 | F30 L31 S32 H38 Y133 | D17-F30 PolarHBondContact N-O 2.86Å; D17-L31 VanDerWaalsContact OD1-CA 3.32Å; D17-L31 WeakPolarHBondContact OD1-CA 3.4Å; D17-S32 PolarHBondContact OD1-N 2.81Å; D17-S32 PolarHBondContact OD1-OG 2.7Å; D17-S32 WeakPolarHBondContact OD2-CB 3.38Å; D17-S32 PolarHBondContact OD2-OG 3.47Å; D17-H38 CarbonylContact C-O 3.58Å; D17-H38 WeakPolarHBondContact CA-O 3.38Å; D17-H38 HydrophobicContact CB-CB 3.89Å; D17-H38 CarbonylContact O-C 3.56Å; D17-H38 VanDerWaalsContact O-O 3.07Å; D17-H38 IonicContact OD2-CE1 2.69Å; D17-H38 IonicContact OD2-CG 2.71Å; D17-H38 IonicContact OD2-ND1 2.76Å; D17-H38 PolarHBondContact OD2-ND1 2.99Å; D17-Y133 PolarHBondContact OD2-OH 3.07Å |
| 18 | R | 97.8 | Very high | 97.1 | Very high | 50 Ų | 50 | 41.9 Ų | 41.9 | 19% | 0.189 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -152.5 | 130.9 | -177.6 | -153.5 | 74.1 | -161.1 | -123.2 | -11.9 | 110.6 | S15 L16 D20 N23 | S15-R18 PolarHBondContact OG-O 2.93Å; L16-R18 PolarHBondContact O-N 2.76Å; R18-D20 WeakPolarHBondContact CG-OD1 3.45Å; R18-D20 IonicContact CZ-OD1 2.72Å; R18-D20 IonicContact CZ-OD2 2.85Å; R18-D20 IonicContact NE-OD1 2.76Å; R18-D20 PolarHBondContact NE-OD1 2.83Å; R18-D20 IonicContact NE-OD2 3.63Å; R18-D20 IonicContact NH2-OD1 3.68Å; R18-D20 PolarHBondContact NH2-OD1 2.99Å; R18-D20 IonicContact NH2-OD2 3.44Å; R18-D20 PolarHBondContact NH2-OD2 3.48Å; R18-N23 WeakPolarHBondContact CG-ND2 3.39Å |
| 19 | F | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | trans | -140 | 4.1 | -166.4 | -42 | -87.7 | 0 | 0 | 0 | 113.5 | Y29 F30 L31 H38 K40 L42 L47 L59 | F19-Y29 AromaticContact CD1-CD1 3.57Å; F19-Y29 HydrophobicContact CD1-CD1 3.57Å; F19-Y29 HydrophobicContact CD1-CE1 4.13Å; F19-Y29 HydrophobicContact CD1-CG 4.08Å; F19-Y29 HydrophobicContact CE1-CD1 4.06Å; F19-Y29 HydrophobicContact CE1-CG 4.35Å; F19-F30 WeakPolarHBondContact CZ-O 3.45Å; F19-L31 HydrophobicContact CE2-CD1 4.2Å; F19-L31 HydrophobicContact CZ-CB 4.34Å; F19-L31 HydrophobicContact CZ-CD1 4.05Å; F19-H38 WeakPolarHBondContact CE2-O 3.33Å; F19-K40 WeakPolarHBondContact CD2-O 3.24Å; F19-K40 PolarHBondContact N-O 2.81Å; F19-L42 HydrophobicContact CD1-CD1 3.8Å; F19-L42 HydrophobicContact CD2-CB 3.62Å; F19-L42 HydrophobicContact CD2-CD1 3.86Å; F19-L42 HydrophobicContact CD2-CG 4.24Å; F19-L42 HydrophobicContact CE1-CD1 3.88Å; F19-L42 HydrophobicContact CE2-CB 4.06Å; F19-L42 HydrophobicContact CE2-CD1 3.92Å; F19-L42 HydrophobicContact CE2-CD2 4.35Å; F19-L42 HydrophobicContact CE2-CG 4.33Å; F19-L42 HydrophobicContact CG-CB 4.12Å; F19-L42 HydrophobicContact CG-CD1 3.81Å; F19-L42 HydrophobicContact CZ-CD1 3.94Å; F19-L47 HydrophobicContact CB-CD2 3.63Å; F19-L47 HydrophobicContact CG-CD2 4.42Å; F19-L59 HydrophobicContact CE1-CD1 4.01Å; F19-L59 HydrophobicContact CZ-CD1 4.48Å | ||
| 20 | D | 95.6 | Very high | 97.2 | Very high | 31 Ų | 31 | 35 Ų | 35 | 17% | 0.166 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -94.7 | 165.3 | 171.1 | 61.9 | -51.2 | 0 | 0 | 0 | 112.8 | R18 N23 | R18-D20 WeakPolarHBondContact CG-OD1 3.45Å; R18-D20 IonicContact CZ-OD1 2.72Å; R18-D20 IonicContact CZ-OD2 2.85Å; R18-D20 IonicContact NE-OD1 2.76Å; R18-D20 PolarHBondContact NE-OD1 2.83Å; R18-D20 IonicContact NE-OD2 3.63Å; R18-D20 IonicContact NH2-OD1 3.68Å; R18-D20 PolarHBondContact NH2-OD1 2.99Å; R18-D20 IonicContact NH2-OD2 3.44Å; R18-D20 PolarHBondContact NH2-OD2 3.48Å; D20-N23 WeakPolarHBondContact O-CB 3.36Å; D20-N23 PolarHBondContact O-N 3.34Å; D20-N23 PolarHBondContact O-ND2 2.89Å |
| 21 | R | 95.5 | Very high | 97.2 | Very high | 172 Ų | 172 | 33.9 Ų | 33.9 | 65% | 0.649 | 16% | 0.159 | S | C | * | . | G | 310 helix | trans | 58.1 | -136.5 | 172.2 | -53.7 | 167 | -169.6 | -110.4 | -12.5 | 111.3 | N23 L24 | R21-N23 PolarHBondContact O-N 3.29Å; R21-L24 WeakPolarHBondContact O-CB 3.41Å; R21-L24 VanDerWaalsContact O-CG 3.27Å; R21-L24 WeakPolarHBondContact O-CG 3.45Å; R21-L24 PolarHBondContact O-N 3.34Å |
| 22 | E | 95.4 | Very high | 97.3 | Very high | 124 Ų | 124 | 33.9 Ų | 33.9 | 58% | 0.579 | 16% | 0.16 | S | C | * | . | G | 310 helix | trans | -37.7 | -38.6 | 174.1 | -77 | -55.2 | 137.4 | 0 | 0 | 115.3 | R7 L24 H25 | R7-E22 VanDerWaalsContact CZ-O 3.22Å; R7-E22 PolarHBondContact NH1-O 3.13Å; R7-E22 VanDerWaalsContact NH1-O 3.11Å; R7-E22 IonicContact NH1-OE2 3.65Å; R7-E22 PolarHBondContact NH1-OE2 3.36Å; R7-E22 VanDerWaalsContact NH1-OE2 3.16Å; R7-E22 PolarHBondContact NH2-O 3.12Å; E22-L24 PolarHBondContact O-N 3.35Å; E22-L24 VanDerWaalsContact O-N 3.11Å; E22-H25 PolarHBondContact O-CD2 2.86Å; E22-H25 PolarHBondContact O-N 3.23Å |
| 23 | N | 97.5 | Very high | 97.4 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -62.7 | -20.5 | -176.4 | -58.1 | -58.4 | 0 | 0 | 0 | 113 | A5 S15 R18 D20 R21 H25 A26 Y29 | A5-N23 PolarHBondContact O-ND2 3.28Å; A5-N23 PolarHBondContact O-OD1 2.97Å; S15-N23 WeakPolarHBondContact OG-CB 3.21Å; S15-N23 VanDerWaalsContact OG-CG 3.24Å; S15-N23 PolarHBondContact OG-OD1 2.83Å; R18-N23 WeakPolarHBondContact CG-ND2 3.39Å; D20-N23 WeakPolarHBondContact O-CB 3.36Å; D20-N23 PolarHBondContact O-N 3.34Å; D20-N23 PolarHBondContact O-ND2 2.89Å; R21-N23 PolarHBondContact O-N 3.29Å; N23-H25 PolarHBondContact O-N 2.88Å; N23-H25 VanDerWaalsContact O-N 3.07Å; N23-A26 WeakPolarHBondContact O-CB 3.45Å; N23-A26 PolarHBondContact O-N 3.48Å; N23-Y29 WeakPolarHBondContact O-CE1 3.33Å; N23-Y29 PolarHBondContact O-OH 3.37Å; N23-Y29 VanDerWaalsContact O-OH 3.09Å |
| 24 | L | 96.2 | Very high | 97.3 | Very high | 37 Ų | 37 | 29.4 Ų | 29.4 | 19% | 0.194 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -56.9 | -20.9 | 170.9 | -65.8 | 172.4 | 0 | 0 | 0 | 113.3 | R21 E22 Y29 L46 L47 K50 | R21-L24 WeakPolarHBondContact O-CB 3.41Å; R21-L24 VanDerWaalsContact O-CG 3.27Å; R21-L24 WeakPolarHBondContact O-CG 3.45Å; R21-L24 PolarHBondContact O-N 3.34Å; E22-L24 PolarHBondContact O-N 3.35Å; E22-L24 VanDerWaalsContact O-N 3.11Å; L24-Y29 WeakPolarHBondContact CA-OH 3.35Å; L24-L46 HydrophobicContact CD1-CB 3.85Å; L24-L46 HydrophobicContact CD1-CD1 3.92Å; L24-L46 HydrophobicContact CD2-CB 4.18Å; L24-L47 HydrophobicContact CD2-CB 3.92Å; L24-L47 HydrophobicContact CD2-CD1 4.23Å; L24-K50 VanDerWaalsContact O-CD 3.26Å; L24-K50 WeakPolarHBondContact O-CD 3.26Å; L24-K50 WeakPolarHBondContact O-CE 3.35Å; L24-K50 PolarHBondContact O-NZ 2.93Å |
| 25 | H | 94.4 | Very high | 97.1 | Very high | 141 Ų | 141 | 29.4 Ų | 29.4 | 65% | 0.653 | 13% | 0.131 | S | C | * | . | G | 310 helix | trans | -88.1 | 2.7 | 174.8 | -59 | -75.1 | 0 | 0 | 0 | 114.4 | E22 N23 | E22-H25 PolarHBondContact O-CD2 2.86Å; E22-H25 PolarHBondContact O-N 3.23Å; N23-H25 PolarHBondContact O-N 2.88Å; N23-H25 VanDerWaalsContact O-N 3.07Å |
| 26 | A | 96.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | trans | -65.5 | 150.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | T13 N23 Y29 K50 | T13-A26 CarbonylContact O-C 3.49Å; T13-A26 WeakPolarHBondContact O-CA 3.3Å; N23-A26 WeakPolarHBondContact O-CB 3.45Å; N23-A26 PolarHBondContact O-N 3.48Å; A26-Y29 HydrophobicContact CB-CD1 4.2Å; A26-Y29 HydrophobicContact CB-CE1 3.78Å; A26-K50 WeakPolarHBondContact O-CE 3.41Å; A26-K50 PolarHBondContact O-NZ 3.19Å | ||
| 27 | Q | 97 | Very high | 96.4 | Very high | 39 Ų | 39 | 33.5 Ų | 33.5 | 18% | 0.182 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -93.3 | -28.1 | 175.1 | -63.7 | 174.5 | 3.9 | 0 | 0 | 111.6 | T13 V57 L95 | T13-Q27 PolarHBondContact O-N 3.45Å; Q27-V57 WeakPolarHBondContact O-CG2 3.24Å; Q27-L95 HydrophobicContact CB-CB 4.48Å |
| 28 | A | 98.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 2% | 0.017 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 144.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S15 F30 Y60 L95 | S15-A28 PolarHBondContact N-O 3.23Å; A28-F30 HydrophobicContact CB-CE2 3.83Å; A28-Y60 HydrophobicContact CB-CD2 4.29Å; A28-Y60 HydrophobicContact CB-CE2 3.98Å; A28-L95 HydrophobicContact CB-CD2 3.47Å; A28-L95 VanDerWaalsContact CB-CD2 3.47Å |
| 29 | Y | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 145.8 | 175.6 | -67.4 | -67.4 | 0 | 0 | 0 | 110.6 | S15 F19 N23 L24 A26 L47 K50 V57 R58 L59 Y60 W78 | S15-Y29 CarbonylContact O-C 3.59Å; S15-Y29 WeakPolarHBondContact O-CA 3.2Å; F19-Y29 AromaticContact CD1-CD1 3.57Å; F19-Y29 HydrophobicContact CD1-CD1 3.57Å; F19-Y29 HydrophobicContact CD1-CE1 4.13Å; F19-Y29 HydrophobicContact CD1-CG 4.08Å; F19-Y29 HydrophobicContact CE1-CD1 4.06Å; F19-Y29 HydrophobicContact CE1-CG 4.35Å; N23-Y29 WeakPolarHBondContact O-CE1 3.33Å; N23-Y29 PolarHBondContact O-OH 3.37Å; N23-Y29 VanDerWaalsContact O-OH 3.09Å; L24-Y29 WeakPolarHBondContact CA-OH 3.35Å; A26-Y29 HydrophobicContact CB-CD1 4.2Å; A26-Y29 HydrophobicContact CB-CE1 3.78Å; Y29-L47 HydrophobicContact CE1-CD1 4.34Å; Y29-L47 HydrophobicContact CE2-CD1 3.58Å; Y29-L47 VanDerWaalsContact CZ-CD1 3.48Å; Y29-L47 WeakPolarHBondContact OH-CD1 3.27Å; Y29-K50 HydrophobicContact CE2-CD 4.1Å; Y29-K50 VanDerWaalsContact OH-CD 3.29Å; Y29-K50 WeakPolarHBondContact OH-CD 3.28Å; Y29-K50 WeakPolarHBondContact OH-CE 3.48Å; Y29-V57 HydrophobicContact CD2-CG1 3.67Å; Y29-V57 HydrophobicContact CE2-CG1 3.6Å; Y29-R58 WeakPolarHBondContact CB-O 3.22Å; Y29-R58 PolarHBondContact N-O 3.22Å; Y29-L59 CarbonylContact O-C 3.59Å; Y29-L59 WeakPolarHBondContact O-CA 3.29Å; Y29-Y60 PolarHBondContact O-N 3.35Å; Y29-W78 HydrophobicContact CD2-CH2 4.17Å |
| 30 | F | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 142 | 176.4 | -69.2 | -103.2 | 0 | 0 | 0 | 110 | V14 S15 L16 D17 F19 A28 Y60 I93 V108 F122 F124 | V14-F30 HydrophobicContact CG1-CD2 3.42Å; V14-F30 VanDerWaalsContact CG1-CD2 3.42Å; V14-F30 HydrophobicContact CG1-CE2 3.51Å; S15-F30 PolarHBondContact O-N 2.61Å; L16-F30 HydrophobicContact CD2-CB 3.46Å; L16-F30 VanDerWaalsContact CD2-CB 3.46Å; L16-F30 HydrophobicContact CD2-CG 4.11Å; L16-F30 HydrophobicContact CG-CB 3.94Å; D17-F30 PolarHBondContact N-O 2.86Å; F19-F30 WeakPolarHBondContact CZ-O 3.45Å; A28-F30 HydrophobicContact CB-CE2 3.83Å; F30-Y60 CarbonylContact C-O 3.48Å; F30-Y60 VanDerWaalsContact CA-O 3.27Å; F30-Y60 WeakPolarHBondContact CA-O 3.45Å; F30-Y60 HydrophobicContact CD1-CG 4.38Å; F30-Y60 HydrophobicContact CD2-CD2 4.5Å; F30-Y60 VanDerWaalsContact CE1-CB 3.47Å; F30-Y60 HydrophobicContact CE1-CD2 4.02Å; F30-Y60 AromaticContact CE1-CG 3.91Å; F30-Y60 HydrophobicContact CE1-CG 3.91Å; F30-Y60 AromaticContact CE2-CD2 3.97Å; F30-Y60 HydrophobicContact CE2-CD2 3.97Å; F30-Y60 AromaticContact CZ-CD2 3.7Å; F30-Y60 HydrophobicContact CZ-CD2 3.7Å; F30-Y60 HydrophobicContact CZ-CE2 4.44Å; F30-Y60 HydrophobicContact CZ-CG 4.05Å; F30-I93 HydrophobicContact CE1-CD1 4.07Å; F30-I93 HydrophobicContact CZ-CD1 3.78Å; F30-V108 HydrophobicContact CE1-CB 4.36Å; F30-V108 HydrophobicContact CE1-CG1 3.96Å; F30-V108 HydrophobicContact CE1-CG2 4.05Å; F30-V108 HydrophobicContact CZ-CG2 4Å; F30-F122 HydrophobicContact CB-CD2 4.4Å; F30-F122 HydrophobicContact CB-CE2 3.95Å; F30-F122 HydrophobicContact CB-CZ 4.05Å; F30-F122 AromaticContact CD1-CD1 3.9Å; F30-F122 HydrophobicContact CD1-CD1 3.9Å; F30-F122 AromaticContact CD1-CE1 3.79Å; F30-F122 HydrophobicContact CD1-CE1 3.79Å; F30-F122 HydrophobicContact CD1-CG 4.32Å; F30-F122 HydrophobicContact CD1-CZ 4.1Å; F30-F124 HydrophobicContact CD1-CZ 4.12Å; F30-F124 HydrophobicContact CD2-CE1 4.39Å; F30-F124 HydrophobicContact CD2-CZ 4.15Å; F30-F124 HydrophobicContact CE1-CE1 4.13Å; F30-F124 HydrophobicContact CE1-CZ 4.12Å; F30-F124 AromaticContact CE2-CE1 3.93Å; F30-F124 HydrophobicContact CE2-CE1 3.93Å; F30-F124 HydrophobicContact CE2-CZ 4.14Å; F30-F124 HydrophobicContact CG-CZ 4.16Å; F30-F124 AromaticContact CZ-CE1 3.8Å; F30-F124 HydrophobicContact CZ-CE1 3.8Å; F30-F124 HydrophobicContact CZ-CZ 4.14Å |
| 31 | L | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -128.7 | 113.2 | 174.6 | -178.4 | 68.4 | 0 | 0 | 0 | 110 | D17 F19 H33 H38 M39 L42 L59 Y60 C61 T65 L69 | D17-L31 VanDerWaalsContact OD1-CA 3.32Å; D17-L31 WeakPolarHBondContact OD1-CA 3.4Å; F19-L31 HydrophobicContact CE2-CD1 4.2Å; F19-L31 HydrophobicContact CZ-CB 4.34Å; F19-L31 HydrophobicContact CZ-CD1 4.05Å; L31-H33 WeakPolarHBondContact CD1-O 3.4Å; L31-H38 WeakPolarHBondContact CD1-O 3.32Å; L31-M39 HydrophobicContact CD1-CG 3.96Å; L31-M39 HydrophobicContact CD2-CG 4.47Å; L31-L42 HydrophobicContact CD2-CD2 3.95Å; L31-L59 HydrophobicContact CB-CD1 4.02Å; L31-Y60 PolarHBondContact N-O 3.31Å; L31-C61 HydrophobicContact CB-CB 4.31Å; L31-C61 WeakPolarHBondContact O-CB 3.46Å; L31-T65 HydrophobicContact CB-CG2 4.46Å; L31-T65 HydrophobicContact CD2-CG2 3.8Å; L31-T65 HydrophobicContact CG-CG2 3.99Å; L31-L69 HydrophobicContact CD2-CD1 4.49Å | ||
| 32 | S | 98.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -69 | -43.6 | -179 | 68.8 | 0 | 0 | 0 | 0 | 111.7 | D17 S119 V120 | D17-S32 PolarHBondContact OD1-N 2.81Å; D17-S32 PolarHBondContact OD1-OG 2.7Å; D17-S32 WeakPolarHBondContact OD2-CB 3.38Å; D17-S32 PolarHBondContact OD2-OG 3.47Å; S32-S119 WeakPolarHBondContact O-CA 3.41Å; S32-V120 VanDerWaalsContact CB-O 3.32Å; S32-V120 WeakPolarHBondContact CB-O 3.42Å; S32-V120 PolarHBondContact O-N 2.98Å |
| 33 | H | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -161.4 | 165.3 | -177.4 | 71.3 | -67.2 | 0 | 0 | 0 | 112.7 | L31 H35 H38 H115 | L31-H33 WeakPolarHBondContact CD1-O 3.4Å; H33-H35 AromaticContact CD2-CD2 3.62Å; H33-H35 AromaticContact CD2-CG 3.47Å; H33-H35 VanDerWaalsContact CD2-CG 3.47Å; H33-H35 AromaticContact CD2-ND1 3.87Å; H33-H35 WeakPolarHBondContact NE2-CB 3.22Å; H33-H35 AromaticContact NE2-CE1 3.47Å; H33-H35 PolarHBondContact NE2-CE1 2.61Å; H33-H35 AromaticContact NE2-CG 3.45Å; H33-H35 AromaticContact NE2-ND1 3.61Å; H33-H35 PolarHBondContact O-N 3.42Å; H33-H38 AromaticContact CE1-CD2 3.83Å; H33-H38 AromaticContact CE1-CE1 3.83Å; H33-H38 AromaticContact CE1-CG 3.49Å; H33-H38 VanDerWaalsContact CE1-CG 3.49Å; H33-H38 AromaticContact CE1-ND1 3.49Å; H33-H38 PolarHBondContact CE1-ND1 2.86Å; H33-H115 AromaticContact CD2-CD2 3.62Å; H33-H115 AromaticContact CD2-NE2 3.72Å; H33-H115 AromaticContact NE2-CD2 3.84Å; H33-H115 AromaticContact NE2-NE2 3.58Å |
| 34 | C | 96 | Very high | 96.2 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 4% | 0.041 | 12% | 0.119 | C | C | . | . | trans | -91.6 | 56 | -172.9 | -67.5 | 0 | 0 | 0 | 0 | 115.2 | M39 L68 Y210 | C34-M39 VanDerWaalsContact C-SD 3.54Å; C34-M39 HydrophobicContact CB-SD 4.09Å; C34-L68 HydrophobicContact CB-CB 4.44Å; C34-Y210 HydrophobicContact CB-CD2 4.03Å; C34-Y210 HydrophobicContact CB-CE2 3.66Å; C34-Y210 VanDerWaalsContact O-CD2 3.27Å; C34-Y210 WeakPolarHBondContact O-CD2 2.72Å; C34-Y210 WeakPolarHBondContact O-CE2 3.11Å | ||
| 35 | H | 93.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -105.2 | 146.4 | 171.9 | -77.5 | -161.9 | 0 | 0 | 0 | 112.8 | H33 D37 H38 M39 H115 E449 | H33-H35 AromaticContact CD2-CD2 3.62Å; H33-H35 AromaticContact CD2-CG 3.47Å; H33-H35 VanDerWaalsContact CD2-CG 3.47Å; H33-H35 AromaticContact CD2-ND1 3.87Å; H33-H35 WeakPolarHBondContact NE2-CB 3.22Å; H33-H35 AromaticContact NE2-CE1 3.47Å; H33-H35 PolarHBondContact NE2-CE1 2.61Å; H33-H35 AromaticContact NE2-CG 3.45Å; H33-H35 AromaticContact NE2-ND1 3.61Å; H33-H35 PolarHBondContact O-N 3.42Å; H35-D37 VanDerWaalsContact C-N 3.32Å; H35-D37 PolarHBondContact O-N 2.7Å; H35-H38 CarbonylContact O-C 3.59Å; H35-H38 PolarHBondContact O-N 3.38Å; H35-M39 VanDerWaalsContact O-CG 3.25Å; H35-M39 WeakPolarHBondContact O-CG 3.23Å; H35-M39 PolarHBondContact O-N 3.32Å; H35-H115 AromaticContact CE1-CE1 3.81Å; H35-H115 AromaticContact CE1-NE2 3.29Å; H35-H115 PolarHBondContact CE1-NE2 2.84Å; H35-H115 VanDerWaalsContact CE1-NE2 3.29Å; H35-H115 AromaticContact ND1-NE2 3.42Å; H35-H115 PolarHBondContact ND1-NE2 2.81Å; H35-H115 AromaticContact NE2-CD2 3.74Å; H35-H115 AromaticContact NE2-CE1 3.52Å; H35-H115 AromaticContact NE2-NE2 2.71Å; H35-H115 PolarHBondContact NE2-NE2 3.31Å; H35-E449 VanDerWaalsContact CE1-CG 3.46Å; H35-E449 WeakPolarHBondContact CE1-CG 3.3Å | ||
| 36 | K | 90.6 | Very high | 96.2 | Very high | 66 Ų | 66 | 24.7 Ų | 24.7 | 29% | 0.287 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -54 | -43 | -168.4 | -175.4 | 177.8 | 177.2 | -177.4 | 0 | 112.7 | M39 N451 D454 E455 D456 | K36-M39 PolarHBondContact O-N 3.07Å; K36-N451 WeakPolarHBondContact CB-OD1 3.37Å; K36-N451 PolarHBondContact N-OD1 2.88Å; K36-D454 PolarHBondContact NZ-O 2.87Å; K36-E455 PolarHBondContact NZ-O 2.97Å; K36-E455 VanDerWaalsContact NZ-O 3.07Å; K36-D456 VanDerWaalsContact CE-CG 3.4Å; K36-D456 WeakPolarHBondContact CE-OD2 3.38Å; K36-D456 IonicContact NZ-OD1 2.79Å; K36-D456 IonicContact NZ-OD2 3.82Å; K36-D456 PolarHBondContact NZ-OD2 2.73Å |
| 37 | D | 91.8 | Very high | 96.2 | Very high | 19 Ų | 19 | 24.7 Ų | 24.7 | 10% | 0.102 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -82.2 | -12.4 | -177.2 | 66.1 | -40.6 | 0 | 0 | 0 | 115.2 | M1 H35 | M1-D37 WeakPolarHBondContact CA-OD2 3.43Å; M1-D37 PolarHBondContact N-OD2 3.3Å; H35-D37 VanDerWaalsContact C-N 3.32Å; H35-D37 PolarHBondContact O-N 2.7Å |
| 38 | H | 96.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -92.3 | 3.7 | 166.3 | -72.3 | -114.3 | 0 | 0 | 0 | 112.5 | D17 F19 L31 H33 H35 D136 | D17-H38 CarbonylContact C-O 3.58Å; D17-H38 WeakPolarHBondContact CA-O 3.38Å; D17-H38 HydrophobicContact CB-CB 3.89Å; D17-H38 CarbonylContact O-C 3.56Å; D17-H38 VanDerWaalsContact O-O 3.07Å; D17-H38 IonicContact OD2-CE1 2.69Å; D17-H38 IonicContact OD2-CG 2.71Å; D17-H38 IonicContact OD2-ND1 2.76Å; D17-H38 PolarHBondContact OD2-ND1 2.99Å; F19-H38 WeakPolarHBondContact CE2-O 3.33Å; L31-H38 WeakPolarHBondContact CD1-O 3.32Å; H33-H38 AromaticContact CE1-CD2 3.83Å; H33-H38 AromaticContact CE1-CE1 3.83Å; H33-H38 AromaticContact CE1-CG 3.49Å; H33-H38 VanDerWaalsContact CE1-CG 3.49Å; H33-H38 AromaticContact CE1-ND1 3.49Å; H33-H38 PolarHBondContact CE1-ND1 2.86Å; H35-H38 CarbonylContact O-C 3.59Å; H35-H38 PolarHBondContact O-N 3.38Å; H38-D136 IonicContact CE1-OD1 3.86Å; H38-D136 PolarHBondContact CE1-OD1 2.78Å; H38-D136 IonicContact NE2-OD1 3.69Å; H38-D136 IonicContact NE2-OD2 3.41Å |
| 39 | M | 96.8 | Very high | 96 | Very high | 17 Ų | 17 | 33.6 Ų | 33.6 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -118.2 | 15.7 | 179.3 | -65.5 | 172.6 | 77.8 | 0 | 0 | 112.5 | L31 C34 H35 K36 G41 L42 L69 Y75 | L31-M39 HydrophobicContact CD1-CG 3.96Å; L31-M39 HydrophobicContact CD2-CG 4.47Å; C34-M39 VanDerWaalsContact C-SD 3.54Å; C34-M39 HydrophobicContact CB-SD 4.09Å; H35-M39 VanDerWaalsContact O-CG 3.25Å; H35-M39 WeakPolarHBondContact O-CG 3.23Å; H35-M39 PolarHBondContact O-N 3.32Å; K36-M39 PolarHBondContact O-N 3.07Å; M39-G41 PolarHBondContact O-N 3.32Å; M39-L42 HydrophobicContact CB-CB 4.32Å; M39-L42 HydrophobicContact CB-CD2 4.14Å; M39-L42 HydrophobicContact CE-CD2 3.77Å; M39-L42 HydrophobicContact CG-CD2 4.03Å; M39-L42 WeakPolarHBondContact O-CB 3.33Å; M39-L42 PolarHBondContact O-N 2.91Å; M39-L69 HydrophobicContact CE-CD1 3.56Å; M39-Y75 HydrophobicContact CE-CD1 4.46Å; M39-Y75 HydrophobicContact CE-CD2 4.3Å; M39-Y75 HydrophobicContact CE-CE1 3.97Å; M39-Y75 HydrophobicContact CE-CE2 3.79Å |
| 40 | K | 96.1 | Very high | 95.7 | Very high | 57 Ų | 57 | 35.9 Ų | 35.9 | 25% | 0.248 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -64.2 | 122.5 | -175 | -72.1 | -174.3 | 174 | -167.1 | 0 | 112 | M1 F19 L42 | M1-K40 PolarHBondContact SD-NZ 3.09Å; F19-K40 WeakPolarHBondContact CD2-O 3.24Å; F19-K40 PolarHBondContact N-O 2.81Å; K40-L42 VanDerWaalsContact C-N 3.32Å |
| 41 | G | 96.4 | Very high | 95.5 | Very high | 25 Ų | 25 | 36 Ų | 36 | 26% | 0.258 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -11.9 | -173 | 0 | 0 | 0 | 0 | 0 | 115.3 | M39 K43 G44 L47 | M39-G41 PolarHBondContact O-N 3.32Å; G41-K43 PolarHBondContact O-N 2.97Å; G41-K43 VanDerWaalsContact O-N 3.09Å; G41-G44 PolarHBondContact O-N 2.88Å; G41-L47 WeakPolarHBondContact O-CD2 3.19Å |
| 42 | L | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22.5 | -170 | -171.4 | 65 | 0 | 0 | 0 | 114.1 | F19 L31 M39 K40 L59 L69 Y75 F77 W78 | F19-L42 HydrophobicContact CD1-CD1 3.8Å; F19-L42 HydrophobicContact CD2-CB 3.62Å; F19-L42 HydrophobicContact CD2-CD1 3.86Å; F19-L42 HydrophobicContact CD2-CG 4.24Å; F19-L42 HydrophobicContact CE1-CD1 3.88Å; F19-L42 HydrophobicContact CE2-CB 4.06Å; F19-L42 HydrophobicContact CE2-CD1 3.92Å; F19-L42 HydrophobicContact CE2-CD2 4.35Å; F19-L42 HydrophobicContact CE2-CG 4.33Å; F19-L42 HydrophobicContact CG-CB 4.12Å; F19-L42 HydrophobicContact CG-CD1 3.81Å; F19-L42 HydrophobicContact CZ-CD1 3.94Å; L31-L42 HydrophobicContact CD2-CD2 3.95Å; M39-L42 HydrophobicContact CB-CB 4.32Å; M39-L42 HydrophobicContact CB-CD2 4.14Å; M39-L42 HydrophobicContact CE-CD2 3.77Å; M39-L42 HydrophobicContact CG-CD2 4.03Å; M39-L42 WeakPolarHBondContact O-CB 3.33Å; M39-L42 PolarHBondContact O-N 2.91Å; K40-L42 VanDerWaalsContact C-N 3.32Å; L42-L59 HydrophobicContact CD1-CD2 4.15Å; L42-L69 HydrophobicContact CD2-CD1 3.78Å; L42-Y75 HydrophobicContact CB-CE1 3.96Å; L42-Y75 HydrophobicContact CD2-CD1 4.2Å; L42-Y75 HydrophobicContact CD2-CE1 4.03Å; L42-Y75 HydrophobicContact CG-CD1 4.1Å; L42-Y75 HydrophobicContact CG-CE1 3.95Å; L42-F77 WeakPolarHBondContact O-CZ 3.42Å; L42-W78 HydrophobicContact CD1-CH2 4.46Å; L42-W78 HydrophobicContact CD1-CZ2 3.53Å; L42-W78 PolarHBondContact O-NE1 3.16Å |
| 43 | K | 95.6 | Very high | 94.9 | Very high | 56 Ų | 56 | 50.3 Ų | 50.3 | 24% | 0.243 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -4 | 173.3 | 61.6 | 156.5 | -177.5 | 156.3 | 0 | 114.4 | G41 K48 Y75 D456 D457 | G41-K43 PolarHBondContact O-N 2.97Å; G41-K43 VanDerWaalsContact O-N 3.09Å; K43-K48 VanDerWaalsContact O-CE 3.22Å; K43-K48 WeakPolarHBondContact O-CE 3.36Å; K43-K48 PolarHBondContact O-NZ 3.27Å; K43-Y75 HydrophobicContact CB-CD1 4.39Å; K43-Y75 HydrophobicContact CB-CE1 3.79Å; K43-D456 WeakPolarHBondContact CE-O 3.49Å; K43-D456 PolarHBondContact NZ-O 3.46Å; K43-D457 IonicContact NZ-OD1 3.94Å; K43-D457 PolarHBondContact NZ-OD1 2.85Å |
| 44 | G | 94.9 | Very high | 94.6 | Very high | 17 Ų | 17 | 50.9 Ų | 50.9 | 18% | 0.175 | 25% | 0.25 | C | S | . | . | trans | -69.4 | 150.6 | -160.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G41 L47 K48 | G41-G44 PolarHBondContact O-N 2.88Å; G44-L47 PolarHBondContact O-N 3.31Å; G44-K48 WeakPolarHBondContact O-CG 3.35Å; G44-K48 PolarHBondContact O-N 2.55Å | ||
| 45 | P | 95.1 | Very high | 94.2 | Very high | 105 Ų | 105 | 61 Ų | 61 | 68% | 0.682 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -67.1 | -38.5 | -177.2 | 26.5 | -33.7 | 0 | 0 | 0 | 112.9 | L47 K48 R49 | P45-L47 VanDerWaalsContact C-N 3.33Å; P45-L47 PolarHBondContact O-N 3.24Å; P45-K48 PolarHBondContact O-N 3.22Å; P45-R49 WeakPolarHBondContact O-CB 3.38Å; P45-R49 PolarHBondContact O-N 3.41Å |
| 46 | L | 95.9 | Very high | 94.2 | Very high | 105 Ų | 105 | 63.7 Ų | 63.7 | 55% | 0.55 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 176.7 | -60.9 | 179.6 | 0 | 0 | 0 | 112 | L24 R49 K50 | L24-L46 HydrophobicContact CD1-CB 3.85Å; L24-L46 HydrophobicContact CD1-CD1 3.92Å; L24-L46 HydrophobicContact CD2-CB 4.18Å; L46-R49 WeakPolarHBondContact O-CB 3.24Å; L46-R49 PolarHBondContact O-N 2.72Å; L46-K50 PolarHBondContact O-N 2.95Å |
| 47 | L | 96.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.3 | -45.5 | 177 | -177.6 | 58.1 | 0 | 0 | 0 | 111.6 | F19 L24 Y29 G41 G44 P45 R49 K50 L51 W78 | F19-L47 HydrophobicContact CB-CD2 3.63Å; F19-L47 HydrophobicContact CG-CD2 4.42Å; L24-L47 HydrophobicContact CD2-CB 3.92Å; L24-L47 HydrophobicContact CD2-CD1 4.23Å; Y29-L47 HydrophobicContact CE1-CD1 4.34Å; Y29-L47 HydrophobicContact CE2-CD1 3.58Å; Y29-L47 VanDerWaalsContact CZ-CD1 3.48Å; Y29-L47 WeakPolarHBondContact OH-CD1 3.27Å; G41-L47 WeakPolarHBondContact O-CD2 3.19Å; G44-L47 PolarHBondContact O-N 3.31Å; P45-L47 VanDerWaalsContact C-N 3.33Å; P45-L47 PolarHBondContact O-N 3.24Å; L47-R49 VanDerWaalsContact C-N 3.26Å; L47-R49 PolarHBondContact O-N 2.7Å; L47-K50 HydrophobicContact CD1-CD 4.37Å; L47-K50 WeakPolarHBondContact O-CB 3.36Å; L47-K50 PolarHBondContact O-N 3Å; L47-L51 WeakPolarHBondContact O-CG 3.47Å; L47-L51 PolarHBondContact O-N 2.94Å; L47-L51 VanDerWaalsContact O-N 3.07Å; L47-W78 HydrophobicContact CD2-CH2 4.46Å; L47-W78 HydrophobicContact CD2-CZ2 3.76Å; L47-W78 HydrophobicContact CG-CZ2 4.1Å |
| 48 | K | 95.4 | Very high | 94.8 | Very high | 71 Ų | 71 | 63.7 Ų | 63.7 | 31% | 0.309 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -54.2 | -43.3 | 170.5 | -75.5 | 162.7 | 173.9 | 160.8 | 0 | 111.7 | K43 G44 P45 L51 Q52 F77 | K43-K48 VanDerWaalsContact O-CE 3.22Å; K43-K48 WeakPolarHBondContact O-CE 3.36Å; K43-K48 PolarHBondContact O-NZ 3.27Å; G44-K48 WeakPolarHBondContact O-CG 3.35Å; G44-K48 PolarHBondContact O-N 2.55Å; P45-K48 PolarHBondContact O-N 3.22Å; K48-L51 PolarHBondContact O-N 3.12Å; K48-Q52 WeakPolarHBondContact O-CG 3.27Å; K48-Q52 PolarHBondContact O-N 3.35Å; K48-F77 HydrophobicContact CD-CE1 4.32Å; K48-F77 HydrophobicContact CD-CE2 4.41Å; K48-F77 HydrophobicContact CD-CZ 4.21Å; K48-F77 VanDerWaalsContact CE-CD1 3.42Å; K48-F77 VanDerWaalsContact CE-CZ 3.42Å; K48-F77 HydrophobicContact CG-CD2 3.83Å; K48-F77 HydrophobicContact CG-CE1 4.23Å; K48-F77 HydrophobicContact CG-CE2 3.48Å; K48-F77 VanDerWaalsContact CG-CE2 3.48Å; K48-F77 HydrophobicContact CG-CG 4.32Å; K48-F77 HydrophobicContact CG-CZ 3.69Å |
| 49 | R | 94.9 | Very high | 94.9 | Very high | 158 Ų | 158 | 63.6 Ų | 63.6 | 60% | 0.596 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.8 | -44.8 | 177.1 | -165.2 | 176.5 | -171.3 | 170.3 | 3.4 | 111.8 | P45 L46 L47 L51 Q52 F53 | P45-R49 WeakPolarHBondContact O-CB 3.38Å; P45-R49 PolarHBondContact O-N 3.41Å; L46-R49 WeakPolarHBondContact O-CB 3.24Å; L46-R49 PolarHBondContact O-N 2.72Å; L47-R49 VanDerWaalsContact C-N 3.26Å; L47-R49 PolarHBondContact O-N 2.7Å; R49-L51 VanDerWaalsContact C-N 3.35Å; R49-L51 PolarHBondContact O-N 3.4Å; R49-Q52 PolarHBondContact O-N 3.33Å; R49-F53 HydrophobicContact CG-CD2 4.16Å; R49-F53 HydrophobicContact CG-CE2 3.83Å; R49-F53 WeakPolarHBondContact O-CD2 3.46Å; R49-F53 PolarHBondContact O-N 2.92Å |
| 50 | K | 93.6 | Very high | 95 | Very high | 47 Ų | 47 | 64.1 Ų | 64.1 | 20% | 0.204 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.8 | -48.9 | 174.3 | -179.4 | -157.6 | 174.1 | 68.2 | 0 | 111.5 | L24 A26 Y29 L46 L47 Q52 F53 S54 | L24-K50 VanDerWaalsContact O-CD 3.26Å; L24-K50 WeakPolarHBondContact O-CD 3.26Å; L24-K50 WeakPolarHBondContact O-CE 3.35Å; L24-K50 PolarHBondContact O-NZ 2.93Å; A26-K50 WeakPolarHBondContact O-CE 3.41Å; A26-K50 PolarHBondContact O-NZ 3.19Å; Y29-K50 HydrophobicContact CE2-CD 4.1Å; Y29-K50 VanDerWaalsContact OH-CD 3.29Å; Y29-K50 WeakPolarHBondContact OH-CD 3.28Å; Y29-K50 WeakPolarHBondContact OH-CE 3.48Å; L46-K50 PolarHBondContact O-N 2.95Å; L47-K50 HydrophobicContact CD1-CD 4.37Å; L47-K50 WeakPolarHBondContact O-CB 3.36Å; L47-K50 PolarHBondContact O-N 3Å; K50-Q52 PolarHBondContact O-N 2.82Å; K50-F53 PolarHBondContact O-N 2.8Å; K50-F53 VanDerWaalsContact O-N 3.11Å; K50-S54 WeakPolarHBondContact O-CB 3.39Å; K50-S54 PolarHBondContact O-N 3.35Å |
| 51 | L | 94.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.8 | -30 | -179 | -64.9 | 171.4 | 0 | 0 | 0 | 113 | L47 K48 R49 S54 V57 F77 W78 Y81 | L47-L51 WeakPolarHBondContact O-CG 3.47Å; L47-L51 PolarHBondContact O-N 2.94Å; L47-L51 VanDerWaalsContact O-N 3.07Å; K48-L51 PolarHBondContact O-N 3.12Å; R49-L51 VanDerWaalsContact C-N 3.35Å; R49-L51 PolarHBondContact O-N 3.4Å; L51-S54 VanDerWaalsContact O-O 3.07Å; L51-V57 HydrophobicContact CD2-CG1 4Å; L51-F77 HydrophobicContact CD1-CD2 4.31Å; L51-F77 HydrophobicContact CD1-CE2 3.93Å; L51-W78 HydrophobicContact CD1-CD2 4.38Å; L51-W78 HydrophobicContact CD1-CE3 4.1Å; L51-W78 HydrophobicContact CD1-CH2 3.6Å; L51-W78 HydrophobicContact CD1-CZ2 3.89Å; L51-W78 HydrophobicContact CD1-CZ3 3.68Å; L51-W78 HydrophobicContact CD2-CH2 3.97Å; L51-W78 HydrophobicContact CD2-CZ3 3.85Å; L51-W78 HydrophobicContact CG-CH2 4.29Å; L51-W78 HydrophobicContact CG-CZ3 4.4Å; L51-Y81 HydrophobicContact CB-CD1 4.02Å; L51-Y81 HydrophobicContact CB-CE1 3.81Å; L51-Y81 HydrophobicContact CB-CG 4.49Å; L51-Y81 HydrophobicContact CD1-CD2 4.44Å; L51-Y81 HydrophobicContact CD1-CG 4.33Å; L51-Y81 HydrophobicContact CD2-CD1 3.89Å; L51-Y81 HydrophobicContact CD2-CG 4.2Å; L51-Y81 HydrophobicContact CG-CD1 4.38Å; L51-Y81 VanDerWaalsContact O-CE1 3.28Å; L51-Y81 WeakPolarHBondContact O-CE1 3.43Å |
| 52 | Q | 92.8 | Very high | 95.2 | Very high | 142 Ų | 142 | 60.4 Ų | 60.4 | 66% | 0.664 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -73.4 | -24.5 | 176.6 | -70.5 | 169.8 | -13.4 | 0 | 0 | 113.7 | K48 R49 K50 | K48-Q52 WeakPolarHBondContact O-CG 3.27Å; K48-Q52 PolarHBondContact O-N 3.35Å; R49-Q52 PolarHBondContact O-N 3.33Å; K50-Q52 PolarHBondContact O-N 2.82Å |
| 53 | F | 91.9 | Very high | 95.2 | Very high | 160 Ų | 160 | 65 Ų | 65 | 70% | 0.702 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -99 | -27.6 | 178.8 | -70.5 | -69 | 0 | 0 | 0 | 113.4 | R49 K50 | R49-F53 HydrophobicContact CG-CD2 4.16Å; R49-F53 HydrophobicContact CG-CE2 3.83Å; R49-F53 WeakPolarHBondContact O-CD2 3.46Å; R49-F53 PolarHBondContact O-N 2.92Å; K50-F53 PolarHBondContact O-N 2.8Å; K50-F53 VanDerWaalsContact O-N 3.11Å |
| 54 | S | 91.3 | Very high | 95.2 | Very high | 12 Ų | 12 | 64.6 Ų | 64.6 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | trans | -88.3 | 141.7 | 177.4 | -174.1 | 0 | 0 | 0 | 0 | 112 | K50 L51 V57 E98 | K50-S54 WeakPolarHBondContact O-CB 3.39Å; K50-S54 PolarHBondContact O-N 3.35Å; L51-S54 VanDerWaalsContact O-O 3.07Å; S54-V57 WeakPolarHBondContact OG-CB 3.34Å; S54-V57 WeakPolarHBondContact OG-CG2 3.16Å; S54-V57 PolarHBondContact OG-N 3.06Å; S54-E98 VanDerWaalsContact CA-OE2 3.25Å; S54-E98 WeakPolarHBondContact CA-OE2 3.48Å; S54-E98 WeakPolarHBondContact CB-OE2 3.27Å; S54-E98 VanDerWaalsContact OG-CD 3.28Å; S54-E98 PolarHBondContact OG-OE1 3.28Å; S54-E98 PolarHBondContact OG-OE2 3.32Å | ||
| 55 | R | 88.2 | Confident | 95.4 | Very high | 219 Ų | 219 | 63.8 Ų | 63.8 | 83% | 0.826 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -109.3 | -23.8 | 178 | -52.6 | -172.4 | 76.9 | 96.8 | 2.7 | 112.4 | E98 | R55-E98 PolarHBondContact N-OE1 3.06Š|
| 56 | T | 93.2 | Very high | 95.5 | Very high | 55 Ų | 55 | 60.2 Ų | 60.2 | 34% | 0.337 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -88.2 | -34.7 | -178.8 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | V96 E98 | T56-V96 HydrophobicContact CG2-CB 4.05Å; T56-V96 HydrophobicContact CG2-CG1 4.21Å; T56-V96 HydrophobicContact CG2-CG2 4.41Å; T56-E98 HydrophobicContact CG2-CG 4.06Å; T56-E98 PolarHBondContact N-OE1 2.97Å; T56-E98 VanDerWaalsContact N-OE1 3.16Å; T56-E98 VanDerWaalsContact OG1-CD 3.29Å; T56-E98 WeakPolarHBondContact OG1-CG 3.43Å; T56-E98 PolarHBondContact OG1-OE1 3.04Å |
| 57 | V | 96.3 | Very high | 95.4 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | trans | -64.7 | 133.3 | -171.1 | 171 | 0 | 0 | 0 | 0 | 112.4 | Q27 Y29 L51 S54 | Q27-V57 WeakPolarHBondContact O-CG2 3.24Å; Y29-V57 HydrophobicContact CD2-CG1 3.67Å; Y29-V57 HydrophobicContact CE2-CG1 3.6Å; L51-V57 HydrophobicContact CD2-CG1 4Å; S54-V57 WeakPolarHBondContact OG-CB 3.34Å; S54-V57 WeakPolarHBondContact OG-CG2 3.16Å; S54-V57 PolarHBondContact OG-N 3.06Å | ||
| 58 | R | 97.9 | Very high | 95.3 | Very high | 81 Ų | 81 | 57.8 Ų | 57.8 | 31% | 0.306 | 25% | 0.253 | S | S | . | . | trans | -134.3 | 161.2 | -179.5 | -62.8 | -62.4 | 169.4 | 159.9 | -20.9 | 112.3 | Y29 Y60 E80 Y81 V83 | Y29-R58 WeakPolarHBondContact CB-O 3.22Å; Y29-R58 PolarHBondContact N-O 3.22Å; R58-Y60 HydrophobicContact CB-CD2 4.32Å; R58-Y60 HydrophobicContact CB-CE1 4.46Å; R58-Y60 HydrophobicContact CB-CE2 3.66Å; R58-E80 PolarHBondContact NH1-O 2.87Å; R58-Y81 WeakPolarHBondContact CA-O 3.14Å; R58-Y81 WeakPolarHBondContact CD-O 3.48Å; R58-V83 HydrophobicContact CB-CG2 4.08Å; R58-V83 HydrophobicContact CG-CG2 3.92Å | ||
| 59 | L | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 122.5 | 166.9 | 176.7 | 66.6 | 0 | 0 | 0 | 109.7 | F19 Y29 L31 L42 L69 W78 Y81 V82 V83 | F19-L59 HydrophobicContact CE1-CD1 4.01Å; F19-L59 HydrophobicContact CZ-CD1 4.48Å; Y29-L59 CarbonylContact O-C 3.59Å; Y29-L59 WeakPolarHBondContact O-CA 3.29Å; L31-L59 HydrophobicContact CB-CD1 4.02Å; L42-L59 HydrophobicContact CD1-CD2 4.15Å; L59-L69 HydrophobicContact CD2-CD2 3.7Å; L59-W78 HydrophobicContact CB-CD2 4.46Å; L59-W78 HydrophobicContact CB-CE3 3.6Å; L59-W78 HydrophobicContact CB-CH2 4.11Å; L59-W78 HydrophobicContact CB-CZ3 3.42Å; L59-W78 VanDerWaalsContact CB-CZ3 3.42Å; L59-W78 HydrophobicContact CD2-CD2 3.82Å; L59-W78 HydrophobicContact CD2-CE3 3.8Å; L59-W78 HydrophobicContact CD2-CG 4.29Å; L59-W78 HydrophobicContact CD2-CZ3 4.19Å; L59-W78 HydrophobicContact CG-CE3 4.36Å; L59-W78 HydrophobicContact CG-CZ3 4.37Å; L59-Y81 PolarHBondContact N-O 3.03Å; L59-V82 HydrophobicContact CB-CB 4.47Å; L59-V82 HydrophobicContact CB-CG2 4.41Å; L59-V82 HydrophobicContact CD2-CG2 4.23Å; L59-V82 HydrophobicContact CG-CG2 4.29Å; L59-V82 CarbonylContact O-C 3.58Å; L59-V82 VanDerWaalsContact O-CA 3.31Å; L59-V82 WeakPolarHBondContact O-CA 3.17Å; L59-V83 PolarHBondContact O-N 3.01Å |
| 60 | Y | 98.9 | Very high | 95.3 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 11% | 0.11 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 133.3 | -179.6 | -63.6 | -81.9 | 0 | 0 | 0 | 111 | A28 Y29 F30 L31 R58 V83 L85 I93 | A28-Y60 HydrophobicContact CB-CD2 4.29Å; A28-Y60 HydrophobicContact CB-CE2 3.98Å; Y29-Y60 PolarHBondContact O-N 3.35Å; F30-Y60 CarbonylContact C-O 3.48Å; F30-Y60 VanDerWaalsContact CA-O 3.27Å; F30-Y60 WeakPolarHBondContact CA-O 3.45Å; F30-Y60 HydrophobicContact CD1-CG 4.38Å; F30-Y60 HydrophobicContact CD2-CD2 4.5Å; F30-Y60 VanDerWaalsContact CE1-CB 3.47Å; F30-Y60 HydrophobicContact CE1-CD2 4.02Å; F30-Y60 AromaticContact CE1-CG 3.91Å; F30-Y60 HydrophobicContact CE1-CG 3.91Å; F30-Y60 AromaticContact CE2-CD2 3.97Å; F30-Y60 HydrophobicContact CE2-CD2 3.97Å; F30-Y60 AromaticContact CZ-CD2 3.7Å; F30-Y60 HydrophobicContact CZ-CD2 3.7Å; F30-Y60 HydrophobicContact CZ-CE2 4.44Å; F30-Y60 HydrophobicContact CZ-CG 4.05Å; L31-Y60 PolarHBondContact N-O 3.31Å; R58-Y60 HydrophobicContact CB-CD2 4.32Å; R58-Y60 HydrophobicContact CB-CE1 4.46Å; R58-Y60 HydrophobicContact CB-CE2 3.66Å; Y60-V83 WeakPolarHBondContact CA-O 3.34Å; Y60-V83 HydrophobicContact CD1-CB 3.77Å; Y60-V83 HydrophobicContact CD1-CG1 3.99Å; Y60-V83 HydrophobicContact CE1-CB 3.72Å; Y60-V83 HydrophobicContact CE1-CG1 3.78Å; Y60-V83 HydrophobicContact CE1-CG2 4.23Å; Y60-L85 HydrophobicContact CD1-CD1 3.83Å; Y60-L85 HydrophobicContact CD1-CD2 4.03Å; Y60-L85 HydrophobicContact CD1-CG 3.98Å; Y60-L85 HydrophobicContact CG-CD1 4.21Å; Y60-I93 HydrophobicContact CD1-CD1 3.79Å; Y60-I93 HydrophobicContact CD2-CD1 4.13Å; Y60-I93 HydrophobicContact CE1-CD1 3.67Å; Y60-I93 HydrophobicContact CE1-CG1 4.02Å; Y60-I93 HydrophobicContact CE2-CD1 4.05Å; Y60-I93 HydrophobicContact CE2-CG2 3.97Å; Y60-I93 HydrophobicContact CG-CD1 4.01Å |
| 61 | C | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 176.6 | 179.7 | 60.7 | 0 | 0 | 0 | 0 | 110.6 | L31 T65 P84 L85 | L31-C61 HydrophobicContact CB-CB 4.31Å; L31-C61 WeakPolarHBondContact O-CB 3.46Å; C61-T65 HydrophobicContact CB-CG2 3.61Å; C61-P84 CarbonylContact O-C 3.36Å; C61-P84 WeakPolarHBondContact O-CA 3.42Å; C61-L85 PolarHBondContact O-N 3.19Å |
| 62 | S | 98.5 | Very high | 95.1 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.028 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 158.3 | 170.9 | 72.6 | 0 | 0 | 0 | 0 | 111.8 | V64 T65 K66 G118 | S62-V64 VanDerWaalsContact C-N 3.29Å; S62-V64 PolarHBondContact O-N 2.83Å; S62-T65 PolarHBondContact O-N 3.25Å; S62-T65 VanDerWaalsContact O-N 3.13Å; S62-T65 WeakPolarHBondContact OG-CB 3.39Å; S62-T65 PolarHBondContact OG-N 3.37Å; S62-T65 VanDerWaalsContact OG-N 3.14Å; S62-T65 PolarHBondContact OG-OG1 2.89Å; S62-T65 VanDerWaalsContact OG-OG1 3.08Å; S62-K66 PolarHBondContact O-N 3.03Å; S62-G118 WeakPolarHBondContact CB-O 3.44Å; S62-G118 VanDerWaalsContact OG-CA 3.29Å; S62-G118 WeakPolarHBondContact OG-CA 3.46Å; S62-G118 PolarHBondContact OG-O 3.46Å |
| 63 | F | 97.1 | Very high | 95 | Very high | 97 Ų | 97 | 49.8 Ų | 49.8 | 43% | 0.425 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -52.8 | -43.8 | 173.8 | -79.1 | -84.5 | 0 | 0 | 0 | 113.1 | K66 E67 P84 E86 | F63-K66 WeakPolarHBondContact O-CB 3.19Å; F63-K66 PolarHBondContact O-N 2.97Å; F63-E67 WeakPolarHBondContact O-CG 3.3Å; F63-E67 PolarHBondContact O-N 2.89Å; F63-E67 VanDerWaalsContact O-N 3.07Å; F63-P84 HydrophobicContact CB-CB 4.48Å; F63-P84 HydrophobicContact CD1-CB 3.55Å; F63-P84 HydrophobicContact CD1-CG 3.76Å; F63-P84 HydrophobicContact CD2-CB 4.19Å; F63-P84 HydrophobicContact CE1-CB 3.68Å; F63-P84 HydrophobicContact CE1-CG 3.45Å; F63-P84 VanDerWaalsContact CE1-CG 3.45Å; F63-P84 HydrophobicContact CE2-CB 4.3Å; F63-P84 HydrophobicContact CG-CB 3.82Å; F63-P84 HydrophobicContact CG-CG 4.49Å; F63-P84 HydrophobicContact CZ-CB 4.06Å; F63-P84 HydrophobicContact CZ-CG 3.96Å; F63-E86 HydrophobicContact CE2-CB 4.28Å; F63-E86 WeakPolarHBondContact CE2-OE2 3.12Å |
| 64 | V | 96.1 | Very high | 95.1 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 29% | 0.285 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66 | -41.3 | 178.2 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | S62 K66 E67 L68 P117 M238 | S62-V64 VanDerWaalsContact C-N 3.29Å; S62-V64 PolarHBondContact O-N 2.83Å; V64-K66 VanDerWaalsContact C-N 3.34Å; V64-K66 PolarHBondContact O-N 2.68Å; V64-E67 PolarHBondContact O-N 3.19Å; V64-L68 HydrophobicContact CG1-CD1 4Å; V64-L68 HydrophobicContact CG1-CG 4.26Å; V64-L68 WeakPolarHBondContact O-CB 3.48Å; V64-L68 WeakPolarHBondContact O-CG 3.38Å; V64-L68 PolarHBondContact O-N 3.31Å; V64-P117 HydrophobicContact CG1-CB 3.93Å; V64-M238 HydrophobicContact CG1-CE 4.44Å; V64-M238 HydrophobicContact CG1-SD 3.64Å; V64-M238 HydrophobicContact CG2-SD 4.37Å |
| 65 | T | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.7 | -36.9 | 175.4 | -66.3 | 0 | 0 | 0 | 0 | 111.7 | L31 C61 S62 L69 G118 | L31-T65 HydrophobicContact CB-CG2 4.46Å; L31-T65 HydrophobicContact CD2-CG2 3.8Å; L31-T65 HydrophobicContact CG-CG2 3.99Å; C61-T65 HydrophobicContact CB-CG2 3.61Å; S62-T65 PolarHBondContact O-N 3.25Å; S62-T65 VanDerWaalsContact O-N 3.13Å; S62-T65 WeakPolarHBondContact OG-CB 3.39Å; S62-T65 PolarHBondContact OG-N 3.37Å; S62-T65 VanDerWaalsContact OG-N 3.14Å; S62-T65 PolarHBondContact OG-OG1 2.89Å; S62-T65 VanDerWaalsContact OG-OG1 3.08Å; T65-L69 WeakPolarHBondContact O-CB 3.47Å; T65-L69 PolarHBondContact O-N 2.84Å; T65-G118 PolarHBondContact OG1-O 3.12Å |
| 66 | K | 97.4 | Very high | 95.7 | Very high | 29 Ų | 29 | 40 Ų | 40 | 13% | 0.126 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.9 | -49.4 | 170.4 | 170.4 | 172.3 | 175.6 | 144 | 0 | 111.5 | S62 F63 V64 L69 L70 E79 V82 P84 | S62-K66 PolarHBondContact O-N 3.03Å; F63-K66 WeakPolarHBondContact O-CB 3.19Å; F63-K66 PolarHBondContact O-N 2.97Å; V64-K66 VanDerWaalsContact C-N 3.34Å; V64-K66 PolarHBondContact O-N 2.68Å; K66-L69 PolarHBondContact O-N 2.97Å; K66-L70 HydrophobicContact CD-CD1 4.25Å; K66-L70 VanDerWaalsContact CE-CD1 3.49Å; K66-L70 HydrophobicContact CG-CD1 3.7Å; K66-L70 HydrophobicContact CG-CG 4.49Å; K66-L70 WeakPolarHBondContact O-CG 3.31Å; K66-L70 PolarHBondContact O-N 2.95Å; K66-E79 WeakPolarHBondContact CE-OE1 3.23Å; K66-E79 IonicContact NZ-OE1 3.27Å; K66-E79 PolarHBondContact NZ-OE1 2.57Å; K66-V82 HydrophobicContact CB-CG2 4.32Å; K66-V82 HydrophobicContact CD-CG1 3.8Å; K66-V82 HydrophobicContact CD-CG2 4.44Å; K66-V82 HydrophobicContact CG-CG1 3.97Å; K66-V82 HydrophobicContact CG-CG2 4.29Å; K66-P84 HydrophobicContact CB-CB 4.33Å; K66-P84 HydrophobicContact CD-CB 4.12Å; K66-P84 HydrophobicContact CD-CG 3.88Å |
| 67 | E | 94.7 | Very high | 95.8 | Very high | 53 Ų | 53 | 40.2 Ų | 40.2 | 25% | 0.248 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.1 | -34.8 | -175 | -66.6 | -64.2 | 179.7 | 0 | 0 | 113.1 | F63 V64 N71 K237 | F63-E67 WeakPolarHBondContact O-CG 3.3Å; F63-E67 PolarHBondContact O-N 2.89Å; F63-E67 VanDerWaalsContact O-N 3.07Å; V64-E67 PolarHBondContact O-N 3.19Å; E67-N71 PolarHBondContact O-N 3.19Å; E67-K237 HydrophobicContact CG-CD 4.06Å; E67-K237 WeakPolarHBondContact OE1-CD 3.49Å; E67-K237 IonicContact OE1-NZ 2.66Å; E67-K237 PolarHBondContact OE1-NZ 2.85Å; E67-K237 VanDerWaalsContact OE2-CD 3.23Å; E67-K237 WeakPolarHBondContact OE2-CD 3.31Å; E67-K237 WeakPolarHBondContact OE2-CE 3.48Å; E67-K237 IonicContact OE2-NZ 3.25Å; E67-K237 PolarHBondContact OE2-NZ 3.41Å |
| 68 | L | 93.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.3 | -43 | 172.5 | -72.6 | -178.2 | 0 | 0 | 0 | 112.3 | C34 V64 N71 P117 Y210 M234 M238 | C34-L68 HydrophobicContact CB-CB 4.44Å; V64-L68 HydrophobicContact CG1-CD1 4Å; V64-L68 HydrophobicContact CG1-CG 4.26Å; V64-L68 WeakPolarHBondContact O-CB 3.48Å; V64-L68 WeakPolarHBondContact O-CG 3.38Å; V64-L68 PolarHBondContact O-N 3.31Å; L68-N71 PolarHBondContact O-N 2.87Å; L68-P117 HydrophobicContact CD1-CB 4.46Å; L68-Y210 HydrophobicContact CB-CE1 4.47Å; L68-Y210 HydrophobicContact CD1-CD1 3.89Å; L68-Y210 HydrophobicContact CD1-CE1 3.78Å; L68-Y210 HydrophobicContact CD1-CG 4.33Å; L68-Y210 HydrophobicContact CD2-CD1 4.2Å; L68-Y210 HydrophobicContact CD2-CE1 3.42Å; L68-Y210 VanDerWaalsContact CD2-CE1 3.42Å; L68-Y210 HydrophobicContact CG-CE1 4.08Å; L68-M234 HydrophobicContact CD2-CB 4.09Å; L68-M238 HydrophobicContact CD2-CE 3.6Å; L68-M238 HydrophobicContact CG-CE 4.14Å |
| 69 | L | 95.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.8 | -51.7 | 177 | 177.6 | 68 | 0 | 0 | 0 | 111.4 | L31 M39 L42 L59 T65 K66 N71 N72 Y75 W78 | L31-L69 HydrophobicContact CD2-CD1 4.49Å; M39-L69 HydrophobicContact CE-CD1 3.56Å; L42-L69 HydrophobicContact CD2-CD1 3.78Å; L59-L69 HydrophobicContact CD2-CD2 3.7Å; T65-L69 WeakPolarHBondContact O-CB 3.47Å; T65-L69 PolarHBondContact O-N 2.84Å; K66-L69 PolarHBondContact O-N 2.97Å; L69-N71 VanDerWaalsContact C-N 3.29Å; L69-N71 PolarHBondContact O-N 3.36Å; L69-N72 PolarHBondContact O-N 2.86Å; L69-Y75 HydrophobicContact CD1-CD1 3.77Å; L69-Y75 HydrophobicContact CD1-CD2 4.11Å; L69-Y75 HydrophobicContact CD1-CE1 4.46Å; L69-Y75 HydrophobicContact CD1-CG 3.57Å; L69-Y75 HydrophobicContact CG-CG 4.47Å; L69-W78 HydrophobicContact CD2-CB 4.27Å; L69-W78 HydrophobicContact CD2-CG 4.37Å |
| 70 | L | 95.3 | Very high | 95.6 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 14% | 0.136 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -77.4 | -12.9 | -173.8 | -64.7 | 173.2 | 0 | 0 | 0 | 113.9 | K66 N72 W78 E79 V82 | K66-L70 HydrophobicContact CD-CD1 4.25Å; K66-L70 VanDerWaalsContact CE-CD1 3.49Å; K66-L70 HydrophobicContact CG-CD1 3.7Å; K66-L70 HydrophobicContact CG-CG 4.49Å; K66-L70 WeakPolarHBondContact O-CG 3.31Å; K66-L70 PolarHBondContact O-N 2.95Å; L70-N72 PolarHBondContact O-N 2.8Å; L70-W78 HydrophobicContact CD2-CB 4.11Å; L70-E79 HydrophobicContact CD1-CB 4.39Å; L70-E79 HydrophobicContact CD2-CB 4.17Å; L70-V82 HydrophobicContact CD1-CG1 4.04Å |
| 71 | N | 91.3 | Very high | 95.6 | Very high | 59 Ų | 59 | 48.7 Ų | 48.7 | 32% | 0.316 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.4 | -27.5 | 170.7 | -143.3 | -96.8 | 0 | 0 | 0 | 112.6 | E67 L68 L69 P73 A233 M234 | E67-N71 PolarHBondContact O-N 3.19Å; L68-N71 PolarHBondContact O-N 2.87Å; L69-N71 VanDerWaalsContact C-N 3.29Å; L69-N71 PolarHBondContact O-N 3.36Å; N71-P73 WeakPolarHBondContact O-CD 3.21Å; N71-A233 PolarHBondContact ND2-O 3.25Å; N71-A233 WeakPolarHBondContact OD1-CB 3.39Å; N71-A233 PolarHBondContact OD1-O 3.07Å; N71-M234 WeakPolarHBondContact OD1-CA 3.34Å; N71-M234 PolarHBondContact OD1-N 3.29Å; N71-M234 VanDerWaalsContact OD1-N 3.1Å |
| 72 | N | 90.9 | Very high | 95.5 | Very high | 52 Ų | 52 | 49 Ų | 49 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -91.9 | 115.8 | 179.8 | -177.1 | -25.5 | 0 | 0 | 0 | 110.4 | L69 L70 K74 Y75 | L69-N72 PolarHBondContact O-N 2.86Å; L70-N72 PolarHBondContact O-N 2.8Å; N72-K74 PolarHBondContact O-N 2.72Å; N72-K74 VanDerWaalsContact OD1-CB 3.29Å; N72-K74 WeakPolarHBondContact OD1-CB 3.44Å; N72-K74 WeakPolarHBondContact OD1-CG 3.16Å; N72-K74 PolarHBondContact OD1-N 2.8Å; N72-Y75 HydrophobicContact CB-CD2 4.01Å; N72-Y75 PolarHBondContact O-N 3.26Å |
| 73 | P | 91.9 | Very high | 95.5 | Very high | 113 Ų | 113 | 51 Ų | 51 | 73% | 0.734 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -57.1 | -24.1 | -178.3 | -27.1 | 36.1 | 0 | 0 | 0 | 114.9 | N71 Y75 A76 | N71-P73 WeakPolarHBondContact O-CD 3.21Å; P73-Y75 PolarHBondContact O-N 3.02Å; P73-Y75 VanDerWaalsContact O-N 3.14Å; P73-A76 PolarHBondContact O-N 3.13Å |
| 74 | K | 93.8 | Very high | 95.6 | Very high | 107 Ų | 107 | 48 Ų | 48 | 47% | 0.465 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -60.8 | -20.5 | 175.7 | -61.2 | 179.7 | 178.5 | 178.5 | 0 | 112.1 | N72 D454 | N72-K74 PolarHBondContact O-N 2.72Å; N72-K74 VanDerWaalsContact OD1-CB 3.29Å; N72-K74 WeakPolarHBondContact OD1-CB 3.44Å; N72-K74 WeakPolarHBondContact OD1-CG 3.16Å; N72-K74 PolarHBondContact OD1-N 2.8Å; K74-D454 IonicContact NZ-OD1 2.66Å; K74-D454 PolarHBondContact NZ-OD1 3.46Å |
| 75 | Y | 96.5 | Very high | 95.7 | Very high | 31 Ų | 31 | 46.1 Ų | 46.1 | 12% | 0.122 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -116.2 | -0.2 | -179.2 | -59.6 | -80 | 0 | 0 | 0 | 115.2 | M39 L42 K43 L69 N72 P73 F77 W78 | M39-Y75 HydrophobicContact CE-CD1 4.46Å; M39-Y75 HydrophobicContact CE-CD2 4.3Å; M39-Y75 HydrophobicContact CE-CE1 3.97Å; M39-Y75 HydrophobicContact CE-CE2 3.79Å; L42-Y75 HydrophobicContact CB-CE1 3.96Å; L42-Y75 HydrophobicContact CD2-CD1 4.2Å; L42-Y75 HydrophobicContact CD2-CE1 4.03Å; L42-Y75 HydrophobicContact CG-CD1 4.1Å; L42-Y75 HydrophobicContact CG-CE1 3.95Å; K43-Y75 HydrophobicContact CB-CD1 4.39Å; K43-Y75 HydrophobicContact CB-CE1 3.79Å; L69-Y75 HydrophobicContact CD1-CD1 3.77Å; L69-Y75 HydrophobicContact CD1-CD2 4.11Å; L69-Y75 HydrophobicContact CD1-CE1 4.46Å; L69-Y75 HydrophobicContact CD1-CG 3.57Å; L69-Y75 HydrophobicContact CG-CG 4.47Å; N72-Y75 HydrophobicContact CB-CD2 4.01Å; N72-Y75 PolarHBondContact O-N 3.26Å; P73-Y75 PolarHBondContact O-N 3.02Å; P73-Y75 VanDerWaalsContact O-N 3.14Å; Y75-F77 PolarHBondContact O-N 3.04Å; Y75-W78 WeakPolarHBondContact O-CB 3.47Å; Y75-W78 PolarHBondContact O-N 3.07Å |
| 76 | A | 95.3 | Very high | 95.7 | Very high | 49 Ų | 49 | 51 Ų | 51 | 41% | 0.405 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -57.2 | -23 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | P73 W78 E79 | P73-A76 PolarHBondContact O-N 3.13Å; A76-W78 PolarHBondContact O-N 2.93Å; A76-W78 VanDerWaalsContact O-N 3.17Å; A76-E79 PolarHBondContact O-N 3.17Å |
| 77 | F | 95.4 | Very high | 95.8 | Very high | 59 Ų | 59 | 53.4 Ų | 53.4 | 26% | 0.259 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -62.4 | -15.9 | 173.8 | 73.2 | -85.8 | 0 | 0 | 0 | 114.1 | L42 K48 L51 Y75 E79 Y81 | L42-F77 WeakPolarHBondContact O-CZ 3.42Å; K48-F77 HydrophobicContact CD-CE1 4.32Å; K48-F77 HydrophobicContact CD-CE2 4.41Å; K48-F77 HydrophobicContact CD-CZ 4.21Å; K48-F77 VanDerWaalsContact CE-CD1 3.42Å; K48-F77 VanDerWaalsContact CE-CZ 3.42Å; K48-F77 HydrophobicContact CG-CD2 3.83Å; K48-F77 HydrophobicContact CG-CE1 4.23Å; K48-F77 HydrophobicContact CG-CE2 3.48Å; K48-F77 VanDerWaalsContact CG-CE2 3.48Å; K48-F77 HydrophobicContact CG-CG 4.32Å; K48-F77 HydrophobicContact CG-CZ 3.69Å; L51-F77 HydrophobicContact CD1-CD2 4.31Å; L51-F77 HydrophobicContact CD1-CE2 3.93Å; Y75-F77 PolarHBondContact O-N 3.04Å; F77-E79 VanDerWaalsContact C-N 3.32Å; F77-Y81 WeakPolarHBondContact O-CD2 3.17Å |
| 78 | W | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -74.1 | -15.2 | 176.9 | -83.1 | 107.5 | 0 | 0 | 0 | 114.1 | Y29 L42 L47 L51 L59 L69 L70 Y75 A76 E80 Y81 V82 | Y29-W78 HydrophobicContact CD2-CH2 4.17Å; L42-W78 HydrophobicContact CD1-CH2 4.46Å; L42-W78 HydrophobicContact CD1-CZ2 3.53Å; L42-W78 PolarHBondContact O-NE1 3.16Å; L47-W78 HydrophobicContact CD2-CH2 4.46Å; L47-W78 HydrophobicContact CD2-CZ2 3.76Å; L47-W78 HydrophobicContact CG-CZ2 4.1Å; L51-W78 HydrophobicContact CD1-CD2 4.38Å; L51-W78 HydrophobicContact CD1-CE3 4.1Å; L51-W78 HydrophobicContact CD1-CH2 3.6Å; L51-W78 HydrophobicContact CD1-CZ2 3.89Å; L51-W78 HydrophobicContact CD1-CZ3 3.68Å; L51-W78 HydrophobicContact CD2-CH2 3.97Å; L51-W78 HydrophobicContact CD2-CZ3 3.85Å; L51-W78 HydrophobicContact CG-CH2 4.29Å; L51-W78 HydrophobicContact CG-CZ3 4.4Å; L59-W78 HydrophobicContact CB-CD2 4.46Å; L59-W78 HydrophobicContact CB-CE3 3.6Å; L59-W78 HydrophobicContact CB-CH2 4.11Å; L59-W78 HydrophobicContact CB-CZ3 3.42Å; L59-W78 VanDerWaalsContact CB-CZ3 3.42Å; L59-W78 HydrophobicContact CD2-CD2 3.82Å; L59-W78 HydrophobicContact CD2-CE3 3.8Å; L59-W78 HydrophobicContact CD2-CG 4.29Å; L59-W78 HydrophobicContact CD2-CZ3 4.19Å; L59-W78 HydrophobicContact CG-CE3 4.36Å; L59-W78 HydrophobicContact CG-CZ3 4.37Å; L69-W78 HydrophobicContact CD2-CB 4.27Å; L69-W78 HydrophobicContact CD2-CG 4.37Å; L70-W78 HydrophobicContact CD2-CB 4.11Å; Y75-W78 WeakPolarHBondContact O-CB 3.47Å; Y75-W78 PolarHBondContact O-N 3.07Å; A76-W78 PolarHBondContact O-N 2.93Å; A76-W78 VanDerWaalsContact O-N 3.17Å; W78-E80 VanDerWaalsContact C-N 3.27Å; W78-E80 PolarHBondContact O-N 3.24Å; W78-E80 VanDerWaalsContact O-N 3.15Å; W78-Y81 CarbonylContact O-C 3.5Å; W78-Y81 PolarHBondContact O-N 3.16Å; W78-V82 WeakPolarHBondContact O-CB 3.32Å; W78-V82 VanDerWaalsContact O-CG1 3.27Å; W78-V82 WeakPolarHBondContact O-CG1 3.49Å; W78-V82 PolarHBondContact O-N 2.64Å |
| 79 | E | 96.4 | Very high | 96.1 | Very high | 101 Ų | 101 | 57 Ų | 57 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -43 | -174.4 | -178.6 | 69.2 | -91.2 | 0 | 0 | 113.2 | K66 L70 A76 F77 Y81 | K66-E79 WeakPolarHBondContact CE-OE1 3.23Å; K66-E79 IonicContact NZ-OE1 3.27Å; K66-E79 PolarHBondContact NZ-OE1 2.57Å; L70-E79 HydrophobicContact CD1-CB 4.39Å; L70-E79 HydrophobicContact CD2-CB 4.17Å; A76-E79 PolarHBondContact O-N 3.17Å; F77-E79 VanDerWaalsContact C-N 3.32Å; E79-Y81 VanDerWaalsContact C-N 3.31Å; E79-Y81 PolarHBondContact O-N 3.11Å |
| 80 | E | 95.4 | Very high | 96.2 | Very high | 145 Ų | 145 | 60.1 Ų | 60.1 | 68% | 0.678 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -15.8 | -179.2 | -59.5 | -176 | 154 | 0 | 0 | 114 | R58 W78 | R58-E80 PolarHBondContact NH1-O 2.87Å; W78-E80 VanDerWaalsContact C-N 3.27Å; W78-E80 PolarHBondContact O-N 3.24Å; W78-E80 VanDerWaalsContact O-N 3.15Å |
| 81 | Y | 97.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 60.8 Ų | 60.8 | 18% | 0.18 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -16.2 | -170.6 | -54.1 | -90.3 | 0 | 0 | 0 | 113.4 | L51 R58 L59 F77 W78 E79 | L51-Y81 HydrophobicContact CB-CD1 4.02Å; L51-Y81 HydrophobicContact CB-CE1 3.81Å; L51-Y81 HydrophobicContact CB-CG 4.49Å; L51-Y81 HydrophobicContact CD1-CD2 4.44Å; L51-Y81 HydrophobicContact CD1-CG 4.33Å; L51-Y81 HydrophobicContact CD2-CD1 3.89Å; L51-Y81 HydrophobicContact CD2-CG 4.2Å; L51-Y81 HydrophobicContact CG-CD1 4.38Å; L51-Y81 VanDerWaalsContact O-CE1 3.28Å; L51-Y81 WeakPolarHBondContact O-CE1 3.43Å; R58-Y81 WeakPolarHBondContact CA-O 3.14Å; R58-Y81 WeakPolarHBondContact CD-O 3.48Å; L59-Y81 PolarHBondContact N-O 3.03Å; F77-Y81 WeakPolarHBondContact O-CD2 3.17Å; W78-Y81 CarbonylContact O-C 3.5Å; W78-Y81 PolarHBondContact O-N 3.16Å; E79-Y81 VanDerWaalsContact C-N 3.31Å; E79-Y81 PolarHBondContact O-N 3.11Å |
| 82 | V | 98.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 64.3 Ų | 64.3 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 125.1 | -179.4 | 68 | 0 | 0 | 0 | 0 | 111.8 | L59 K66 L70 W78 | L59-V82 HydrophobicContact CB-CB 4.47Å; L59-V82 HydrophobicContact CB-CG2 4.41Å; L59-V82 HydrophobicContact CD2-CG2 4.23Å; L59-V82 HydrophobicContact CG-CG2 4.29Å; L59-V82 CarbonylContact O-C 3.58Å; L59-V82 VanDerWaalsContact O-CA 3.31Å; L59-V82 WeakPolarHBondContact O-CA 3.17Å; K66-V82 HydrophobicContact CB-CG2 4.32Å; K66-V82 HydrophobicContact CD-CG1 3.8Å; K66-V82 HydrophobicContact CD-CG2 4.44Å; K66-V82 HydrophobicContact CG-CG1 3.97Å; K66-V82 HydrophobicContact CG-CG2 4.29Å; L70-V82 HydrophobicContact CD1-CG1 4.04Å; W78-V82 WeakPolarHBondContact O-CB 3.32Å; W78-V82 VanDerWaalsContact O-CG1 3.27Å; W78-V82 WeakPolarHBondContact O-CG1 3.49Å; W78-V82 PolarHBondContact O-N 2.64Å |
| 83 | V | 98.4 | Very high | 97.1 | Very high | 46 Ų | 46 | 62.1 Ų | 62.1 | 28% | 0.279 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 104.1 | 179.1 | -179.2 | 0 | 0 | 0 | 0 | 107.7 | R58 L59 Y60 L85 | R58-V83 HydrophobicContact CB-CG2 4.08Å; R58-V83 HydrophobicContact CG-CG2 3.92Å; L59-V83 PolarHBondContact O-N 3.01Å; Y60-V83 WeakPolarHBondContact CA-O 3.34Å; Y60-V83 HydrophobicContact CD1-CB 3.77Å; Y60-V83 HydrophobicContact CD1-CG1 3.99Å; Y60-V83 HydrophobicContact CE1-CB 3.72Å; Y60-V83 HydrophobicContact CE1-CG1 3.78Å; Y60-V83 HydrophobicContact CE1-CG2 4.23Å; V83-L85 HydrophobicContact CG1-CD2 4.4Å |
| 84 | P | 98.3 | Very high | 97.3 | Very high | 32 Ų | 32 | 59.5 Ų | 59.5 | 21% | 0.208 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 140.5 | 174.7 | 31.7 | -33.2 | 0 | 0 | 0 | 109.4 | C61 F63 K66 | C61-P84 CarbonylContact O-C 3.36Å; C61-P84 WeakPolarHBondContact O-CA 3.42Å; F63-P84 HydrophobicContact CB-CB 4.48Å; F63-P84 HydrophobicContact CD1-CB 3.55Å; F63-P84 HydrophobicContact CD1-CG 3.76Å; F63-P84 HydrophobicContact CD2-CB 4.19Å; F63-P84 HydrophobicContact CE1-CB 3.68Å; F63-P84 HydrophobicContact CE1-CG 3.45Å; F63-P84 VanDerWaalsContact CE1-CG 3.45Å; F63-P84 HydrophobicContact CE2-CB 4.3Å; F63-P84 HydrophobicContact CG-CB 3.82Å; F63-P84 HydrophobicContact CG-CG 4.49Å; F63-P84 HydrophobicContact CZ-CB 4.06Å; F63-P84 HydrophobicContact CZ-CG 3.96Å; K66-P84 HydrophobicContact CB-CB 4.33Å; K66-P84 HydrophobicContact CD-CB 4.12Å; K66-P84 HydrophobicContact CD-CG 3.88Å |
| 85 | L | 98.6 | Very high | 97.4 | Very high | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 145.7 | 175.7 | -62.4 | 179.4 | 0 | 0 | 0 | 109.4 | Y60 C61 V83 T91 I93 L110 | Y60-L85 HydrophobicContact CD1-CD1 3.83Å; Y60-L85 HydrophobicContact CD1-CD2 4.03Å; Y60-L85 HydrophobicContact CD1-CG 3.98Å; Y60-L85 HydrophobicContact CG-CD1 4.21Å; C61-L85 PolarHBondContact O-N 3.19Å; V83-L85 HydrophobicContact CG1-CD2 4.4Å; L85-T91 HydrophobicContact CD2-CG2 3.78Å; L85-I93 HydrophobicContact CD1-CD1 4.19Å; L85-L110 HydrophobicContact CB-CD1 3.68Å; L85-L110 HydrophobicContact CB-CD2 3.75Å; L85-L110 HydrophobicContact CB-CG 4.37Å; L85-L110 HydrophobicContact CD1-CD1 3.62Å; L85-L110 HydrophobicContact CG-CD1 4.3Å |
| 86 | E | 98.1 | Very high | 97.3 | Very high | 104 Ų | 104 | 54.1 Ų | 54.1 | 49% | 0.486 | 29% | 0.289 | S | S | . | . | trans | -78.3 | 147.8 | 179.2 | -168.8 | 55.1 | -93.3 | 0 | 0 | 110.9 | F63 | F63-E86 HydrophobicContact CE2-CB 4.28Å; F63-E86 WeakPolarHBondContact CE2-OE2 3.12Å | ||
| 87 | L | 97.8 | Very high | 97.1 | Very high | 79 Ų | 79 | 54.2 Ų | 54.2 | 41% | 0.414 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -68.4 | 142 | 176 | -62 | -176.3 | 0 | 0 | 0 | 110.5 | S89 L110 V120 | L87-S89 PolarHBondContact O-N 3.28Å; L87-L110 HydrophobicContact CD2-CB 4.06Å; L87-L110 HydrophobicContact CD2-CD2 4.48Å; L87-V120 HydrophobicContact CD2-CG1 3.42Å; L87-V120 VanDerWaalsContact CD2-CG1 3.42Å |
| 88 | E | 97.1 | Very high | 96.7 | Very high | 83 Ų | 83 | 55.9 Ų | 55.9 | 39% | 0.388 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 28.9 | 176.2 | -55.4 | -170.9 | 124.5 | 0 | 0 | 113.2 | L110 H149 | E88-L110 WeakPolarHBondContact CA-O 3.48Å; E88-L110 PolarHBondContact N-O 2.81Å; E88-H149 PolarHBondContact O-CE1 2.76Å; E88-H149 VanDerWaalsContact O-CE1 3.24Å; E88-H149 PolarHBondContact O-NE2 3.4Å; E88-H149 VanDerWaalsContact O-NE2 3.08Å |
| 89 | S | 98.1 | Very high | 96.3 | Very high | 49 Ų | 49 | 60.3 Ų | 60.3 | 34% | 0.343 | 33% | 0.329 | S | S | . | . | trans | -119.3 | 104 | -179.6 | -172.4 | 0 | 0 | 0 | 0 | 111.5 | L87 T91 | L87-S89 PolarHBondContact O-N 3.28Å; S89-T91 PolarHBondContact O-N 3.16Å; S89-T91 VanDerWaalsContact O-N 3.08Å; S89-T91 PolarHBondContact O-OG1 3.16Å; S89-T91 VanDerWaalsContact O-OG1 3.12Å | ||
| 90 | P | 98.4 | Very high | 96.1 | Very high | 66 Ų | 66 | 58.8 Ų | 58.8 | 43% | 0.429 | 33% | 0.329 | S | S | . | . | trans | -62.3 | 110.2 | 178.5 | -22.9 | 33.7 | 0 | 0 | 0 | 111.7 | V107 T109 H149 | P90-V107 HydrophobicContact CB-CG1 3.74Å; P90-T109 WeakPolarHBondContact CA-OG1 3.42Å; P90-T109 HydrophobicContact CG-CG2 4.27Å; P90-H149 WeakPolarHBondContact CG-ND1 3.47Å | ||
| 91 | T | 98.6 | Very high | 95.8 | Very high | 40 Ų | 40 | 54.3 Ų | 54.3 | 25% | 0.245 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.4 | -174.9 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | L85 S89 V107 V108 | L85-T91 HydrophobicContact CD2-CG2 3.78Å; S89-T91 PolarHBondContact O-N 3.16Å; S89-T91 VanDerWaalsContact O-N 3.08Å; S89-T91 PolarHBondContact O-OG1 3.16Å; S89-T91 VanDerWaalsContact O-OG1 3.12Å; T91-V107 WeakPolarHBondContact O-CA 3.37Å; T91-V108 PolarHBondContact N-O 3.12Å; T91-V108 PolarHBondContact O-N 3.14Å |
| 92 | Q | 98.4 | Very high | 95.4 | Very high | 134 Ų | 134 | 59 Ų | 59 | 63% | 0.626 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 134.3 | 174.4 | -175.4 | 177 | -10.6 | 0 | 0 | 111.2 | E105 I106 | Q92-E105 PolarHBondContact NE2-OE2 3.49Å; Q92-I106 CarbonylContact C-O 3.51Å; Q92-I106 WeakPolarHBondContact CA-O 3.44Å |
| 93 | I | 98.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 67.1 Ų | 67.1 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 118.4 | 179.2 | -65.1 | 171.2 | 0 | 0 | 0 | 108.9 | F30 Y60 L85 L95 I106 V108 | F30-I93 HydrophobicContact CE1-CD1 4.07Å; F30-I93 HydrophobicContact CZ-CD1 3.78Å; Y60-I93 HydrophobicContact CD1-CD1 3.79Å; Y60-I93 HydrophobicContact CD2-CD1 4.13Å; Y60-I93 HydrophobicContact CE1-CD1 3.67Å; Y60-I93 HydrophobicContact CE1-CG1 4.02Å; Y60-I93 HydrophobicContact CE2-CD1 4.05Å; Y60-I93 HydrophobicContact CE2-CG2 3.97Å; Y60-I93 HydrophobicContact CG-CD1 4.01Å; L85-I93 HydrophobicContact CD1-CD1 4.19Å; I93-L95 HydrophobicContact CG2-CD2 4.12Å; I93-L95 PolarHBondContact O-N 3.34Å; I93-I106 HydrophobicContact CB-CD1 4.45Å; I93-I106 HydrophobicContact CB-CG1 4.06Å; I93-I106 HydrophobicContact CG2-CG1 4.44Å; I93-I106 PolarHBondContact N-O 3.04Å; I93-I106 WeakPolarHBondContact O-CG1 3.49Å; I93-I106 PolarHBondContact O-N 2.86Å; I93-I106 VanDerWaalsContact O-N 3.1Å; I93-V108 HydrophobicContact CD1-CB 4.28Å; I93-V108 HydrophobicContact CD1-CG2 3.95Å |
| 94 | S | 96.8 | Very high | 95 | Very high | 58 Ų | 58 | 66.4 Ų | 66.4 | 41% | 0.406 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 108.6 | 169.9 | -52.5 | 0 | 0 | 0 | 0 | 110.1 | E105 | S94-E105 WeakPolarHBondContact CB-OE1 3.13Å; S94-E105 VanDerWaalsContact OG-CD 3.25Å; S94-E105 PolarHBondContact OG-OE1 3.49Å; S94-E105 PolarHBondContact OG-OE2 3.11Å; S94-E105 VanDerWaalsContact OG-OE2 3.09Å |
| 95 | L | 95.9 | Very high | 95 | Very high | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 132.1 | 164 | -52.7 | 179.5 | 0 | 0 | 0 | 108 | V14 Q27 A28 I93 R103 E104 I106 | V14-L95 HydrophobicContact CG2-CD1 3.65Å; V14-L95 HydrophobicContact CG2-CD2 4.05Å; Q27-L95 HydrophobicContact CB-CB 4.48Å; A28-L95 HydrophobicContact CB-CD2 3.47Å; A28-L95 VanDerWaalsContact CB-CD2 3.47Å; I93-L95 HydrophobicContact CG2-CD2 4.12Å; I93-L95 PolarHBondContact O-N 3.34Å; L95-R103 VanDerWaalsContact O-CA 3.29Å; L95-R103 WeakPolarHBondContact O-CA 3.17Å; L95-E104 HydrophobicContact CB-CB 4.21Å; L95-E104 WeakPolarHBondContact CB-O 3.43Å; L95-E104 HydrophobicContact CD1-CB 4.47Å; L95-E104 HydrophobicContact CD1-CG 4.34Å; L95-E104 PolarHBondContact N-O 2.72Å; L95-E104 PolarHBondContact O-N 2.87Å; L95-I106 HydrophobicContact CD1-CD1 4.01Å; L95-I106 HydrophobicContact CD1-CG1 4.24Å; L95-I106 HydrophobicContact CD1-CG2 4.18Å; L95-I106 HydrophobicContact CD2-CD1 4.05Å; L95-I106 HydrophobicContact CD2-CG1 4.45Å; L95-I106 HydrophobicContact CG-CD1 4.11Å; L95-I106 HydrophobicContact CG-CG1 4.11Å |
| 96 | V | 93.8 | Very high | 94.9 | Very high | 22 Ų | 22 | 68.2 Ų | 68.2 | 13% | 0.133 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 124.7 | -174.8 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | T56 E98 R103 | T56-V96 HydrophobicContact CG2-CB 4.05Å; T56-V96 HydrophobicContact CG2-CG1 4.21Å; T56-V96 HydrophobicContact CG2-CG2 4.41Å; V96-E98 PolarHBondContact O-N 3.5Å; V96-R103 HydrophobicContact CG1-CG 4.36Å; V96-R103 HydrophobicContact CG2-CG 4.18Å |
| 97 | D | 92 | Very high | 95 | Very high | 51 Ų | 51 | 65.6 Ų | 65.6 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | trans | -80.9 | 114.1 | 164.8 | -179.3 | 16.6 | 0 | 0 | 0 | 109.6 | A99 S100 G101 E102 | D97-A99 PolarHBondContact O-N 3.34Å; D97-A99 WeakPolarHBondContact OD1-CB 3.31Å; D97-A99 PolarHBondContact OD1-N 2.85Å; D97-S100 WeakPolarHBondContact CB-OG 3.32Å; D97-S100 VanDerWaalsContact CG-OG 3.29Å; D97-S100 WeakPolarHBondContact OD2-CB 3.34Å; D97-S100 PolarHBondContact OD2-N 2.92Å; D97-S100 PolarHBondContact OD2-OG 2.92Å; D97-G101 WeakPolarHBondContact O-CA 3.28Å; D97-G101 PolarHBondContact O-N 3.05Å; D97-E102 PolarHBondContact N-O 3.47Å | ||
| 98 | E | 87.8 | Confident | 95 | Very high | 94 Ų | 94 | 61.8 Ų | 61.8 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -11.4 | 177.2 | -66.8 | 179.5 | 130.6 | 0 | 0 | 113 | S54 R55 T56 V96 | S54-E98 VanDerWaalsContact CA-OE2 3.25Å; S54-E98 WeakPolarHBondContact CA-OE2 3.48Å; S54-E98 WeakPolarHBondContact CB-OE2 3.27Å; S54-E98 VanDerWaalsContact OG-CD 3.28Å; S54-E98 PolarHBondContact OG-OE1 3.28Å; S54-E98 PolarHBondContact OG-OE2 3.32Å; R55-E98 PolarHBondContact N-OE1 3.06Å; T56-E98 HydrophobicContact CG2-CG 4.06Å; T56-E98 PolarHBondContact N-OE1 2.97Å; T56-E98 VanDerWaalsContact N-OE1 3.16Å; T56-E98 VanDerWaalsContact OG1-CD 3.29Å; T56-E98 WeakPolarHBondContact OG1-CG 3.43Å; T56-E98 PolarHBondContact OG1-OE1 3.04Å; V96-E98 PolarHBondContact O-N 3.5Å |
| 99 | A | 88.6 | Confident | 95.1 | Very high | 94 Ų | 94 | 57.9 Ų | 57.9 | 78% | 0.777 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -48.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D97 | D97-A99 PolarHBondContact O-N 3.34Å; D97-A99 WeakPolarHBondContact OD1-CB 3.31Å; D97-A99 PolarHBondContact OD1-N 2.85Å |
| 100 | S | 91.1 | Very high | 95.1 | Very high | 68 Ų | 68 | 55.5 Ų | 55.5 | 48% | 0.476 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -25.3 | 176.2 | 63.6 | 0 | 0 | 0 | 0 | 114.1 | D97 E102 | D97-S100 WeakPolarHBondContact CB-OG 3.32Å; D97-S100 VanDerWaalsContact CG-OG 3.29Å; D97-S100 WeakPolarHBondContact OD2-CB 3.34Å; D97-S100 PolarHBondContact OD2-N 2.92Å; D97-S100 PolarHBondContact OD2-OG 2.92Å; S100-E102 VanDerWaalsContact C-N 3.3Å; S100-E102 WeakPolarHBondContact OG-CB 3.29Å; S100-E102 WeakPolarHBondContact OG-CG 3.4Å; S100-E102 PolarHBondContact OG-N 3.34Å; S100-E102 VanDerWaalsContact OG-N 3.17Å |
| 101 | G | 89 | Confident | 95.1 | Very high | 51 Ų | 51 | 52.4 Ų | 52.4 | 53% | 0.526 | 29% | 0.29 | S | S | . | . | trans | 81.6 | 2.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D97 | D97-G101 WeakPolarHBondContact O-CA 3.28Å; D97-G101 PolarHBondContact O-N 3.05Å | ||
| 102 | E | 91.2 | Very high | 95.1 | Very high | 144 Ų | 144 | 53 Ų | 53 | 67% | 0.673 | 29% | 0.294 | S | S | * | . | trans | -64.7 | 155 | 175.5 | -69.9 | -174.2 | 176.6 | 0 | 0 | 112.2 | D97 S100 | D97-E102 PolarHBondContact N-O 3.47Å; S100-E102 VanDerWaalsContact C-N 3.3Å; S100-E102 WeakPolarHBondContact OG-CB 3.29Å; S100-E102 WeakPolarHBondContact OG-CG 3.4Å; S100-E102 PolarHBondContact OG-N 3.34Å; S100-E102 VanDerWaalsContact OG-N 3.17Å | ||
| 103 | R | 93.2 | Very high | 95.1 | Very high | 179 Ų | 179 | 46.6 Ų | 46.6 | 68% | 0.675 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138 | 133.8 | -177.5 | -59.1 | -169 | 178.6 | -158.5 | -2.4 | 111.7 | L95 V96 | L95-R103 VanDerWaalsContact O-CA 3.29Å; L95-R103 WeakPolarHBondContact O-CA 3.17Å; V96-R103 HydrophobicContact CG1-CG 4.36Å; V96-R103 HydrophobicContact CG2-CG 4.18Å |
| 104 | E | 94.8 | Very high | 94.9 | Very high | 31 Ų | 31 | 47.6 Ų | 47.6 | 15% | 0.145 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134.6 | 170.3 | 176.7 | 178.2 | -153.5 | 0 | 0 | 108 | Y11 T13 L95 I106 H128 | Y11-E104 WeakPolarHBondContact CD1-OE1 3.34Å; Y11-E104 WeakPolarHBondContact CE1-OE1 3.21Å; T13-E104 PolarHBondContact OG1-OE2 2.85Å; L95-E104 HydrophobicContact CB-CB 4.21Å; L95-E104 WeakPolarHBondContact CB-O 3.43Å; L95-E104 HydrophobicContact CD1-CB 4.47Å; L95-E104 HydrophobicContact CD1-CG 4.34Å; L95-E104 PolarHBondContact N-O 2.72Å; L95-E104 PolarHBondContact O-N 2.87Å; E104-I106 HydrophobicContact CG-CG2 4.38Å; E104-H128 IonicContact OE1-CE1 3.19Å; E104-H128 PolarHBondContact OE1-CE1 2.77Å; E104-H128 VanDerWaalsContact OE1-CE1 3.25Å; E104-H128 IonicContact OE1-ND1 3.25Å; E104-H128 PolarHBondContact OE1-ND1 3.34Å |
| 105 | E | 96.8 | Very high | 94.9 | Very high | 77 Ų | 77 | 45 Ų | 45 | 36% | 0.36 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 119.6 | 179.9 | -66.2 | -68.6 | 154.9 | 0 | 0 | 108.9 | Q92 S94 | Q92-E105 PolarHBondContact NE2-OE2 3.49Å; S94-E105 WeakPolarHBondContact CB-OE1 3.13Å; S94-E105 VanDerWaalsContact OG-CD 3.25Å; S94-E105 PolarHBondContact OG-OE1 3.49Å; S94-E105 PolarHBondContact OG-OE2 3.11Å; S94-E105 VanDerWaalsContact OG-OE2 3.09Å |
| 106 | I | 98 | Very high | 94.8 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 152.9 | 175.1 | 57.3 | 166.1 | 0 | 0 | 0 | 110.2 | Y11 V14 Q92 I93 L95 E104 V108 F124 | Y11-I106 HydrophobicContact CD1-CG2 3.85Å; Y11-I106 HydrophobicContact CE1-CG2 3.7Å; V14-I106 HydrophobicContact CG2-CD1 4.22Å; Q92-I106 CarbonylContact C-O 3.51Å; Q92-I106 WeakPolarHBondContact CA-O 3.44Å; I93-I106 HydrophobicContact CB-CD1 4.45Å; I93-I106 HydrophobicContact CB-CG1 4.06Å; I93-I106 HydrophobicContact CG2-CG1 4.44Å; I93-I106 PolarHBondContact N-O 3.04Å; I93-I106 WeakPolarHBondContact O-CG1 3.49Å; I93-I106 PolarHBondContact O-N 2.86Å; I93-I106 VanDerWaalsContact O-N 3.1Å; L95-I106 HydrophobicContact CD1-CD1 4.01Å; L95-I106 HydrophobicContact CD1-CG1 4.24Å; L95-I106 HydrophobicContact CD1-CG2 4.18Å; L95-I106 HydrophobicContact CD2-CD1 4.05Å; L95-I106 HydrophobicContact CD2-CG1 4.45Å; L95-I106 HydrophobicContact CG-CD1 4.11Å; L95-I106 HydrophobicContact CG-CG1 4.11Å; E104-I106 HydrophobicContact CG-CG2 4.38Å; I106-V108 HydrophobicContact CD1-CG2 3.78Å; I106-V108 HydrophobicContact CG1-CG2 4.31Å; I106-F124 HydrophobicContact CD1-CD1 3.86Å; I106-F124 HydrophobicContact CD1-CE1 3.97Å |
| 107 | V | 98.8 | Very high | 94.9 | Very high | 48 Ų | 48 | 45.8 Ų | 45.8 | 29% | 0.291 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.2 | 165.7 | 178.5 | 0 | 0 | 0 | 0 | 108 | P90 T91 E125 | P90-V107 HydrophobicContact CB-CG1 3.74Å; T91-V107 WeakPolarHBondContact O-CA 3.37Å; V107-E125 HydrophobicContact CB-CB 4.42Å; V107-E125 PolarHBondContact N-O 2.92Å; V107-E125 PolarHBondContact O-N 3.2Å |
| 108 | V | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 129.4 | 177.5 | -171.3 | 0 | 0 | 0 | 0 | 109.8 | F30 T91 I93 I106 L110 F122 L123 F124 | F30-V108 HydrophobicContact CE1-CB 4.36Å; F30-V108 HydrophobicContact CE1-CG1 3.96Å; F30-V108 HydrophobicContact CE1-CG2 4.05Å; F30-V108 HydrophobicContact CZ-CG2 4Å; T91-V108 PolarHBondContact N-O 3.12Å; T91-V108 PolarHBondContact O-N 3.14Å; I93-V108 HydrophobicContact CD1-CB 4.28Å; I93-V108 HydrophobicContact CD1-CG2 3.95Å; I106-V108 HydrophobicContact CD1-CG2 3.78Å; I106-V108 HydrophobicContact CG1-CG2 4.31Å; V108-L110 HydrophobicContact CG1-CD1 4.29Å; V108-F122 HydrophobicContact CG1-CB 4.23Å; V108-F122 HydrophobicContact CG1-CD1 4.04Å; V108-L123 CarbonylContact C-O 3.58Å; V108-L123 VanDerWaalsContact CA-O 3.32Å; V108-L123 WeakPolarHBondContact CA-O 3.25Å; V108-F124 HydrophobicContact CG1-CE1 4.33Å; V108-F124 HydrophobicContact CG1-CZ 4.46Å; V108-F124 HydrophobicContact CG2-CD1 3.57Å; V108-F124 HydrophobicContact CG2-CE1 3.61Å; V108-F124 HydrophobicContact CG2-CG 4.41Å; V108-F124 HydrophobicContact CG2-CZ 4.49Å |
| 109 | T | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 130.9 | 171.1 | -47 | 0 | 0 | 0 | 0 | 109.6 | P90 L111 L123 H149 | P90-T109 WeakPolarHBondContact CA-OG1 3.42Å; P90-T109 HydrophobicContact CG-CG2 4.27Å; T109-L111 HydrophobicContact CG2-CD2 4.13Å; T109-L123 PolarHBondContact N-O 3.33Å; T109-L123 PolarHBondContact O-N 2.72Å; T109-H149 HydrophobicContact CG2-CB 3.89Å |
| 110 | L | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 127.7 | 173.3 | -83.5 | 61.8 | 0 | 0 | 0 | 109.3 | L85 L87 E88 V108 V120 M121 F122 | L85-L110 HydrophobicContact CB-CD1 3.68Å; L85-L110 HydrophobicContact CB-CD2 3.75Å; L85-L110 HydrophobicContact CB-CG 4.37Å; L85-L110 HydrophobicContact CD1-CD1 3.62Å; L85-L110 HydrophobicContact CG-CD1 4.3Å; L87-L110 HydrophobicContact CD2-CB 4.06Å; L87-L110 HydrophobicContact CD2-CD2 4.48Å; E88-L110 WeakPolarHBondContact CA-O 3.48Å; E88-L110 PolarHBondContact N-O 2.81Å; V108-L110 HydrophobicContact CG1-CD1 4.29Å; L110-V120 HydrophobicContact CB-CB 4.26Å; L110-V120 HydrophobicContact CB-CG1 4.15Å; L110-V120 HydrophobicContact CD2-CB 4.38Å; L110-V120 HydrophobicContact CD2-CG1 4.18Å; L110-V120 HydrophobicContact CD2-CG2 3.96Å; L110-V120 HydrophobicContact CG-CB 4.17Å; L110-V120 HydrophobicContact CG-CG1 4.32Å; L110-V120 HydrophobicContact CG-CG2 3.99Å; L110-M121 WeakPolarHBondContact CA-O 3.42Å; L110-F122 HydrophobicContact CD1-CD1 3.66Å; L110-F122 HydrophobicContact CD1-CE1 3.73Å; L110-F122 HydrophobicContact CD2-CE1 4.24Å; L110-F122 HydrophobicContact CG-CD1 3.89Å; L110-F122 HydrophobicContact CG-CE1 3.76Å |
| 111 | L | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 144.3 | 175 | -50.3 | 174.4 | 0 | 0 | 0 | 108.9 | T109 A113 V120 M121 L123 L132 M147 H149 L150 | T109-L111 HydrophobicContact CG2-CD2 4.13Å; L111-A113 PolarHBondContact O-N 2.58Å; L111-A113 VanDerWaalsContact O-N 3.14Å; L111-V120 CarbonylContact O-C 3.57Å; L111-V120 VanDerWaalsContact O-CA 3.23Å; L111-V120 WeakPolarHBondContact O-CA 3.27Å; L111-V120 WeakPolarHBondContact O-CB 3.32Å; L111-M121 HydrophobicContact CB-CB 4.24Å; L111-M121 HydrophobicContact CB-CE 3.8Å; L111-M121 HydrophobicContact CD1-CE 4.03Å; L111-M121 PolarHBondContact N-O 2.85Å; L111-M121 PolarHBondContact O-N 3.45Å; L111-L123 HydrophobicContact CD1-CB 4.37Å; L111-L132 HydrophobicContact CD1-CD1 4.15Å; L111-M147 HydrophobicContact CB-SD 4.34Å; L111-M147 HydrophobicContact CD1-SD 4.41Å; L111-H149 HydrophobicContact CD2-CB 3.78Å; L111-L150 HydrophobicContact CD1-CD1 4.25Å; L111-L150 HydrophobicContact CD1-CD2 3.47Å; L111-L150 VanDerWaalsContact CD1-CD2 3.47Å; L111-L150 HydrophobicContact CD1-CG 3.69Å |
| 112 | P | 98.1 | Very high | 96.9 | Very high | 52 Ų | 52 | 29.9 Ų | 29.9 | 34% | 0.338 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 116.1 | 179.4 | 25.6 | -32.4 | 0 | 0 | 0 | 110.9 | G114 M147 | P112-G114 VanDerWaalsContact C-N 3.35Å; P112-M147 HydrophobicContact CG-CE 4.22Å; P112-M147 WeakPolarHBondContact O-CE 3.21Å |
| 113 | A | 97.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | trans | -79 | -22 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L111 H115 S119 M121 D136 F137 R138 | L111-A113 PolarHBondContact O-N 2.58Å; L111-A113 VanDerWaalsContact O-N 3.14Å; A113-H115 VanDerWaalsContact C-N 3.3Å; A113-H115 PolarHBondContact O-N 2.85Å; A113-S119 PolarHBondContact N-O 3.12Å; A113-S119 VanDerWaalsContact N-O 3.09Å; A113-M121 HydrophobicContact CB-CG 3.78Å; A113-D136 WeakPolarHBondContact CB-O 3.29Å; A113-F137 HydrophobicContact CB-CB 3.88Å; A113-F137 CarbonylContact O-C 3.54Å; A113-F137 VanDerWaalsContact O-CA 3.31Å; A113-F137 WeakPolarHBondContact O-CA 3.44Å; A113-F137 WeakPolarHBondContact O-CB 3.34Å; A113-R138 PolarHBondContact O-N 2.81Å | ||
| 114 | G | 95 | Very high | 97.5 | Very high | 27 Ų | 27 | 14.5 Ų | 14.5 | 28% | 0.278 | 9% | 0.091 | S | C | . | . | trans | 62.9 | 32.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P112 R179 | P112-G114 VanDerWaalsContact C-N 3.35Å; G114-R179 PolarHBondContact O-NH1 3.37Å; G114-R179 PolarHBondContact O-NH2 3Å | ||
| 115 | H | 95.1 | Very high | 97.7 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.009 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -91.9 | -58.9 | 175.2 | 170.7 | 99.9 | 0 | 0 | 0 | 111.3 | H33 H35 A113 S119 D136 F318 H319 | H33-H115 AromaticContact CD2-CD2 3.62Å; H33-H115 AromaticContact CD2-NE2 3.72Å; H33-H115 AromaticContact NE2-CD2 3.84Å; H33-H115 AromaticContact NE2-NE2 3.58Å; H35-H115 AromaticContact CE1-CE1 3.81Å; H35-H115 AromaticContact CE1-NE2 3.29Å; H35-H115 PolarHBondContact CE1-NE2 2.84Å; H35-H115 VanDerWaalsContact CE1-NE2 3.29Å; H35-H115 AromaticContact ND1-NE2 3.42Å; H35-H115 PolarHBondContact ND1-NE2 2.81Å; H35-H115 AromaticContact NE2-CD2 3.74Å; H35-H115 AromaticContact NE2-CE1 3.52Å; H35-H115 AromaticContact NE2-NE2 2.71Å; H35-H115 PolarHBondContact NE2-NE2 3.31Å; A113-H115 VanDerWaalsContact C-N 3.3Å; A113-H115 PolarHBondContact O-N 2.85Å; H115-S119 PolarHBondContact N-OG 2.73Å; H115-D136 WeakPolarHBondContact CB-O 3.29Å; H115-D136 IonicContact CE1-OD2 2.65Å; H115-D136 WeakPolarHBondContact ND1-CB 3.45Å; H115-F318 WeakPolarHBondContact ND1-CB 3.44Å; H115-F318 PolarHBondContact ND1-O 3.4Å; H115-F318 VanDerWaalsContact ND1-O 3.09Å; H115-H319 AromaticContact CE1-CE1 3.6Å; H115-H319 AromaticContact CE1-NE2 3.9Å; H115-H319 AromaticContact ND1-CE1 3.88Å |
| 116 | C | 94.8 | Very high | 97.7 | Very high | 13 Ų | 13 | 12.7 Ų | 12.7 | 9% | 0.088 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -140 | 175.1 | 175.3 | 77.2 | 0 | 0 | 0 | 0 | 111.6 | G118 S119 | C116-G118 PolarHBondContact O-N 2.84Å; C116-S119 PolarHBondContact N-OG 3Å; C116-S119 WeakPolarHBondContact O-CB 3.37Å; C116-S119 PolarHBondContact O-N 3.37Å; C116-S119 PolarHBondContact O-OG 2.66Å |
| 117 | P | 94.7 | Very high | 97.5 | Very high | 28 Ų | 28 | 17.3 Ų | 17.3 | 18% | 0.182 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 129 | 170.3 | -26.3 | 35.7 | 0 | 0 | 0 | 111.3 | V64 L68 S119 E213 I241 | V64-P117 HydrophobicContact CG1-CB 3.93Å; L68-P117 HydrophobicContact CD1-CB 4.46Å; P117-S119 VanDerWaalsContact C-N 3.29Å; P117-S119 PolarHBondContact O-N 3.4Å; P117-E213 WeakPolarHBondContact CD-OE2 3.41Å; P117-E213 HydrophobicContact CG-CB 4.03Å; P117-E213 HydrophobicContact CG-CG 3.96Å; P117-E213 VanDerWaalsContact CG-OE2 3.26Å; P117-E213 WeakPolarHBondContact CG-OE2 3.22Å; P117-I241 HydrophobicContact CG-CD1 4.34Å |
| 118 | G | 95.9 | Very high | 97.4 | Very high | 15 Ų | 15 | 20.1 Ų | 20.1 | 16% | 0.155 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | -6.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | S62 T65 C116 V120 | S62-G118 WeakPolarHBondContact CB-O 3.44Å; S62-G118 VanDerWaalsContact OG-CA 3.29Å; S62-G118 WeakPolarHBondContact OG-CA 3.46Å; S62-G118 PolarHBondContact OG-O 3.46Å; T65-G118 PolarHBondContact OG1-O 3.12Å; C116-G118 PolarHBondContact O-N 2.84Å; G118-V120 PolarHBondContact O-N 2.91Å |
| 119 | S | 98.3 | Very high | 97.2 | Very high | 8 Ų | 8 | 21.3 Ų | 21.3 | 6% | 0.056 | 15% | 0.145 | C | C | . | . | trans | -65.6 | 126.4 | -178.9 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | S32 A113 H115 C116 P117 | S32-S119 WeakPolarHBondContact O-CA 3.41Å; A113-S119 PolarHBondContact N-O 3.12Å; A113-S119 VanDerWaalsContact N-O 3.09Å; H115-S119 PolarHBondContact N-OG 2.73Å; C116-S119 PolarHBondContact N-OG 3Å; C116-S119 WeakPolarHBondContact O-CB 3.37Å; C116-S119 PolarHBondContact O-N 3.37Å; C116-S119 PolarHBondContact O-OG 2.66Å; P117-S119 VanDerWaalsContact C-N 3.29Å; P117-S119 PolarHBondContact O-N 3.4Å | ||
| 120 | V | 98.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 143.2 | -176.5 | -69.6 | 0 | 0 | 0 | 0 | 113.6 | S32 L87 L110 L111 G118 F122 | S32-V120 VanDerWaalsContact CB-O 3.32Å; S32-V120 WeakPolarHBondContact CB-O 3.42Å; S32-V120 PolarHBondContact O-N 2.98Å; L87-V120 HydrophobicContact CD2-CG1 3.42Å; L87-V120 VanDerWaalsContact CD2-CG1 3.42Å; L110-V120 HydrophobicContact CB-CB 4.26Å; L110-V120 HydrophobicContact CB-CG1 4.15Å; L110-V120 HydrophobicContact CD2-CB 4.38Å; L110-V120 HydrophobicContact CD2-CG1 4.18Å; L110-V120 HydrophobicContact CD2-CG2 3.96Å; L110-V120 HydrophobicContact CG-CB 4.17Å; L110-V120 HydrophobicContact CG-CG1 4.32Å; L110-V120 HydrophobicContact CG-CG2 3.99Å; L111-V120 CarbonylContact O-C 3.57Å; L111-V120 VanDerWaalsContact O-CA 3.23Å; L111-V120 WeakPolarHBondContact O-CA 3.27Å; L111-V120 WeakPolarHBondContact O-CB 3.32Å; G118-V120 PolarHBondContact O-N 2.91Å; V120-F122 HydrophobicContact CG2-CD1 4.5Å; V120-F122 HydrophobicContact CG2-CE1 3.85Å; V120-F122 HydrophobicContact CG2-CE2 4.32Å; V120-F122 HydrophobicContact CG2-CZ 3.76Å |
| 121 | M | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 144.8 | 160.4 | -44.2 | -170.6 | -76.9 | 0 | 0 | 108.2 | L110 L111 A113 L132 Y133 T134 L139 M147 F328 | L110-M121 WeakPolarHBondContact CA-O 3.42Å; L111-M121 HydrophobicContact CB-CB 4.24Å; L111-M121 HydrophobicContact CB-CE 3.8Å; L111-M121 HydrophobicContact CD1-CE 4.03Å; L111-M121 PolarHBondContact N-O 2.85Å; L111-M121 PolarHBondContact O-N 3.45Å; A113-M121 HydrophobicContact CB-CG 3.78Å; M121-L132 HydrophobicContact CB-CD1 4.04Å; M121-Y133 CarbonylContact C-O 3.59Å; M121-Y133 VanDerWaalsContact CA-O 3.25Å; M121-Y133 WeakPolarHBondContact CA-O 3.39Å; M121-Y133 WeakPolarHBondContact CB-O 3.39Å; M121-T134 WeakPolarHBondContact CG-O 3.49Å; M121-T134 HydrophobicContact SD-CG2 4.07Å; M121-L139 HydrophobicContact CE-CD1 3.93Å; M121-L139 HydrophobicContact SD-CD1 4.3Å; M121-M147 HydrophobicContact CE-CE 3.79Å; M121-M147 HydrophobicContact CE-SD 3.59Å; M121-M147 VanDerWaalsContact CE-SD 3.59Å; M121-F328 HydrophobicContact CE-CE2 4.35Å; M121-F328 HydrophobicContact SD-CE2 4.19Å; M121-F328 HydrophobicContact SD-CZ 3.97Å |
| 122 | F | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 114.8 | 174 | -60.3 | -73.9 | 0 | 0 | 0 | 109.7 | L16 F30 V108 L110 V120 F124 Y133 | L16-F122 HydrophobicContact CD2-CB 4.4Å; L16-F122 HydrophobicContact CD2-CD2 3.33Å; L16-F122 HydrophobicContact CD2-CE2 3.8Å; L16-F122 HydrophobicContact CD2-CG 4.11Å; F30-F122 HydrophobicContact CB-CD2 4.4Å; F30-F122 HydrophobicContact CB-CE2 3.95Å; F30-F122 HydrophobicContact CB-CZ 4.05Å; F30-F122 AromaticContact CD1-CD1 3.9Å; F30-F122 HydrophobicContact CD1-CD1 3.9Å; F30-F122 AromaticContact CD1-CE1 3.79Å; F30-F122 HydrophobicContact CD1-CE1 3.79Å; F30-F122 HydrophobicContact CD1-CG 4.32Å; F30-F122 HydrophobicContact CD1-CZ 4.1Å; V108-F122 HydrophobicContact CG1-CB 4.23Å; V108-F122 HydrophobicContact CG1-CD1 4.04Å; L110-F122 HydrophobicContact CD1-CD1 3.66Å; L110-F122 HydrophobicContact CD1-CE1 3.73Å; L110-F122 HydrophobicContact CD2-CE1 4.24Å; L110-F122 HydrophobicContact CG-CD1 3.89Å; L110-F122 HydrophobicContact CG-CE1 3.76Å; V120-F122 HydrophobicContact CG2-CD1 4.5Å; V120-F122 HydrophobicContact CG2-CE1 3.85Å; V120-F122 HydrophobicContact CG2-CE2 4.32Å; V120-F122 HydrophobicContact CG2-CZ 3.76Å; F122-F124 HydrophobicContact CB-CD2 4.04Å; F122-F124 HydrophobicContact CB-CE2 3.42Å; F122-F124 VanDerWaalsContact CB-CE2 3.42Å; F122-F124 HydrophobicContact CB-CZ 4.05Å; F122-F124 HydrophobicContact CG-CE2 4.33Å; F122-Y133 HydrophobicContact CD2-CD1 4.1Å; F122-Y133 PolarHBondContact N-O 3.01Å; F122-Y133 PolarHBondContact O-N 2.98Å |
| 123 | L | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 114.3 | 166.5 | 177.4 | 66.6 | 0 | 0 | 0 | 108.7 | V108 T109 L111 E125 L132 H149 K157 | V108-L123 CarbonylContact C-O 3.58Å; V108-L123 VanDerWaalsContact CA-O 3.32Å; V108-L123 WeakPolarHBondContact CA-O 3.25Å; T109-L123 PolarHBondContact N-O 3.33Å; T109-L123 PolarHBondContact O-N 2.72Å; L111-L123 HydrophobicContact CD1-CB 4.37Å; L123-E125 HydrophobicContact CD2-CG 4.39Å; L123-E125 HydrophobicContact CG-CG 4.14Å; L123-L132 HydrophobicContact CB-CD1 4.12Å; L123-L132 HydrophobicContact CD1-CB 4.43Å; L123-L132 HydrophobicContact CD1-CD1 4.47Å; L123-H149 VanDerWaalsContact CD2-O 3.23Å; L123-H149 WeakPolarHBondContact CD2-O 3.2Å; L123-K157 HydrophobicContact CD2-CD 3.96Å |
| 124 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.6 | 173.7 | -67.4 | -95.5 | 0 | 0 | 0 | 110.1 | M8 Y11 V14 L16 F30 I106 V108 F122 N130 V131 | M8-F124 HydrophobicContact CE-CD1 4.14Å; M8-F124 HydrophobicContact CE-CD2 3.6Å; M8-F124 HydrophobicContact CE-CE1 4.21Å; M8-F124 HydrophobicContact CE-CE2 3.64Å; M8-F124 HydrophobicContact CE-CG 3.87Å; M8-F124 HydrophobicContact CE-CZ 3.97Å; M8-F124 HydrophobicContact SD-CD2 4.04Å; M8-F124 HydrophobicContact SD-CE2 4.12Å; Y11-F124 HydrophobicContact CD2-CB 4.35Å; Y11-F124 HydrophobicContact CE2-CB 4.23Å; V14-F124 HydrophobicContact CG1-CE1 4.04Å; V14-F124 HydrophobicContact CG1-CZ 4.09Å; L16-F124 HydrophobicContact CD1-CE2 3.89Å; L16-F124 HydrophobicContact CD1-CZ 4.03Å; L16-F124 HydrophobicContact CD2-CE2 3.96Å; L16-F124 HydrophobicContact CD2-CZ 3.98Å; L16-F124 HydrophobicContact CG-CE2 4.47Å; L16-F124 HydrophobicContact CG-CZ 4.34Å; F30-F124 HydrophobicContact CD1-CZ 4.12Å; F30-F124 HydrophobicContact CD2-CE1 4.39Å; F30-F124 HydrophobicContact CD2-CZ 4.15Å; F30-F124 HydrophobicContact CE1-CE1 4.13Å; F30-F124 HydrophobicContact CE1-CZ 4.12Å; F30-F124 AromaticContact CE2-CE1 3.93Å; F30-F124 HydrophobicContact CE2-CE1 3.93Å; F30-F124 HydrophobicContact CE2-CZ 4.14Å; F30-F124 HydrophobicContact CG-CZ 4.16Å; F30-F124 AromaticContact CZ-CE1 3.8Å; F30-F124 HydrophobicContact CZ-CE1 3.8Å; F30-F124 HydrophobicContact CZ-CZ 4.14Å; I106-F124 HydrophobicContact CD1-CD1 3.86Å; I106-F124 HydrophobicContact CD1-CE1 3.97Å; V108-F124 HydrophobicContact CG1-CE1 4.33Å; V108-F124 HydrophobicContact CG1-CZ 4.46Å; V108-F124 HydrophobicContact CG2-CD1 3.57Å; V108-F124 HydrophobicContact CG2-CE1 3.61Å; V108-F124 HydrophobicContact CG2-CG 4.41Å; V108-F124 HydrophobicContact CG2-CZ 4.49Å; F122-F124 HydrophobicContact CB-CD2 4.04Å; F122-F124 HydrophobicContact CB-CE2 3.42Å; F122-F124 VanDerWaalsContact CB-CE2 3.42Å; F122-F124 HydrophobicContact CB-CZ 4.05Å; F122-F124 HydrophobicContact CG-CE2 4.33Å; F124-N130 CarbonylContact O-C 3.54Å; F124-N130 VanDerWaalsContact O-CA 3.24Å; F124-N130 WeakPolarHBondContact O-CA 3.43Å; F124-V131 HydrophobicContact CB-CB 4.49Å; F124-V131 PolarHBondContact N-O 3.27Å; F124-V131 PolarHBondContact O-N 3.47Å |
| 125 | E | 98.4 | Very high | 97.4 | Very high | 40 Ų | 40 | 19.3 Ų | 19.3 | 19% | 0.187 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 129.5 | 177 | -58.2 | -178.3 | 92.9 | 0 | 0 | 108.8 | V107 L123 N130 K157 | V107-E125 HydrophobicContact CB-CB 4.42Å; V107-E125 PolarHBondContact N-O 2.92Å; V107-E125 PolarHBondContact O-N 3.2Å; L123-E125 HydrophobicContact CD2-CG 4.39Å; L123-E125 HydrophobicContact CG-CG 4.14Å; E125-N130 HydrophobicContact CG-CB 4.43Å; E125-K157 VanDerWaalsContact OE1-CD 3.32Å; E125-K157 WeakPolarHBondContact OE1-CD 3.1Å; E125-K157 WeakPolarHBondContact OE1-CE 3.14Å; E125-K157 IonicContact OE1-NZ 3.16Å; E125-K157 PolarHBondContact OE1-NZ 2.8Å; E125-K157 IonicContact OE2-NZ 3.02Å; E125-K157 PolarHBondContact OE2-NZ 3.08Å |
| 126 | G | 96.4 | Very high | 97.6 | Very high | 30 Ų | 30 | 19.4 Ų | 19.4 | 31% | 0.309 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -179.1 | -173.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y11 H128 G129 | Y11-G126 WeakPolarHBondContact OH-CA 3.47Å; Y11-G126 PolarHBondContact OH-N 2.92Å; Y11-G126 PolarHBondContact OH-O 3.1Å; G126-H128 PolarHBondContact O-N 2.79Å; G126-G129 PolarHBondContact O-N 3.13Å |
| 127 | C | 94.4 | Very high | 97.7 | Very high | 99 Ų | 99 | 18.8 Ų | 18.8 | 67% | 0.669 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -20.5 | -174.6 | 53.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 128 | H | 95.9 | Very high | 97.8 | Very high | 106 Ų | 106 | 17.9 Ų | 17.9 | 49% | 0.491 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 11.1 | 178 | -59.7 | 115 | 0 | 0 | 0 | 113.6 | E10 Y11 E104 G126 | E10-H128 HydrophobicContact CB-CB 4.06Å; E10-H128 VanDerWaalsContact O-CB 3.27Å; E10-H128 WeakPolarHBondContact O-CB 3.32Å; Y11-H128 HydrophobicContact CD1-CB 4.43Å; Y11-H128 HydrophobicContact CE1-CB 3.81Å; Y11-H128 AromaticContact CE1-ND1 3.92Å; Y11-H128 HydrophobicContact CE2-CB 4.48Å; Y11-H128 PolarHBondContact OH-N 2.54Å; E104-H128 IonicContact OE1-CE1 3.19Å; E104-H128 PolarHBondContact OE1-CE1 2.77Å; E104-H128 VanDerWaalsContact OE1-CE1 3.25Å; E104-H128 IonicContact OE1-ND1 3.25Å; E104-H128 PolarHBondContact OE1-ND1 3.34Å; G126-H128 PolarHBondContact O-N 2.79Å |
| 129 | G | 96.3 | Very high | 97.8 | Very high | 26 Ų | 26 | 17.9 Ų | 17.9 | 27% | 0.268 | 11% | 0.11 | S | C | . | . | trans | 95.7 | 168.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y11 G126 | Y11-G129 WeakPolarHBondContact CE2-O 3.44Å; Y11-G129 PolarHBondContact OH-N 3.12Å; Y11-G129 PolarHBondContact OH-O 3.12Å; G126-G129 PolarHBondContact O-N 3.13Å | ||
| 130 | N | 98.3 | Very high | 97.6 | Very high | 36 Ų | 36 | 19.9 Ų | 19.9 | 19% | 0.193 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 130.8 | -176.5 | -49.7 | -43.5 | 0 | 0 | 0 | 110.8 | F124 E125 D158 Q160 | F124-N130 CarbonylContact O-C 3.54Å; F124-N130 VanDerWaalsContact O-CA 3.24Å; F124-N130 WeakPolarHBondContact O-CA 3.43Å; E125-N130 HydrophobicContact CG-CB 4.43Å; N130-D158 WeakPolarHBondContact CB-O 3.45Å; N130-D158 PolarHBondContact ND2-O 3.07Å; N130-Q160 WeakPolarHBondContact O-CB 3.49Å; N130-Q160 PolarHBondContact O-N 3.38Å |
| 131 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 132.5 | -176.7 | -178 | 0 | 0 | 0 | 0 | 110 | M8 E10 Y11 F124 S161 Y163 | M8-V131 HydrophobicContact CG-CG1 4.4Å; M8-V131 HydrophobicContact SD-CB 4.28Å; M8-V131 HydrophobicContact SD-CG1 3.47Å; M8-V131 WeakPolarHBondContact SD-CG1 3.45Å; E10-V131 HydrophobicContact CB-CG2 3.78Å; E10-V131 HydrophobicContact CG-CG2 3.6Å; Y11-V131 HydrophobicContact CD2-CG2 4.33Å; Y11-V131 HydrophobicContact CE2-CG2 4.04Å; F124-V131 HydrophobicContact CB-CB 4.49Å; F124-V131 PolarHBondContact N-O 3.27Å; F124-V131 PolarHBondContact O-N 3.47Å; V131-S161 WeakPolarHBondContact CA-O 3.21Å; V131-Y163 HydrophobicContact CG1-CD2 3.67Å; V131-Y163 HydrophobicContact CG1-CE2 3.78Å |
| 132 | L | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 114.3 | 176.9 | -178.3 | 62.7 | 0 | 0 | 0 | 109.9 | L111 M121 L123 L150 S161 V162 Y163 F328 L332 | L111-L132 HydrophobicContact CD1-CD1 4.15Å; M121-L132 HydrophobicContact CB-CD1 4.04Å; L123-L132 HydrophobicContact CB-CD1 4.12Å; L123-L132 HydrophobicContact CD1-CB 4.43Å; L123-L132 HydrophobicContact CD1-CD1 4.47Å; L132-L150 HydrophobicContact CD1-CD2 4.48Å; L132-L150 HydrophobicContact CD2-CD2 4.05Å; L132-S161 PolarHBondContact N-O 2.96Å; L132-V162 HydrophobicContact CB-CG2 4.37Å; L132-V162 CarbonylContact O-C 3.54Å; L132-V162 WeakPolarHBondContact O-CA 3.29Å; L132-Y163 PolarHBondContact O-N 3.33Å; L132-F328 HydrophobicContact CD2-CE1 4.46Å; L132-F328 HydrophobicContact CD2-CZ 3.8Å; L132-L332 HydrophobicContact CD2-CD1 3.63Å |
| 133 | Y | 98.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 118.3 | 167.9 | -179.2 | -91.3 | 0 | 0 | 0 | 108.9 | F4 L16 D17 M121 F122 G135 Y163 | F4-Y133 AromaticContact CD1-CE2 3.61Å; F4-Y133 HydrophobicContact CD1-CE2 3.61Å; F4-Y133 HydrophobicContact CE1-CD2 4.06Å; F4-Y133 AromaticContact CE1-CE2 3.42Å; F4-Y133 HydrophobicContact CE1-CE2 3.42Å; F4-Y133 VanDerWaalsContact CE1-CE2 3.42Å; F4-Y133 HydrophobicContact CG-CE2 4.32Å; F4-Y133 HydrophobicContact CZ-CD2 4.24Å; F4-Y133 HydrophobicContact CZ-CE2 4.02Å; L16-Y133 HydrophobicContact CB-CD1 4.39Å; L16-Y133 HydrophobicContact CB-CD2 4.35Å; L16-Y133 HydrophobicContact CB-CE1 4.23Å; L16-Y133 HydrophobicContact CB-CE2 4.25Å; L16-Y133 HydrophobicContact CB-CG 4.44Å; L16-Y133 HydrophobicContact CD1-CD2 4.2Å; L16-Y133 HydrophobicContact CD1-CG 4.11Å; L16-Y133 HydrophobicContact CD2-CD1 3.7Å; L16-Y133 HydrophobicContact CD2-CE1 4.19Å; L16-Y133 HydrophobicContact CD2-CG 3.94Å; L16-Y133 HydrophobicContact CG-CD1 4.49Å; L16-Y133 HydrophobicContact CG-CG 4.4Å; D17-Y133 PolarHBondContact OD2-OH 3.07Å; M121-Y133 CarbonylContact C-O 3.59Å; M121-Y133 VanDerWaalsContact CA-O 3.25Å; M121-Y133 WeakPolarHBondContact CA-O 3.39Å; M121-Y133 WeakPolarHBondContact CB-O 3.39Å; F122-Y133 HydrophobicContact CD2-CD1 4.1Å; F122-Y133 PolarHBondContact N-O 3.01Å; F122-Y133 PolarHBondContact O-N 2.98Å; Y133-G135 PolarHBondContact O-N 3.02Å; Y133-Y163 HydrophobicContact CD2-CG 4.41Å |
| 134 | T | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -78.4 | -18 | -174.1 | 60.4 | 0 | 0 | 0 | 0 | 114.4 | M121 F137 V162 Y163 L164 D165 F328 | M121-T134 WeakPolarHBondContact CG-O 3.49Å; M121-T134 HydrophobicContact SD-CG2 4.07Å; T134-F137 VanDerWaalsContact CB-CD1 3.48Å; T134-F137 HydrophobicContact CG2-CD1 3.88Å; T134-F137 HydrophobicContact CG2-CE1 3.96Å; T134-V162 HydrophobicContact CG2-CG1 4.24Å; T134-Y163 PolarHBondContact N-O 3.05Å; T134-Y163 PolarHBondContact OG1-O 2.9Å; T134-L164 HydrophobicContact CG2-CD1 4.24Å; T134-D165 PolarHBondContact OG1-N 2.9Å; T134-F328 HydrophobicContact CG2-CE1 3.99Å; T134-F328 HydrophobicContact CG2-CZ 4.03Å | ||
| 135 | G | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | 54.7 | -146.9 | -153.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y133 | Y133-G135 PolarHBondContact O-N 3.02Š| ||
| 136 | D | 97.7 | Very high | 96.3 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -90.2 | 137.5 | 162.1 | -73 | 2.9 | 0 | 0 | 0 | 109.5 | H38 A113 H115 D165 H319 | H38-D136 IonicContact CE1-OD1 3.86Å; H38-D136 PolarHBondContact CE1-OD1 2.78Å; H38-D136 IonicContact NE2-OD1 3.69Å; H38-D136 IonicContact NE2-OD2 3.41Å; A113-D136 WeakPolarHBondContact CB-O 3.29Å; H115-D136 WeakPolarHBondContact CB-O 3.29Å; H115-D136 IonicContact CE1-OD2 2.65Å; H115-D136 WeakPolarHBondContact ND1-CB 3.45Å; D136-D165 WeakPolarHBondContact CA-OD2 3.26Å; D136-H319 IonicContact OD2-CE1 3.16Å; D136-H319 PolarHBondContact OD2-CE1 2.82Å; D136-H319 VanDerWaalsContact OD2-CE1 3.25Å; D136-H319 IonicContact OD2-ND1 3.3Å |
| 137 | F | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -145.6 | 143.9 | -170.5 | 83.9 | -81.9 | 0 | 0 | 0 | 114.3 | A113 T134 L139 L164 D165 H319 S320 I325 F328 | A113-F137 HydrophobicContact CB-CB 3.88Å; A113-F137 CarbonylContact O-C 3.54Å; A113-F137 VanDerWaalsContact O-CA 3.31Å; A113-F137 WeakPolarHBondContact O-CA 3.44Å; A113-F137 WeakPolarHBondContact O-CB 3.34Å; T134-F137 VanDerWaalsContact CB-CD1 3.48Å; T134-F137 HydrophobicContact CG2-CD1 3.88Å; T134-F137 HydrophobicContact CG2-CE1 3.96Å; F137-L139 HydrophobicContact CD2-CB 4.22Å; F137-L139 HydrophobicContact CD2-CD1 3.95Å; F137-L139 HydrophobicContact CD2-CG 3.91Å; F137-L139 HydrophobicContact CE2-CB 4.41Å; F137-L139 HydrophobicContact CE2-CD1 4.3Å; F137-L139 HydrophobicContact CE2-CG 4.48Å; F137-L164 HydrophobicContact CE1-CD1 3.72Å; F137-L164 HydrophobicContact CZ-CD1 4.02Å; F137-D165 HydrophobicContact CD1-CB 3.45Å; F137-D165 VanDerWaalsContact CD1-CB 3.45Å; F137-D165 HydrophobicContact CE1-CB 3.71Å; F137-D165 PolarHBondContact N-OD2 2.82Å; F137-D165 VanDerWaalsContact N-OD2 3.11Å; F137-H319 CarbonylContact O-C 3.52Å; F137-H319 WeakPolarHBondContact O-CA 3.11Å; F137-S320 WeakPolarHBondContact CD2-OG 3.44Å; F137-S320 WeakPolarHBondContact CE2-OG 3.27Å; F137-S320 PolarHBondContact O-N 2.92Å; F137-S320 PolarHBondContact O-OG 3.2Å; F137-S320 VanDerWaalsContact O-OG 3.05Å; F137-I325 HydrophobicContact CZ-CG1 4.33Å; F137-F328 HydrophobicContact CE2-CD1 4.24Å; F137-F328 HydrophobicContact CE2-CD2 4.2Å; F137-F328 HydrophobicContact CE2-CE1 4.41Å; F137-F328 HydrophobicContact CE2-CE2 4.38Å; F137-F328 HydrophobicContact CE2-CG 4.13Å; F137-F328 HydrophobicContact CE2-CZ 4.47Å; F137-F328 AromaticContact CZ-CD1 3.9Å; F137-F328 HydrophobicContact CZ-CD1 3.9Å; F137-F328 HydrophobicContact CZ-CE1 4.06Å; F137-F328 HydrophobicContact CZ-CG 4.21Å | ||
| 138 | R | 96.7 | Very high | 96.4 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 3% | 0.034 | 21% | 0.205 | C | C | . | . | trans | -130 | 108.6 | 164.2 | -171.8 | 170.6 | -173 | -164.9 | -0.3 | 111.9 | A113 P177 R179 S317 F318 H319 S320 E324 | A113-R138 PolarHBondContact O-N 2.81Å; R138-P177 PolarHBondContact NH1-O 3.35Å; R138-P177 PolarHBondContact NH2-O 2.9Å; R138-R179 PolarHBondContact O-NH1 2.77Å; R138-S317 VanDerWaalsContact CD-O 3.31Å; R138-S317 WeakPolarHBondContact CD-O 3.41Å; R138-F318 WeakPolarHBondContact CB-O 3.45Å; R138-H319 WeakPolarHBondContact CD-O 3.38Å; R138-S320 WeakPolarHBondContact CA-OG 3.45Å; R138-E324 IonicContact CZ-OE1 3.71Å; R138-E324 IonicContact NE-OE1 3.77Å; R138-E324 PolarHBondContact NE-OE1 3.47Å; R138-E324 IonicContact NE-OE2 2.91Å; R138-E324 IonicContact NH2-OE1 2.7Å; R138-E324 PolarHBondContact NH2-OE1 3.42Å; R138-E324 IonicContact NH2-OE2 3.89Å | ||
| 139 | L | 96.1 | Very high | 96.4 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | trans | -116.4 | 142.5 | 173.2 | -67.7 | 173.7 | 0 | 0 | 0 | 109.8 | M121 F137 D143 M147 S320 E324 F328 | M121-L139 HydrophobicContact CE-CD1 3.93Å; M121-L139 HydrophobicContact SD-CD1 4.3Å; F137-L139 HydrophobicContact CD2-CB 4.22Å; F137-L139 HydrophobicContact CD2-CD1 3.95Å; F137-L139 HydrophobicContact CD2-CG 3.91Å; F137-L139 HydrophobicContact CE2-CB 4.41Å; F137-L139 HydrophobicContact CE2-CD1 4.3Å; F137-L139 HydrophobicContact CE2-CG 4.48Å; L139-D143 HydrophobicContact CB-CB 4.08Å; L139-D143 HydrophobicContact CD2-CB 4.11Å; L139-M147 HydrophobicContact CD1-CE 3.68Å; L139-M147 HydrophobicContact CD1-SD 4.47Å; L139-M147 HydrophobicContact CD2-CE 3.49Å; L139-M147 VanDerWaalsContact CD2-CE 3.49Å; L139-M147 HydrophobicContact CG-CE 4.25Å; L139-S320 PolarHBondContact N-OG 3.45Å; L139-E324 WeakPolarHBondContact O-CB 3.22Å; L139-E324 WeakPolarHBondContact O-CG 3.15Å; L139-F328 HydrophobicContact CD1-CD2 3.97Å; L139-F328 HydrophobicContact CD1-CE2 3.77Å | ||
| 140 | A | 93.7 | Very high | 96.5 | Very high | 50 Ų | 50 | 33.5 Ų | 33.5 | 41% | 0.413 | 18% | 0.179 | S | C | . | . | trans | -80.3 | 164.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | G142 D143 | A140-G142 PolarHBondContact O-N 3.35Å; A140-D143 WeakPolarHBondContact CB-OD2 3.32Å; A140-D143 PolarHBondContact N-OD2 2.89Å; A140-D143 VanDerWaalsContact O-CB 3.29Å; A140-D143 WeakPolarHBondContact O-CB 3.18Å; A140-D143 VanDerWaalsContact O-CG 3.29Å; A140-D143 PolarHBondContact O-N 3.3Å | ||
| 141 | V | 92.6 | Very high | 96.4 | Very high | 92 Ų | 92 | 33.2 Ų | 33.2 | 56% | 0.558 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | 125.9 | 177.8 | 171 | 0 | 0 | 0 | 0 | 110.3 | E324 D327 | V141-E324 HydrophobicContact CG2-CG 4.43Å; V141-D327 WeakPolarHBondContact CA-OD2 3.17Å; V141-D327 HydrophobicContact CG2-CB 4.29Å |
| 142 | G | 92.4 | Very high | 96.2 | Very high | 22 Ų | 22 | 37.5 Ų | 37.5 | 23% | 0.227 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | A140 A144 S145 D327 | A140-G142 PolarHBondContact O-N 3.35Å; G142-A144 VanDerWaalsContact C-N 3.34Å; G142-A144 PolarHBondContact O-N 3.3Å; G142-S145 PolarHBondContact O-N 2.97Å; G142-S145 VanDerWaalsContact O-N 3.16Å; G142-S145 PolarHBondContact O-OG 3.11Å; G142-D327 PolarHBondContact N-OD2 3.28Å |
| 143 | D | 94.4 | Very high | 95.9 | Very high | 34 Ų | 34 | 41 Ų | 41 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -62.2 | -39.1 | 179.4 | -73.6 | -1.6 | 0 | 0 | 0 | 112.9 | L139 A140 S145 R146 | L139-D143 HydrophobicContact CB-CB 4.08Å; L139-D143 HydrophobicContact CD2-CB 4.11Å; A140-D143 WeakPolarHBondContact CB-OD2 3.32Å; A140-D143 PolarHBondContact N-OD2 2.89Å; A140-D143 VanDerWaalsContact O-CB 3.29Å; A140-D143 WeakPolarHBondContact O-CB 3.18Å; A140-D143 VanDerWaalsContact O-CG 3.29Å; A140-D143 PolarHBondContact O-N 3.3Å; D143-S145 PolarHBondContact O-N 2.78Å; D143-S145 VanDerWaalsContact O-N 3.16Å; D143-R146 PolarHBondContact O-N 2.86Å; D143-R146 IonicContact OD1-CZ 3.35Å; D143-R146 IonicContact OD1-NH1 2.78Å; D143-R146 PolarHBondContact OD1-NH1 3.28Å; D143-R146 IonicContact OD1-NH2 3.77Å; D143-R146 PolarHBondContact OD1-NH2 2.95Å |
| 144 | A | 95.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -58.8 | -27.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G142 R146 M147 L150 H151 F328 Y331 | G142-A144 VanDerWaalsContact C-N 3.34Å; G142-A144 PolarHBondContact O-N 3.3Å; A144-R146 PolarHBondContact O-N 2.99Å; A144-M147 PolarHBondContact O-N 3.07Å; A144-L150 HydrophobicContact CB-CD1 4.31Å; A144-H151 PolarHBondContact O-CE1 3.1Å; A144-F328 HydrophobicContact CB-CD2 3.94Å; A144-F328 HydrophobicContact CB-CE2 4.35Å; A144-Y331 HydrophobicContact CB-CD1 3.97Å |
| 145 | S | 95.6 | Very high | 95.2 | Very high | 57 Ų | 57 | 56.2 Ų | 56.2 | 40% | 0.399 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -74.3 | -11.2 | 177.8 | 71.9 | 0 | 0 | 0 | 0 | 114.1 | G142 D143 Y331 | G142-S145 PolarHBondContact O-N 2.97Å; G142-S145 VanDerWaalsContact O-N 3.16Å; G142-S145 PolarHBondContact O-OG 3.11Å; D143-S145 PolarHBondContact O-N 2.78Å; D143-S145 VanDerWaalsContact O-N 3.16Å; S145-Y331 WeakPolarHBondContact CA-OH 3.43Å; S145-Y331 VanDerWaalsContact CB-OH 3.3Å; S145-Y331 WeakPolarHBondContact CB-OH 3.38Å |
| 146 | R | 94.9 | Very high | 95.2 | Very high | 164 Ų | 164 | 58 Ų | 58 | 62% | 0.619 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -101.4 | -9.1 | 178.9 | -51.5 | -165.1 | -55.5 | -82.4 | 2 | 113.4 | D143 A144 E148 | D143-R146 PolarHBondContact O-N 2.86Å; D143-R146 IonicContact OD1-CZ 3.35Å; D143-R146 IonicContact OD1-NH1 2.78Å; D143-R146 PolarHBondContact OD1-NH1 3.28Å; D143-R146 IonicContact OD1-NH2 3.77Å; D143-R146 PolarHBondContact OD1-NH2 2.95Å; A144-R146 PolarHBondContact O-N 2.99Å; R146-E148 PolarHBondContact O-N 3.5Å |
| 147 | M | 96.2 | Very high | 95.2 | Very high | 10 Ų | 10 | 59.2 Ų | 59.2 | 5% | 0.049 | 34% | 0.335 | C | S | . | . | trans | -81.3 | 96.7 | 176 | -65.9 | 178.1 | 175.3 | 0 | 0 | 109.9 | L111 P112 M121 L139 A144 H149 L150 H151 | L111-M147 HydrophobicContact CB-SD 4.34Å; L111-M147 HydrophobicContact CD1-SD 4.41Å; P112-M147 HydrophobicContact CG-CE 4.22Å; P112-M147 WeakPolarHBondContact O-CE 3.21Å; M121-M147 HydrophobicContact CE-CE 3.79Å; M121-M147 HydrophobicContact CE-SD 3.59Å; M121-M147 VanDerWaalsContact CE-SD 3.59Å; L139-M147 HydrophobicContact CD1-CE 3.68Å; L139-M147 HydrophobicContact CD1-SD 4.47Å; L139-M147 HydrophobicContact CD2-CE 3.49Å; L139-M147 VanDerWaalsContact CD2-CE 3.49Å; L139-M147 HydrophobicContact CG-CE 4.25Å; A144-M147 PolarHBondContact O-N 3.07Å; M147-H149 PolarHBondContact O-N 2.92Å; M147-H149 VanDerWaalsContact O-N 3.1Å; M147-L150 HydrophobicContact CB-CB 4.46Å; M147-L150 HydrophobicContact CB-CD1 3.84Å; M147-L150 HydrophobicContact CB-CG 4.06Å; M147-L150 HydrophobicContact CG-CD1 4.36Å; M147-L150 PolarHBondContact O-N 2.99Å; M147-L150 HydrophobicContact SD-CD1 3.7Å; M147-H151 PolarHBondContact O-CE1 3.26Å; M147-H151 PolarHBondContact O-ND1 3.05Å | ||
| 148 | E | 96.1 | Very high | 95.1 | Very high | 158 Ų | 158 | 63.9 Ų | 63.9 | 74% | 0.738 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -54.4 | -36.5 | -174.2 | -61 | -165.3 | 172.8 | 0 | 0 | 112.7 | R146 L150 H151 | R146-E148 PolarHBondContact O-N 3.5Å; E148-L150 VanDerWaalsContact C-N 3.27Å; E148-L150 PolarHBondContact O-N 2.92Å; E148-H151 WeakPolarHBondContact O-CA 3.42Å; E148-H151 VanDerWaalsContact O-CB 3.31Å; E148-H151 WeakPolarHBondContact O-CB 2.86Å; E148-H151 PolarHBondContact O-N 2.99Å |
| 149 | H | 97.1 | Very high | 95.2 | Very high | 49 Ų | 49 | 63.4 Ų | 63.4 | 23% | 0.227 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -73.8 | -9.7 | -177.3 | -69.7 | -91.8 | 0 | 0 | 0 | 115.3 | E88 P90 T109 L111 L123 M147 H151 K157 | E88-H149 PolarHBondContact O-CE1 2.76Å; E88-H149 VanDerWaalsContact O-CE1 3.24Å; E88-H149 PolarHBondContact O-NE2 3.4Å; E88-H149 VanDerWaalsContact O-NE2 3.08Å; P90-H149 WeakPolarHBondContact CG-ND1 3.47Å; T109-H149 HydrophobicContact CG2-CB 3.89Å; L111-H149 HydrophobicContact CD2-CB 3.78Å; L123-H149 VanDerWaalsContact CD2-O 3.23Å; L123-H149 WeakPolarHBondContact CD2-O 3.2Å; M147-H149 PolarHBondContact O-N 2.92Å; M147-H149 VanDerWaalsContact O-N 3.1Å; H149-H151 PolarHBondContact O-N 3.04Å; H149-K157 WeakPolarHBondContact O-CD 3.39Å; H149-K157 WeakPolarHBondContact O-CE 3.32Å; H149-K157 PolarHBondContact O-NZ 2.69Å |
| 150 | L | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -77.8 | -4 | 165 | -69.2 | 175.7 | 0 | 0 | 0 | 112.6 | L111 L132 A144 M147 E148 V156 K157 L332 | L111-L150 HydrophobicContact CD1-CD1 4.25Å; L111-L150 HydrophobicContact CD1-CD2 3.47Å; L111-L150 VanDerWaalsContact CD1-CD2 3.47Å; L111-L150 HydrophobicContact CD1-CG 3.69Å; L132-L150 HydrophobicContact CD1-CD2 4.48Å; L132-L150 HydrophobicContact CD2-CD2 4.05Å; A144-L150 HydrophobicContact CB-CD1 4.31Å; M147-L150 HydrophobicContact CB-CB 4.46Å; M147-L150 HydrophobicContact CB-CD1 3.84Å; M147-L150 HydrophobicContact CB-CG 4.06Å; M147-L150 HydrophobicContact CG-CD1 4.36Å; M147-L150 PolarHBondContact O-N 2.99Å; M147-L150 HydrophobicContact SD-CD1 3.7Å; E148-L150 VanDerWaalsContact C-N 3.27Å; E148-L150 PolarHBondContact O-N 2.92Å; L150-V156 CarbonylContact O-C 3.53Å; L150-V156 WeakPolarHBondContact O-CA 3.2Å; L150-V156 WeakPolarHBondContact O-CG1 3.39Å; L150-K157 PolarHBondContact O-N 3.37Å; L150-L332 HydrophobicContact CD1-CD2 4.2Å; L150-L332 HydrophobicContact CD2-CD2 4.46Å |
| 151 | H | 97.8 | Very high | 95.5 | Very high | 30 Ų | 30 | 63.8 Ų | 63.8 | 14% | 0.139 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 160.2 | -172.8 | -56.8 | 85 | 0 | 0 | 0 | 113.5 | A144 M147 E148 H149 R155 K157 Y331 | A144-H151 PolarHBondContact O-CE1 3.1Å; M147-H151 PolarHBondContact O-CE1 3.26Å; M147-H151 PolarHBondContact O-ND1 3.05Å; E148-H151 WeakPolarHBondContact O-CA 3.42Å; E148-H151 VanDerWaalsContact O-CB 3.31Å; E148-H151 WeakPolarHBondContact O-CB 2.86Å; E148-H151 PolarHBondContact O-N 2.99Å; H149-H151 PolarHBondContact O-N 3.04Å; H151-R155 CarbonylContact C-O 3.6Å; H151-R155 WeakPolarHBondContact CA-O 3.46Å; H151-R155 WeakPolarHBondContact CB-O 3.38Å; H151-K157 WeakPolarHBondContact O-CE 3.33Å; H151-Y331 AromaticContact NE2-CE1 3.47Å; H151-Y331 WeakPolarHBondContact NE2-CE1 3.4Å; H151-Y331 AromaticContact NE2-CZ 3.68Å; H151-Y331 PolarHBondContact NE2-OH 3.17Å |
| 152 | S | 94 | Very high | 95.8 | Very high | 89 Ų | 89 | 59.4 Ų | 59.4 | 62% | 0.622 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 99.3 | 167.9 | -173 | 0 | 0 | 0 | 0 | 107.9 | R155 | S152-R155 PolarHBondContact N-O 2.98Å |
| 153 | G | 91.9 | Very high | 96.1 | Very high | 73 Ų | 73 | 58.8 Ų | 58.8 | 75% | 0.753 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | -137 | -162.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R155 | G153-R155 VanDerWaalsContact C-N 3.25Å; G153-R155 PolarHBondContact O-N 3.25Å |
| 154 | S | 89.8 | Confident | 96.3 | Very high | 124 Ų | 124 | 57.1 Ų | 57.1 | 87% | 0.867 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 22.9 | -178.2 | 58.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 155 | R | 94.3 | Very high | 96.4 | Very high | 197 Ų | 197 | 57 Ų | 57 | 74% | 0.743 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 145.9 | -178.8 | -66.9 | -179.9 | 177.7 | -114.4 | -2.6 | 110.3 | H151 S152 G153 | H151-R155 CarbonylContact C-O 3.6Å; H151-R155 WeakPolarHBondContact CA-O 3.46Å; H151-R155 WeakPolarHBondContact CB-O 3.38Å; S152-R155 PolarHBondContact N-O 2.98Å; G153-R155 VanDerWaalsContact C-N 3.25Å; G153-R155 PolarHBondContact O-N 3.25Å |
| 156 | V | 96.9 | Very high | 96.4 | Very high | 39 Ų | 39 | 54.3 Ų | 54.3 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 143.3 | 166.8 | -172 | 0 | 0 | 0 | 0 | 109.1 | L150 Y331 L332 | L150-V156 CarbonylContact O-C 3.53Å; L150-V156 WeakPolarHBondContact O-CA 3.2Å; L150-V156 WeakPolarHBondContact O-CG1 3.39Å; V156-Y331 HydrophobicContact CG2-CD1 3.9Å; V156-Y331 HydrophobicContact CG2-CE1 3.45Å; V156-Y331 VanDerWaalsContact CG2-CE1 3.45Å; V156-L332 HydrophobicContact CG1-CD2 3.74Å |
| 157 | K | 97.5 | Very high | 96.4 | Very high | 29 Ų | 29 | 47.7 Ų | 47.7 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | trans | -58.7 | 152.2 | 173.7 | -74 | 175.6 | 174.6 | 179.2 | 0 | 110.7 | L123 E125 H149 L150 H151 I159 | L123-K157 HydrophobicContact CD2-CD 3.96Å; E125-K157 VanDerWaalsContact OE1-CD 3.32Å; E125-K157 WeakPolarHBondContact OE1-CD 3.1Å; E125-K157 WeakPolarHBondContact OE1-CE 3.14Å; E125-K157 IonicContact OE1-NZ 3.16Å; E125-K157 PolarHBondContact OE1-NZ 2.8Å; E125-K157 IonicContact OE2-NZ 3.02Å; E125-K157 PolarHBondContact OE2-NZ 3.08Å; H149-K157 WeakPolarHBondContact O-CD 3.39Å; H149-K157 WeakPolarHBondContact O-CE 3.32Å; H149-K157 PolarHBondContact O-NZ 2.69Å; L150-K157 PolarHBondContact O-N 3.37Å; H151-K157 WeakPolarHBondContact O-CE 3.33Å; K157-I159 PolarHBondContact O-N 3.34Å | ||
| 158 | D | 96.9 | Very high | 96.2 | Very high | 97 Ų | 97 | 47.7 Ų | 47.7 | 52% | 0.519 | 26% | 0.264 | S | S | . | . | trans | -75.8 | 99.6 | 174.9 | -161.8 | -2.6 | 0 | 0 | 0 | 110 | N130 R360 | N130-D158 WeakPolarHBondContact CB-O 3.45Å; N130-D158 PolarHBondContact ND2-O 3.07Å; D158-R360 IonicContact OD1-CZ 3.16Å; D158-R360 IonicContact OD1-NH1 2.7Å; D158-R360 PolarHBondContact OD1-NH1 3.33Å; D158-R360 IonicContact OD1-NH2 2.73Å; D158-R360 PolarHBondContact OD1-NH2 2.92Å; D158-R360 IonicContact OD2-NH1 3.55Å | ||
| 159 | I | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 118.2 | -178.4 | -62.1 | 172.6 | 0 | 0 | 0 | 109.9 | K157 S161 V162 L332 P334 V335 | K157-I159 PolarHBondContact O-N 3.34Å; I159-S161 WeakPolarHBondContact CG2-O 3.45Å; I159-V162 HydrophobicContact CG2-CG2 3.81Å; I159-L332 HydrophobicContact CD1-CB 4.37Å; I159-L332 HydrophobicContact CD1-CD1 4.13Å; I159-L332 HydrophobicContact CD1-CD2 3.88Å; I159-L332 HydrophobicContact CD1-CG 4.35Å; I159-P334 HydrophobicContact CB-CB 4.22Å; I159-P334 HydrophobicContact CG2-CB 3.92Å; I159-P334 VanDerWaalsContact O-CA 3.24Å; I159-P334 WeakPolarHBondContact O-CA 3.14Å; I159-V335 PolarHBondContact O-N 2.88Å |
| 160 | Q | 98.1 | Very high | 95.9 | Very high | 73 Ų | 73 | 38 Ų | 38 | 34% | 0.341 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | -44.4 | 176.7 | 176 | 61.1 | 10.6 | 0 | 0 | 111.3 | E10 N130 V335 N336 | E10-Q160 HydrophobicContact CG-CG 4.27Å; N130-Q160 WeakPolarHBondContact O-CB 3.49Å; N130-Q160 PolarHBondContact O-N 3.38Å; Q160-V335 WeakPolarHBondContact O-CB 3.34Å; Q160-N336 PolarHBondContact NE2-ND2 3.25Å; Q160-N336 PolarHBondContact O-N 3.45Å; Q160-N336 PolarHBondContact O-ND2 3.32Å |
| 161 | S | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 139.4 | -175.4 | -69.7 | 0 | 0 | 0 | 0 | 112.3 | E10 V131 L132 I159 N336 | E10-S161 WeakPolarHBondContact OE1-CB 3.49Å; E10-S161 PolarHBondContact OE1-OG 2.86Å; V131-S161 WeakPolarHBondContact CA-O 3.21Å; L132-S161 PolarHBondContact N-O 2.96Å; I159-S161 WeakPolarHBondContact CG2-O 3.45Å; S161-N336 WeakPolarHBondContact CA-O 3.39Å |
| 162 | V | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.8 | 166.9 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | L132 T134 I159 L164 F328 L332 P334 N336 I337 F338 | L132-V162 HydrophobicContact CB-CG2 4.37Å; L132-V162 CarbonylContact O-C 3.54Å; L132-V162 WeakPolarHBondContact O-CA 3.29Å; T134-V162 HydrophobicContact CG2-CG1 4.24Å; I159-V162 HydrophobicContact CG2-CG2 3.81Å; V162-L164 HydrophobicContact CG1-CB 4.15Å; V162-L164 HydrophobicContact CG1-CD1 4.07Å; V162-F328 HydrophobicContact CG1-CE1 4.41Å; V162-L332 HydrophobicContact CG2-CD1 4.28Å; V162-P334 HydrophobicContact CB-CG 4.42Å; V162-P334 HydrophobicContact CG2-CB 3.67Å; V162-P334 HydrophobicContact CG2-CG 3.71Å; V162-N336 PolarHBondContact N-O 2.85Å; V162-I337 CarbonylContact O-C 3.55Å; V162-I337 WeakPolarHBondContact O-CA 3.13Å; V162-F338 PolarHBondContact O-N 3.06Å |
| 163 | Y | 98.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 110.8 | 170.8 | -73.5 | -91 | 0 | 0 | 0 | 108.1 | F4 M8 K9 V131 L132 Y133 T134 F338 | F4-Y163 AromaticContact CD2-CD1 3.62Å; F4-Y163 HydrophobicContact CD2-CD1 3.62Å; F4-Y163 AromaticContact CD2-CE1 3.94Å; F4-Y163 HydrophobicContact CD2-CE1 3.94Å; F4-Y163 AromaticContact CE2-CD1 3.37Å; F4-Y163 HydrophobicContact CE2-CD1 3.37Å; F4-Y163 AromaticContact CE2-CE1 3.5Å; F4-Y163 HydrophobicContact CE2-CE1 3.5Å; F4-Y163 HydrophobicContact CE2-CG 4.2Å; F4-Y163 HydrophobicContact CZ-CD1 4.27Å; M8-Y163 HydrophobicContact CB-CD2 4.4Å; M8-Y163 HydrophobicContact CB-CE2 3.75Å; M8-Y163 HydrophobicContact CG-CD2 3.83Å; M8-Y163 HydrophobicContact CG-CE2 3.69Å; M8-Y163 HydrophobicContact CG-CG 4.39Å; M8-Y163 HydrophobicContact SD-CD2 4.17Å; M8-Y163 HydrophobicContact SD-CE2 4.37Å; K9-Y163 PolarHBondContact N-OH 2.93Å; V131-Y163 HydrophobicContact CG1-CD2 3.67Å; V131-Y163 HydrophobicContact CG1-CE2 3.78Å; L132-Y163 PolarHBondContact O-N 3.33Å; Y133-Y163 HydrophobicContact CD2-CG 4.41Å; T134-Y163 PolarHBondContact N-O 3.05Å; T134-Y163 PolarHBondContact OG1-O 2.9Å; Y163-F338 HydrophobicContact CD1-CB 3.71Å; Y163-F338 HydrophobicContact CD1-CD2 4.12Å; Y163-F338 HydrophobicContact CD1-CG 4.31Å; Y163-F338 HydrophobicContact CD2-CD2 4.36Å; Y163-F338 HydrophobicContact CE1-CB 3.72Å; Y163-F338 AromaticContact CE1-CD2 3.54Å; Y163-F338 HydrophobicContact CE1-CD2 3.54Å; Y163-F338 HydrophobicContact CE1-CE2 4.47Å; Y163-F338 AromaticContact CE1-CG 3.86Å; Y163-F338 HydrophobicContact CE1-CG 3.86Å; Y163-F338 AromaticContact CE2-CD2 3.81Å; Y163-F338 HydrophobicContact CE2-CD2 3.81Å; Y163-F338 HydrophobicContact CE2-CE2 4.35Å; Y163-F338 HydrophobicContact CG-CB 4.42Å; Y163-F338 HydrophobicContact CG-CD2 4.49Å; Y163-F338 AromaticContact CZ-CD2 3.36Å; Y163-F338 AromaticContact CZ-CE2 3.94Å |
| 164 | L | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128.2 | -148.5 | -179 | 75 | 0 | 0 | 0 | 113.4 | T134 F137 V162 S166 I325 F328 L329 I337 F338 S340 L355 | T134-L164 HydrophobicContact CG2-CD1 4.24Å; F137-L164 HydrophobicContact CE1-CD1 3.72Å; F137-L164 HydrophobicContact CZ-CD1 4.02Å; V162-L164 HydrophobicContact CG1-CB 4.15Å; V162-L164 HydrophobicContact CG1-CD1 4.07Å; L164-S166 PolarHBondContact O-N 2.75Å; L164-S166 PolarHBondContact O-OG 2.82Å; L164-I325 HydrophobicContact CD1-CG2 4.37Å; L164-I325 HydrophobicContact CD2-CG2 3.93Å; L164-F328 HydrophobicContact CD1-CD1 4.18Å; L164-F328 HydrophobicContact CD1-CE1 4.06Å; L164-L329 HydrophobicContact CD1-CD2 4.17Å; L164-L329 HydrophobicContact CD2-CD1 3.85Å; L164-L329 HydrophobicContact CD2-CD2 4.2Å; L164-L329 HydrophobicContact CD2-CG 4.39Å; L164-I337 HydrophobicContact CB-CG2 4.16Å; L164-I337 HydrophobicContact CD2-CG2 3.82Å; L164-F338 PolarHBondContact N-O 3.1Å; L164-S340 PolarHBondContact N-OG 2.91Å; L164-S340 VanDerWaalsContact O-CB 3.31Å; L164-S340 WeakPolarHBondContact O-CB 3.33Å; L164-S340 PolarHBondContact O-N 2.93Å; L164-S340 PolarHBondContact O-OG 2.89Å; L164-L355 HydrophobicContact CD2-CD1 4.44Å; L164-L355 HydrophobicContact CD2-CD2 3.68Å |
| 165 | D | 98 | Very high | 94.5 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | trans | -55.6 | 111.6 | 161.1 | -173.9 | -9.8 | 0 | 0 | 0 | 109.4 | T134 D136 F137 T167 H319 | T134-D165 PolarHBondContact OG1-N 2.9Å; D136-D165 WeakPolarHBondContact CA-OD2 3.26Å; F137-D165 HydrophobicContact CD1-CB 3.45Å; F137-D165 VanDerWaalsContact CD1-CB 3.45Å; F137-D165 HydrophobicContact CE1-CB 3.71Å; F137-D165 PolarHBondContact N-OD2 2.82Å; F137-D165 VanDerWaalsContact N-OD2 3.11Å; D165-T167 WeakPolarHBondContact OD1-CB 3.34Å; D165-T167 PolarHBondContact OD1-N 2.86Å; D165-T167 PolarHBondContact OD1-OG1 2.86Å; D165-H319 IonicContact OD1-ND1 3.51Å; D165-H319 IonicContact OD2-CE1 2.96Å; D165-H319 IonicContact OD2-CG 2.86Å; D165-H319 IonicContact OD2-ND1 3.76Å; D165-H319 PolarHBondContact OD2-ND1 3.05Å | ||
| 166 | S | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -115.3 | 9.7 | -173 | 9.5 | 0 | 0 | 0 | 0 | 111.2 | L164 F168 Y169 P339 S340 V341 P343 | L164-S166 PolarHBondContact O-N 2.75Å; L164-S166 PolarHBondContact O-OG 2.82Å; S166-F168 VanDerWaalsContact C-N 3.27Å; S166-F168 PolarHBondContact O-N 3.08Å; S166-F168 VanDerWaalsContact O-N 3.12Å; S166-Y169 WeakPolarHBondContact O-CB 3.45Å; S166-Y169 PolarHBondContact O-N 2.92Å; S166-P339 WeakPolarHBondContact OG-CA 3.25Å; S166-P339 WeakPolarHBondContact OG-CB 3.47Å; S166-S340 PolarHBondContact OG-N 2.98Å; S166-S340 VanDerWaalsContact OG-N 3.13Å; S166-V341 VanDerWaalsContact CB-O 3.26Å; S166-V341 WeakPolarHBondContact CB-O 3.16Å; S166-V341 PolarHBondContact OG-N 3.39Å; S166-V341 PolarHBondContact OG-O 3.41Å; S166-V341 VanDerWaalsContact OG-O 3.04Å; S166-P343 VanDerWaalsContact O-CG 3.24Å; S166-P343 WeakPolarHBondContact O-CG 3.46Å | ||
| 167 | T | 93.8 | Very high | 94.1 | Very high | 25 Ų | 25 | 33.4 Ų | 33.4 | 15% | 0.153 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -42.8 | -171.1 | -60.9 | 0 | 0 | 0 | 0 | 113.1 | D165 | D165-T167 WeakPolarHBondContact OD1-CB 3.34Å; D165-T167 PolarHBondContact OD1-N 2.86Å; D165-T167 PolarHBondContact OD1-OG1 2.86Å |
| 168 | F | 93.3 | Very high | 93.8 | Very high | 10 Ų | 10 | 34.1 Ų | 34.1 | 4% | 0.044 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 26.7 | 175.4 | -58.2 | -49 | 0 | 0 | 0 | 113.8 | S166 D170 F173 I176 T291 M292 H319 | S166-F168 VanDerWaalsContact C-N 3.27Å; S166-F168 PolarHBondContact O-N 3.08Å; S166-F168 VanDerWaalsContact O-N 3.12Å; F168-D170 PolarHBondContact O-N 3.26Å; F168-F173 HydrophobicContact CB-CB 3.78Å; F168-F173 HydrophobicContact CB-CD1 4.48Å; F168-F173 HydrophobicContact CB-CD2 4.37Å; F168-F173 HydrophobicContact CB-CG 3.97Å; F168-F173 AromaticContact CD1-CD1 3.65Å; F168-F173 HydrophobicContact CD1-CD1 3.65Å; F168-F173 HydrophobicContact CD1-CD2 4.16Å; F168-F173 AromaticContact CD1-CE1 3.83Å; F168-F173 HydrophobicContact CD1-CE1 3.83Å; F168-F173 HydrophobicContact CD1-CE2 4.31Å; F168-F173 AromaticContact CD1-CG 3.85Å; F168-F173 HydrophobicContact CD1-CG 3.85Å; F168-F173 HydrophobicContact CD1-CZ 4.17Å; F168-F173 HydrophobicContact CE1-CD1 4.23Å; F168-F173 HydrophobicContact CE1-CE1 4.08Å; F168-F173 HydrophobicContact CG-CB 4.37Å; F168-F173 HydrophobicContact CG-CD1 4.2Å; F168-F173 HydrophobicContact CG-CG 4.18Å; F168-I176 HydrophobicContact CB-CD1 4.47Å; F168-I176 HydrophobicContact CD2-CD1 3.65Å; F168-I176 HydrophobicContact CE2-CD1 4.23Å; F168-I176 HydrophobicContact CG-CD1 4.2Å; F168-T291 HydrophobicContact CD2-CG2 4.31Å; F168-T291 HydrophobicContact CE1-CG2 4.48Å; F168-T291 HydrophobicContact CE2-CG2 3.7Å; F168-T291 HydrophobicContact CZ-CG2 3.82Å; F168-M292 HydrophobicContact CE1-CG 4.21Å; F168-M292 HydrophobicContact CZ-CG 4.5Å; F168-H319 HydrophobicContact CD2-CB 3.81Å; F168-H319 HydrophobicContact CE2-CB 3.84Å; F168-H319 AromaticContact CE2-CD2 3.87Å |
| 169 | Y | 94.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | trans | -77.2 | 57.9 | 174.9 | -162.7 | -106.7 | 0 | 0 | 0 | 112.8 | S166 Y322 I325 K326 L329 V351 M354 L355 M358 | S166-Y169 WeakPolarHBondContact O-CB 3.45Å; S166-Y169 PolarHBondContact O-N 2.92Å; Y169-Y322 HydrophobicContact CD1-CE2 4.39Å; Y169-Y322 AromaticContact CD2-CD2 3.57Å; Y169-Y322 HydrophobicContact CD2-CD2 3.57Å; Y169-Y322 AromaticContact CD2-CE2 3.86Å; Y169-Y322 HydrophobicContact CD2-CE2 3.86Å; Y169-Y322 HydrophobicContact CE1-CE2 4.15Å; Y169-Y322 AromaticContact CE2-CD2 3.73Å; Y169-Y322 HydrophobicContact CE2-CD2 3.73Å; Y169-Y322 AromaticContact CE2-CE2 3.57Å; Y169-Y322 HydrophobicContact CE2-CE2 3.57Å; Y169-Y322 HydrophobicContact CG-CD2 4.04Å; Y169-Y322 HydrophobicContact CG-CE2 4.26Å; Y169-Y322 AromaticContact CZ-CE2 3.73Å; Y169-I325 HydrophobicContact CD2-CB 4.02Å; Y169-I325 HydrophobicContact CD2-CD1 4.22Å; Y169-I325 HydrophobicContact CD2-CG2 3.51Å; Y169-I325 HydrophobicContact CE2-CB 4.49Å; Y169-I325 HydrophobicContact CE2-CG2 3.87Å; Y169-K326 HydrophobicContact CE2-CG 4.12Å; Y169-L329 HydrophobicContact CE2-CD1 4.45Å; Y169-V351 HydrophobicContact CD1-CG1 4.34Å; Y169-M354 HydrophobicContact CD1-CE 4.12Å; Y169-M354 HydrophobicContact CE1-CB 3.8Å; Y169-M354 HydrophobicContact CE1-CE 3.95Å; Y169-M354 PolarHBondContact OH-O 3.11Å; Y169-L355 HydrophobicContact CD1-CD2 3.75Å; Y169-L355 HydrophobicContact CD1-CG 3.92Å; Y169-L355 HydrophobicContact CD2-CD2 4.32Å; Y169-L355 HydrophobicContact CE1-CD2 3.35Å; Y169-L355 HydrophobicContact CE1-CG 3.56Å; Y169-L355 HydrophobicContact CE2-CD2 3.99Å; Y169-L355 HydrophobicContact CG-CD2 4.22Å; Y169-L355 VanDerWaalsContact CZ-CD2 3.49Å; Y169-M358 WeakPolarHBondContact OH-CG 3.49Å | ||
| 170 | D | 91.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -140.9 | 133.4 | 173.7 | 178.4 | -44.4 | 0 | 0 | 0 | 109.1 | F168 R172 F173 P343 R346 | F168-D170 PolarHBondContact O-N 3.26Å; D170-R172 VanDerWaalsContact CG-NE 3.31Å; D170-R172 PolarHBondContact O-N 3.04Å; D170-R172 WeakPolarHBondContact OD1-CB 3.05Å; D170-R172 WeakPolarHBondContact OD1-CG 3.48Å; D170-R172 PolarHBondContact OD1-N 2.79Å; D170-R172 IonicContact OD1-NE 3.91Å; D170-R172 PolarHBondContact OD1-NE 2.92Å; D170-R172 IonicContact OD2-CZ 2.8Å; D170-R172 VanDerWaalsContact OD2-CZ 3.29Å; D170-R172 IonicContact OD2-NE 2.72Å; D170-R172 PolarHBondContact OD2-NE 3.11Å; D170-R172 IonicContact OD2-NH2 3.29Å; D170-R172 PolarHBondContact OD2-NH2 3.49Å; D170-F173 HydrophobicContact CB-CD2 4.08Å; D170-F173 HydrophobicContact CB-CE2 4.47Å; D170-F173 PolarHBondContact O-N 3.09Å; D170-P343 HydrophobicContact CB-CB 4.5Å; D170-R346 VanDerWaalsContact CG-NH2 3.35Å; D170-R346 IonicContact OD1-NH2 3.32Å; D170-R346 PolarHBondContact OD1-NH2 2.86Å; D170-R346 IonicContact OD2-CZ 3.29Å; D170-R346 VanDerWaalsContact OD2-CZ 3.29Å; D170-R346 IonicContact OD2-NE 2.72Å; D170-R346 PolarHBondContact OD2-NE 3.07Å; D170-R346 IonicContact OD2-NH2 2.97Å; D170-R346 PolarHBondContact OD2-NH2 2.88Å |
| 171 | P | 89.5 | Confident | 92.9 | Very high | 61 Ų | 61 | 38 Ų | 38 | 40% | 0.396 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -50.6 | -21.6 | 178.9 | -30.4 | 35.4 | 0 | 0 | 0 | 116.7 | F173 Y174 Y322 | P171-F173 PolarHBondContact O-N 3.41Å; P171-Y174 WeakPolarHBondContact O-CB 3.14Å; P171-Y174 PolarHBondContact O-N 3.4Å; P171-Y322 HydrophobicContact CB-CE1 4.44Å; P171-Y322 HydrophobicContact CG-CE1 4.02Å; P171-Y322 HydrophobicContact CG-CE2 4.24Å |
| 172 | R | 86.6 | Confident | 92.6 | Very high | 106 Ų | 106 | 38.1 Ų | 38.1 | 40% | 0.4 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -54.6 | -39.5 | 169.2 | -69.5 | 176.2 | -72.2 | 157.4 | -2.1 | 111.6 | D170 Y174 K300 I344 | D170-R172 VanDerWaalsContact CG-NE 3.31Å; D170-R172 PolarHBondContact O-N 3.04Å; D170-R172 WeakPolarHBondContact OD1-CB 3.05Å; D170-R172 WeakPolarHBondContact OD1-CG 3.48Å; D170-R172 PolarHBondContact OD1-N 2.79Å; D170-R172 IonicContact OD1-NE 3.91Å; D170-R172 PolarHBondContact OD1-NE 2.92Å; D170-R172 IonicContact OD2-CZ 2.8Å; D170-R172 VanDerWaalsContact OD2-CZ 3.29Å; D170-R172 IonicContact OD2-NE 2.72Å; D170-R172 PolarHBondContact OD2-NE 3.11Å; D170-R172 IonicContact OD2-NH2 3.29Å; D170-R172 PolarHBondContact OD2-NH2 3.49Å; R172-Y174 VanDerWaalsContact C-N 3.27Å; R172-Y174 PolarHBondContact O-N 3.14Å; R172-K300 PolarHBondContact O-NZ 3.11Å; R172-I344 PolarHBondContact NH2-O 2.81Å |
| 173 | F | 88.8 | Confident | 92.4 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 6% | 0.057 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -91.5 | 29 | 177.2 | -51.5 | -87.1 | 0 | 0 | 0 | 112.3 | F168 D170 P171 Q175 S321 Y322 | F168-F173 HydrophobicContact CB-CB 3.78Å; F168-F173 HydrophobicContact CB-CD1 4.48Å; F168-F173 HydrophobicContact CB-CD2 4.37Å; F168-F173 HydrophobicContact CB-CG 3.97Å; F168-F173 AromaticContact CD1-CD1 3.65Å; F168-F173 HydrophobicContact CD1-CD1 3.65Å; F168-F173 HydrophobicContact CD1-CD2 4.16Å; F168-F173 AromaticContact CD1-CE1 3.83Å; F168-F173 HydrophobicContact CD1-CE1 3.83Å; F168-F173 HydrophobicContact CD1-CE2 4.31Å; F168-F173 AromaticContact CD1-CG 3.85Å; F168-F173 HydrophobicContact CD1-CG 3.85Å; F168-F173 HydrophobicContact CD1-CZ 4.17Å; F168-F173 HydrophobicContact CE1-CD1 4.23Å; F168-F173 HydrophobicContact CE1-CE1 4.08Å; F168-F173 HydrophobicContact CG-CB 4.37Å; F168-F173 HydrophobicContact CG-CD1 4.2Å; F168-F173 HydrophobicContact CG-CG 4.18Å; D170-F173 HydrophobicContact CB-CD2 4.08Å; D170-F173 HydrophobicContact CB-CE2 4.47Å; D170-F173 PolarHBondContact O-N 3.09Å; P171-F173 PolarHBondContact O-N 3.41Å; F173-Q175 VanDerWaalsContact C-N 3.3Å; F173-Q175 PolarHBondContact O-N 3.25Å; F173-Q175 VanDerWaalsContact O-N 3.14Å; F173-S321 WeakPolarHBondContact O-CB 3.41Å; F173-Y322 PolarHBondContact O-N 2.67Å; F173-Y322 VanDerWaalsContact O-N 3.12Å |
| 174 | Y | 88.8 | Confident | 92.3 | Very high | 119 Ų | 119 | 44.3 Ų | 44.3 | 47% | 0.467 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -41.5 | -55.5 | -176 | -168.2 | -96.3 | 0 | 0 | 0 | 112.8 | P171 R172 Y322 S323 | P171-Y174 WeakPolarHBondContact O-CB 3.14Å; P171-Y174 PolarHBondContact O-N 3.4Å; R172-Y174 VanDerWaalsContact C-N 3.27Å; R172-Y174 PolarHBondContact O-N 3.14Å; Y174-Y322 AromaticContact CD2-CD1 3.66Å; Y174-Y322 HydrophobicContact CD2-CD1 3.66Å; Y174-Y322 HydrophobicContact CD2-CE1 4.05Å; Y174-Y322 HydrophobicContact CE2-CD1 4.09Å; Y174-Y322 HydrophobicContact CE2-CE1 4.21Å; Y174-S323 WeakPolarHBondContact O-CB 3.49Å; Y174-S323 PolarHBondContact O-N 2.85Å; Y174-S323 PolarHBondContact O-OG 3.11Å |
| 175 | Q | 89 | Confident | 92.1 | Very high | 121 Ų | 121 | 44.7 Ų | 44.7 | 57% | 0.565 | 22% | 0.217 | S | C | * | . | trans | -122.6 | 146 | 169.4 | -78.7 | 162.8 | -14.2 | 0 | 0 | 110.3 | F173 K300 | F173-Q175 VanDerWaalsContact C-N 3.3Å; F173-Q175 PolarHBondContact O-N 3.25Å; F173-Q175 VanDerWaalsContact O-N 3.14Å; Q175-K300 PolarHBondContact O-NZ 3.32Å | ||
| 176 | I | 90.7 | Very high | 92 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.062 | 22% | 0.217 | C | C | . | . | trans | -119 | 140.6 | 163.7 | -61.9 | 164.7 | 0 | 0 | 0 | 106 | F168 T291 | F168-I176 HydrophobicContact CB-CD1 4.47Å; F168-I176 HydrophobicContact CD2-CD1 3.65Å; F168-I176 HydrophobicContact CE2-CD1 4.23Å; F168-I176 HydrophobicContact CG-CD1 4.2Å; I176-T291 HydrophobicContact CD1-CG2 3.62Å; I176-T291 HydrophobicContact CG1-CG2 3.97Å; I176-T291 HydrophobicContact CG2-CG2 4.06Å | ||
| 177 | P | 91.1 | Very high | 92.1 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 16% | 0.156 | 22% | 0.224 | C | C | . | . | trans | -58 | 148.5 | 176.8 | -22 | 33.2 | 0 | 0 | 0 | 112.1 | R138 V181 F294 V303 | R138-P177 PolarHBondContact NH1-O 3.35Å; R138-P177 PolarHBondContact NH2-O 2.9Å; P177-V181 HydrophobicContact CB-CB 4.38Å; P177-V181 HydrophobicContact CB-CG1 4.16Å; P177-F294 VanDerWaalsContact CD-CE1 3.44Å; P177-F294 HydrophobicContact CG-CD1 4.29Å; P177-F294 HydrophobicContact CG-CE1 3.59Å; P177-F294 HydrophobicContact CG-CE2 4.17Å; P177-F294 HydrophobicContact CG-CZ 3.53Å; P177-V303 HydrophobicContact CB-CG1 3.93Å; P177-V303 HydrophobicContact CG-CG1 3.82Å | ||
| 178 | S | 90.4 | Very high | 92.2 | Very high | 44 Ų | 44 | 49.7 Ų | 49.7 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | trans | -65.8 | 165.5 | -179.4 | 82.3 | 0 | 0 | 0 | 0 | 111.8 | E180 V181 C182 | S178-E180 WeakPolarHBondContact CB-OE2 3.31Å; S178-E180 PolarHBondContact O-N 3.49Å; S178-E180 PolarHBondContact OG-OE2 3.16Å; S178-V181 PolarHBondContact O-N 2.83Å; S178-V181 WeakPolarHBondContact OG-CG2 3.5Å; S178-V181 PolarHBondContact OG-N 3.34Å; S178-C182 WeakPolarHBondContact O-CB 3.31Å; S178-C182 PolarHBondContact O-N 3.31Å; S178-C182 PolarHBondContact O-SG 2.78Å | ||
| 179 | R | 90.4 | Very high | 92.4 | Very high | 58 Ų | 58 | 50.7 Ų | 50.7 | 22% | 0.219 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.2 | -38.7 | -178.2 | -71.7 | -173.2 | 141.2 | 125.9 | 4.2 | 111.9 | G114 R138 C182 L183 Y214 | G114-R179 PolarHBondContact O-NH1 3.37Å; G114-R179 PolarHBondContact O-NH2 3Å; R138-R179 PolarHBondContact O-NH1 2.77Å; R179-C182 PolarHBondContact O-N 3.34Å; R179-L183 WeakPolarHBondContact O-CB 3.5Å; R179-L183 PolarHBondContact O-N 2.55Å; R179-Y214 HydrophobicContact CB-CE1 4.42Å |
| 180 | E | 91.8 | Very high | 92.6 | Very high | 114 Ų | 114 | 50.6 Ų | 50.6 | 53% | 0.533 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.6 | -42.9 | -178.2 | -48.8 | 66.9 | -135.7 | 0 | 0 | 110.4 | S178 K184 | S178-E180 WeakPolarHBondContact CB-OE2 3.31Å; S178-E180 PolarHBondContact O-N 3.49Å; S178-E180 PolarHBondContact OG-OE2 3.16Å; E180-K184 WeakPolarHBondContact O-CB 3.1Å; E180-K184 PolarHBondContact O-N 2.94Å |
| 181 | V | 92.5 | Very high | 92.9 | Very high | 80 Ų | 80 | 51.7 Ų | 51.7 | 49% | 0.485 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.6 | -39.4 | 176.2 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | P177 S178 G185 V303 | P177-V181 HydrophobicContact CB-CB 4.38Å; P177-V181 HydrophobicContact CB-CG1 4.16Å; S178-V181 PolarHBondContact O-N 2.83Å; S178-V181 WeakPolarHBondContact OG-CG2 3.5Å; S178-V181 PolarHBondContact OG-N 3.34Å; V181-G185 PolarHBondContact O-N 2.76Å; V181-V303 HydrophobicContact CG1-CG1 4.03Å |
| 182 | C | 92.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.7 | -50.8 | 174.5 | -67.7 | 0 | 0 | 0 | 0 | 111.5 | S178 R179 G185 I186 C315 F316 | S178-C182 WeakPolarHBondContact O-CB 3.31Å; S178-C182 PolarHBondContact O-N 3.31Å; S178-C182 PolarHBondContact O-SG 2.78Å; R179-C182 PolarHBondContact O-N 3.34Å; C182-G185 PolarHBondContact O-N 3.5Å; C182-I186 WeakPolarHBondContact O-CG1 3.4Å; C182-I186 PolarHBondContact O-N 3.23Å; C182-C315 WeakPolarHBondContact CB-O 3.46Å; C182-C315 PolarHBondContact SG-O 3.05Å; C182-F316 HydrophobicContact CB-CD2 4.36Å |
| 183 | L | 94.3 | Very high | 93.8 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.7 | -50 | 179.3 | 173.3 | 61.9 | 0 | 0 | 0 | 111.2 | R179 G185 I186 L187 Y214 L215 N218 | R179-L183 WeakPolarHBondContact O-CB 3.5Å; R179-L183 PolarHBondContact O-N 2.55Å; L183-G185 VanDerWaalsContact C-N 3.33Å; L183-G185 PolarHBondContact O-N 3.32Å; L183-I186 CarbonylContact O-C 3.52Å; L183-I186 WeakPolarHBondContact O-CA 3.23Å; L183-I186 WeakPolarHBondContact O-CB 3.32Å; L183-I186 PolarHBondContact O-N 2.65Å; L183-L187 HydrophobicContact CD1-CD1 3.98Å; L183-L187 HydrophobicContact CD1-CD2 4.39Å; L183-L187 HydrophobicContact CD1-CG 3.98Å; L183-L187 HydrophobicContact CD2-CD1 4.4Å; L183-L187 HydrophobicContact CG-CD1 3.75Å; L183-L187 HydrophobicContact CG-CG 4.23Å; L183-L187 WeakPolarHBondContact O-CG 3.34Å; L183-L187 PolarHBondContact O-N 2.69Å; L183-Y214 HydrophobicContact CD2-CE1 4.06Å; L183-L215 HydrophobicContact CD1-CD1 3.63Å; L183-N218 HydrophobicContact CD1-CB 3.75Å; L183-N218 HydrophobicContact CD2-CB 3.73Å; L183-N218 WeakPolarHBondContact CD2-OD1 3.41Å; L183-N218 HydrophobicContact CG-CB 4.35Å |
| 184 | K | 95.6 | Very high | 94.2 | Very high | 127 Ų | 127 | 52.1 Ų | 52.1 | 55% | 0.552 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -56 | -44.8 | 178.7 | 178.3 | 168.6 | 175.6 | 168.8 | 0 | 112.4 | E180 I186 L187 E188 | E180-K184 WeakPolarHBondContact O-CB 3.1Å; E180-K184 PolarHBondContact O-N 2.94Å; K184-I186 VanDerWaalsContact C-N 3.26Å; K184-I186 PolarHBondContact O-N 2.94Å; K184-L187 PolarHBondContact O-N 2.91Å; K184-E188 WeakPolarHBondContact CE-OE1 3.34Å; K184-E188 HydrophobicContact CG-CG 4.42Å; K184-E188 IonicContact NZ-OE1 3.78Å; K184-E188 WeakPolarHBondContact O-CB 3.4Å; K184-E188 WeakPolarHBondContact O-CG 3.46Å; K184-E188 PolarHBondContact O-N 2.9Å |
| 185 | G | 94.8 | Very high | 94.6 | Very high | 8 Ų | 8 | 49.6 Ų | 49.6 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.2 | -31.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V181 C182 L183 L189 I304 | V181-G185 PolarHBondContact O-N 2.76Å; C182-G185 PolarHBondContact O-N 3.5Å; L183-G185 VanDerWaalsContact C-N 3.33Å; L183-G185 PolarHBondContact O-N 3.32Å; G185-L189 WeakPolarHBondContact O-CB 3.47Å; G185-L189 PolarHBondContact O-N 3.09Å; G185-I304 WeakPolarHBondContact O-CD1 3.46Å; G185-I304 WeakPolarHBondContact O-CG1 3.38Å |
| 186 | I | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -75.5 | -44.5 | 175.1 | -64.6 | 163.8 | 0 | 0 | 0 | 110.8 | C182 L183 K184 L189 I190 L215 I304 A314 F316 | C182-I186 WeakPolarHBondContact O-CG1 3.4Å; C182-I186 PolarHBondContact O-N 3.23Å; L183-I186 CarbonylContact O-C 3.52Å; L183-I186 WeakPolarHBondContact O-CA 3.23Å; L183-I186 WeakPolarHBondContact O-CB 3.32Å; L183-I186 PolarHBondContact O-N 2.65Å; K184-I186 VanDerWaalsContact C-N 3.26Å; K184-I186 PolarHBondContact O-N 2.94Å; I186-L189 PolarHBondContact O-N 2.98Å; I186-I190 HydrophobicContact CG2-CD1 3.61Å; I186-I190 HydrophobicContact CG2-CG1 4.25Å; I186-I190 WeakPolarHBondContact O-CB 3.01Å; I186-I190 VanDerWaalsContact O-CG1 3.3Å; I186-I190 WeakPolarHBondContact O-CG1 3.48Å; I186-I190 PolarHBondContact O-N 3.32Å; I186-L215 HydrophobicContact CB-CD1 4.33Å; I186-L215 HydrophobicContact CD1-CD1 4.06Å; I186-L215 HydrophobicContact CD1-CD2 4.12Å; I186-L215 HydrophobicContact CG2-CD1 3.92Å; I186-I304 HydrophobicContact CG1-CD1 4.24Å; I186-A314 HydrophobicContact CD1-CB 4.01Å; I186-A314 HydrophobicContact CG1-CB 3.61Å; I186-F316 HydrophobicContact CD1-CD2 4.06Å |
| 187 | L | 97.5 | Very high | 95.2 | Very high | 27 Ų | 27 | 50.2 Ų | 50.2 | 14% | 0.141 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.8 | -51.1 | 174.8 | -67.5 | 166.2 | 0 | 0 | 0 | 110.5 | L183 K184 L189 I190 G191 L219 E222 F223 | L183-L187 HydrophobicContact CD1-CD1 3.98Å; L183-L187 HydrophobicContact CD1-CD2 4.39Å; L183-L187 HydrophobicContact CD1-CG 3.98Å; L183-L187 HydrophobicContact CD2-CD1 4.4Å; L183-L187 HydrophobicContact CG-CD1 3.75Å; L183-L187 HydrophobicContact CG-CG 4.23Å; L183-L187 WeakPolarHBondContact O-CG 3.34Å; L183-L187 PolarHBondContact O-N 2.69Å; K184-L187 PolarHBondContact O-N 2.91Å; L187-L189 VanDerWaalsContact C-N 3.35Å; L187-L189 PolarHBondContact O-N 2.78Å; L187-I190 PolarHBondContact O-N 2.56Å; L187-G191 PolarHBondContact O-N 3.43Å; L187-L219 HydrophobicContact CD2-CD2 3.64Å; L187-L219 HydrophobicContact CD2-CG 4.37Å; L187-E222 HydrophobicContact CD2-CB 3.83Å; L187-E222 HydrophobicContact CD2-CG 3.89Å; L187-F223 HydrophobicContact CD2-CE2 4.08Å; L187-F223 HydrophobicContact CD2-CZ 4.26Å; L187-F223 WeakPolarHBondContact O-CZ 3.3Å |
| 188 | E | 97.2 | Very high | 95.4 | Very high | 105 Ų | 105 | 53.7 Ų | 53.7 | 49% | 0.491 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.8 | -43.3 | 177.2 | -74.2 | 177.5 | -173.4 | 0 | 0 | 112.2 | K184 N192 | K184-E188 WeakPolarHBondContact CE-OE1 3.34Å; K184-E188 HydrophobicContact CG-CG 4.42Å; K184-E188 IonicContact NZ-OE1 3.78Å; K184-E188 WeakPolarHBondContact O-CB 3.4Å; K184-E188 WeakPolarHBondContact O-CG 3.46Å; K184-E188 PolarHBondContact O-N 2.9Å; E188-N192 VanDerWaalsContact O-CB 3.32Å; E188-N192 WeakPolarHBondContact O-CB 3.21Å; E188-N192 PolarHBondContact O-N 2.7Å; E188-N192 PolarHBondContact O-ND2 2.81Å |
| 189 | L | 97.3 | Very high | 95.6 | Very high | 31 Ų | 31 | 56 Ų | 56 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 177.1 | 175.7 | 61.1 | 0 | 0 | 0 | 112.4 | G185 I186 L187 W193 I285 I287 I304 Y312 | G185-L189 WeakPolarHBondContact O-CB 3.47Å; G185-L189 PolarHBondContact O-N 3.09Å; I186-L189 PolarHBondContact O-N 2.98Å; L187-L189 VanDerWaalsContact C-N 3.35Å; L187-L189 PolarHBondContact O-N 2.78Å; L189-W193 PolarHBondContact O-N 3.03Å; L189-I285 HydrophobicContact CD1-CD1 4.42Å; L189-I285 HydrophobicContact CG-CD1 4.47Å; L189-I287 HydrophobicContact CD2-CD1 3.63Å; L189-I287 HydrophobicContact CD2-CG1 3.93Å; L189-I287 HydrophobicContact CG-CD1 4.08Å; L189-I304 HydrophobicContact CD2-CD1 4.22Å; L189-I304 HydrophobicContact CD2-CG2 3.87Å; L189-Y312 HydrophobicContact CD1-CD1 4.33Å; L189-Y312 HydrophobicContact CD1-CE1 4.18Å; L189-Y312 HydrophobicContact CD1-CE2 4.42Å; L189-Y312 HydrophobicContact CD2-CD1 4.21Å; L189-Y312 HydrophobicContact CD2-CD2 4.28Å; L189-Y312 HydrophobicContact CD2-CG 3.92Å |
| 190 | I | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -74.1 | -48.6 | -175.5 | -70.5 | -179.5 | 0 | 0 | 0 | 110.9 | I186 L187 N192 W193 I194 V202 L204 L219 F223 I253 I287 | I186-I190 HydrophobicContact CG2-CD1 3.61Å; I186-I190 HydrophobicContact CG2-CG1 4.25Å; I186-I190 WeakPolarHBondContact O-CB 3.01Å; I186-I190 VanDerWaalsContact O-CG1 3.3Å; I186-I190 WeakPolarHBondContact O-CG1 3.48Å; I186-I190 PolarHBondContact O-N 3.32Å; L187-I190 PolarHBondContact O-N 2.56Å; I190-N192 VanDerWaalsContact C-N 3.35Å; I190-N192 PolarHBondContact O-N 3.24Å; I190-W193 WeakPolarHBondContact O-CA 3.2Å; I190-W193 WeakPolarHBondContact O-CB 3.32Å; I190-W193 PolarHBondContact O-N 3.12Å; I190-I194 HydrophobicContact CG2-CD1 4.05Å; I190-I194 HydrophobicContact CG2-CG1 4.5Å; I190-I194 HydrophobicContact CG2-CG2 4.17Å; I190-I194 WeakPolarHBondContact O-CG1 3.27Å; I190-I194 PolarHBondContact O-N 3.32Å; I190-V202 HydrophobicContact CD1-CG1 3.97Å; I190-V202 HydrophobicContact CG1-CG1 4.03Å; I190-V202 HydrophobicContact CG1-CG2 4.16Å; I190-V202 HydrophobicContact CG2-CG2 4.16Å; I190-L204 HydrophobicContact CD1-CD2 3.99Å; I190-L219 HydrophobicContact CB-CD2 4.42Å; I190-L219 HydrophobicContact CD1-CD1 3.98Å; I190-L219 HydrophobicContact CD1-CD2 3.65Å; I190-L219 HydrophobicContact CG2-CD2 4.35Å; I190-F223 HydrophobicContact CB-CE2 4.01Å; I190-F223 HydrophobicContact CB-CZ 4.4Å; I190-F223 HydrophobicContact CG2-CD2 4.1Å; I190-F223 HydrophobicContact CG2-CE2 3.5Å; I190-F223 VanDerWaalsContact CG2-CE2 3.5Å; I190-F223 HydrophobicContact CG2-CZ 4.18Å; I190-I253 HydrophobicContact CG2-CD1 3.84Å; I190-I253 HydrophobicContact CG2-CG1 4.32Å; I190-I287 HydrophobicContact CD1-CD1 3.92Å; I190-I287 HydrophobicContact CG1-CD1 3.59Å |
| 191 | G | 97.9 | Very high | 96 | Very high | 23 Ų | 23 | 48.2 Ų | 48.2 | 24% | 0.237 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.1 | -45.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L187 W193 G195 | L187-G191 PolarHBondContact O-N 3.43Å; G191-W193 PolarHBondContact O-N 3.08Å; G191-G195 PolarHBondContact O-N 3.03Å; G191-G195 VanDerWaalsContact O-N 3.07Å |
| 192 | N | 97.6 | Very high | 96.2 | Very high | 121 Ų | 121 | 44.4 Ų | 44.4 | 65% | 0.647 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.5 | -16.1 | 174.7 | -79.2 | -62.5 | 0 | 0 | 0 | 113.9 | E188 I190 Q196 | E188-N192 VanDerWaalsContact O-CB 3.32Å; E188-N192 WeakPolarHBondContact O-CB 3.21Å; E188-N192 PolarHBondContact O-N 2.7Å; E188-N192 PolarHBondContact O-ND2 2.81Å; I190-N192 VanDerWaalsContact C-N 3.35Å; I190-N192 PolarHBondContact O-N 3.24Å; N192-Q196 PolarHBondContact O-NE2 3.12Å |
| 193 | W | 97.7 | Very high | 96.4 | Very high | 49 Ų | 49 | 45.6 Ų | 45.6 | 19% | 0.186 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -93.2 | -59 | 173.9 | -169 | -108.2 | 0 | 0 | 0 | 112 | L189 I190 G191 G195 Q196 H200 V201 V202 R283 I285 | L189-W193 PolarHBondContact O-N 3.03Å; I190-W193 WeakPolarHBondContact O-CA 3.2Å; I190-W193 WeakPolarHBondContact O-CB 3.32Å; I190-W193 PolarHBondContact O-N 3.12Å; G191-W193 PolarHBondContact O-N 3.08Å; W193-G195 VanDerWaalsContact C-N 3.26Å; W193-G195 PolarHBondContact O-N 3.43Å; W193-Q196 WeakPolarHBondContact O-CB 3.1Å; W193-Q196 PolarHBondContact O-N 3.33Å; W193-Q196 VanDerWaalsContact O-N 3.16Å; W193-H200 HydrophobicContact CD2-CB 4.46Å; W193-H200 AromaticContact CE2-CD2 3.81Å; W193-H200 HydrophobicContact CG-CB 4.33Å; W193-H200 AromaticContact CZ2-CD2 3.77Å; W193-H200 WeakPolarHBondContact O-CB 3.35Å; W193-V201 PolarHBondContact NE1-O 3.24Å; W193-V201 VanDerWaalsContact NE1-O 3.1Å; W193-V202 HydrophobicContact CB-CG2 4.47Å; W193-V202 HydrophobicContact CG-CG2 4.45Å; W193-R283 HydrophobicContact CZ2-CB 3.92Å; W193-R283 WeakPolarHBondContact CZ2-O 3.32Å; W193-R283 PolarHBondContact NE1-O 2.98Å; W193-I285 HydrophobicContact CB-CD1 3.88Å; W193-I285 HydrophobicContact CD2-CD1 3.99Å; W193-I285 HydrophobicContact CD2-CG1 4.17Å; W193-I285 HydrophobicContact CD2-CG2 3.9Å; W193-I285 HydrophobicContact CE3-CG2 4.21Å; W193-I285 HydrophobicContact CG-CD1 3.63Å; W193-I285 HydrophobicContact CG-CG1 3.92Å; W193-I285 HydrophobicContact CH2-CG2 3.91Å; W193-I285 HydrophobicContact CZ2-CG2 3.55Å; W193-I285 HydrophobicContact CZ3-CG2 4.22Å |
| 194 | I | 97.3 | Very high | 96.4 | Very high | 19 Ų | 19 | 45 Ų | 45 | 10% | 0.097 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.3 | -30.3 | -173.5 | 68.9 | 179.7 | 0 | 0 | 0 | 112.4 | I190 Q196 V202 F223 Q252 I253 | I190-I194 HydrophobicContact CG2-CD1 4.05Å; I190-I194 HydrophobicContact CG2-CG1 4.5Å; I190-I194 HydrophobicContact CG2-CG2 4.17Å; I190-I194 WeakPolarHBondContact O-CG1 3.27Å; I190-I194 PolarHBondContact O-N 3.32Å; I194-Q196 PolarHBondContact O-N 2.55Å; I194-V202 HydrophobicContact CG2-CG2 3.82Å; I194-F223 HydrophobicContact CD1-CB 4.24Å; I194-F223 HydrophobicContact CD1-CD1 4.21Å; I194-F223 HydrophobicContact CD1-CD2 3.97Å; I194-F223 HydrophobicContact CD1-CE2 4.4Å; I194-F223 HydrophobicContact CD1-CG 3.87Å; I194-Q252 HydrophobicContact CB-CB 4.29Å; I194-Q252 HydrophobicContact CG2-CB 4.01Å; I194-Q252 PolarHBondContact O-NE2 3.4Å; I194-I253 HydrophobicContact CD1-CD1 4.29Å |
| 195 | G | 97 | Very high | 96.3 | Very high | 67 Ų | 67 | 41 Ų | 41 | 69% | 0.691 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -9.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G191 W193 | G191-G195 PolarHBondContact O-N 3.03Å; G191-G195 VanDerWaalsContact O-N 3.07Å; W193-G195 VanDerWaalsContact C-N 3.26Å; W193-G195 PolarHBondContact O-N 3.43Å |
| 196 | Q | 97.1 | Very high | 96 | Very high | 111 Ų | 111 | 40.9 Ų | 40.9 | 52% | 0.519 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -36.5 | -179.8 | -68.4 | 179.2 | 47.7 | 0 | 0 | 113.1 | N192 W193 I194 H200 | N192-Q196 PolarHBondContact O-NE2 3.12Å; W193-Q196 WeakPolarHBondContact O-CB 3.1Å; W193-Q196 PolarHBondContact O-N 3.33Å; W193-Q196 VanDerWaalsContact O-N 3.16Å; I194-Q196 PolarHBondContact O-N 2.55Å; Q196-H200 VanDerWaalsContact CB-CE1 3.46Å; Q196-H200 WeakPolarHBondContact CB-CE1 3.48Å; Q196-H200 PolarHBondContact OE1-NE2 3.35Å |
| 197 | S | 95.5 | Very high | 95.3 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 25% | 0.245 | 23% | 0.231 | C | C | . | . | trans | -175.7 | 163.5 | 166.3 | 75.6 | 0 | 0 | 0 | 0 | 110.1 | Y199 H200 Q252 | S197-Y199 PolarHBondContact O-N 2.89Å; S197-Y199 PolarHBondContact OG-N 3.05Å; S197-H200 PolarHBondContact N-ND1 3.34Å; S197-H200 VanDerWaalsContact N-ND1 3.17Å; S197-H200 WeakPolarHBondContact O-CB 3.25Å; S197-H200 PolarHBondContact O-N 2.85Å; S197-H200 PolarHBondContact O-ND1 3.22Å; S197-H200 PolarHBondContact OG-CE1 2.68Å; S197-H200 VanDerWaalsContact OG-CE1 3.31Å; S197-H200 PolarHBondContact OG-ND1 3.33Å; S197-Q252 PolarHBondContact O-NE2 2.82Å | ||
| 198 | P | 93.5 | Very high | 94.4 | Very high | 97 Ų | 97 | 40.2 Ų | 40.2 | 63% | 0.63 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -18.6 | 176.4 | -27.8 | 36.6 | 0 | 0 | 0 | 115.5 | ||
| 199 | Y | 94.4 | Very high | 93.4 | Very high | 92 Ų | 92 | 36.3 Ų | 36.3 | 36% | 0.361 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -6.1 | 177 | -51.2 | -78.1 | 0 | 0 | 0 | 113.5 | S197 A276 D278 R283 | S197-Y199 PolarHBondContact O-N 2.89Å; S197-Y199 PolarHBondContact OG-N 3.05Å; Y199-A276 HydrophobicContact CD1-CB 3.82Å; Y199-A276 HydrophobicContact CE1-CB 3.86Å; Y199-D278 PolarHBondContact OH-OD2 2.83Å; Y199-R283 PolarHBondContact O-N 2.76Å |
| 200 | H | 95.9 | Very high | 93 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 2% | 0.023 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 119 | 174 | -64.7 | 81.3 | 0 | 0 | 0 | 109.5 | W193 Q196 S197 Q252 R283 | W193-H200 HydrophobicContact CD2-CB 4.46Å; W193-H200 AromaticContact CE2-CD2 3.81Å; W193-H200 HydrophobicContact CG-CB 4.33Å; W193-H200 AromaticContact CZ2-CD2 3.77Å; W193-H200 WeakPolarHBondContact O-CB 3.35Å; Q196-H200 VanDerWaalsContact CB-CE1 3.46Å; Q196-H200 WeakPolarHBondContact CB-CE1 3.48Å; Q196-H200 PolarHBondContact OE1-NE2 3.35Å; S197-H200 PolarHBondContact N-ND1 3.34Å; S197-H200 VanDerWaalsContact N-ND1 3.17Å; S197-H200 WeakPolarHBondContact O-CB 3.25Å; S197-H200 PolarHBondContact O-N 2.85Å; S197-H200 PolarHBondContact O-ND1 3.22Å; S197-H200 PolarHBondContact OG-CE1 2.68Å; S197-H200 VanDerWaalsContact OG-CE1 3.31Å; S197-H200 PolarHBondContact OG-ND1 3.33Å; H200-Q252 PolarHBondContact O-NE2 2.87Å; H200-R283 PolarHBondContact CE1-NH1 2.94Å; H200-R283 VanDerWaalsContact CE1-NH1 3.3Å; H200-R283 WeakPolarHBondContact NE2-CD 3.22Å; H200-R283 PolarHBondContact NE2-NH1 3.08Å |
| 201 | V | 96.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146.5 | -167.5 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | W193 Q252 H254 L270 L282 R283 I284 I285 | W193-V201 PolarHBondContact NE1-O 3.24Å; W193-V201 VanDerWaalsContact NE1-O 3.1Å; V201-Q252 CarbonylContact C-O 3.53Å; V201-Q252 WeakPolarHBondContact CA-O 3.43Å; V201-Q252 WeakPolarHBondContact CG1-O 3.28Å; V201-H254 WeakPolarHBondContact CG1-CD2 3.47Å; V201-H254 VanDerWaalsContact CG1-NE2 3.29Å; V201-H254 WeakPolarHBondContact CG1-NE2 3.4Å; V201-L270 HydrophobicContact CG1-CD1 4.1Å; V201-L270 HydrophobicContact CG1-CD2 4.19Å; V201-L282 HydrophobicContact CG2-CB 4.44Å; V201-L282 HydrophobicContact CG2-CD1 4.32Å; V201-L282 HydrophobicContact CG2-CD2 3.97Å; V201-L282 HydrophobicContact CG2-CG 4.48Å; V201-R283 PolarHBondContact N-O 2.8Å; V201-I284 HydrophobicContact CB-CG1 4.33Å; V201-I284 VanDerWaalsContact O-CA 3.31Å; V201-I284 WeakPolarHBondContact O-CA 3.42Å; V201-I285 PolarHBondContact O-N 3.02Å |
| 202 | V | 97.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 133.4 | 179.9 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | I190 W193 I194 L204 Q252 H254 I285 I287 | I190-V202 HydrophobicContact CD1-CG1 3.97Å; I190-V202 HydrophobicContact CG1-CG1 4.03Å; I190-V202 HydrophobicContact CG1-CG2 4.16Å; I190-V202 HydrophobicContact CG2-CG2 4.16Å; W193-V202 HydrophobicContact CB-CG2 4.47Å; W193-V202 HydrophobicContact CG-CG2 4.45Å; I194-V202 HydrophobicContact CG2-CG2 3.82Å; V202-L204 HydrophobicContact CG1-CD2 4.24Å; V202-Q252 PolarHBondContact N-O 3.12Å; V202-H254 PolarHBondContact O-N 3.32Å; V202-I285 HydrophobicContact CG2-CD1 4.19Å; V202-I285 HydrophobicContact CG2-CG1 3.98Å; V202-I287 HydrophobicContact CG1-CD1 3.62Å; V202-I287 HydrophobicContact CG1-CG1 4.18Å |
| 203 | W | 96 | Very high | 92.1 | Very high | 25 Ų | 25 | 30.1 Ų | 30.1 | 10% | 0.095 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 114.5 | 165.9 | 177.8 | 36.6 | 0 | 0 | 0 | 110.7 | N205 H254 C256 F265 L270 P271 I284 I285 S286 I287 | W203-N205 HydrophobicContact CD2-CB 4.41Å; W203-N205 HydrophobicContact CH2-CB 4.26Å; W203-N205 WeakPolarHBondContact CH2-ND2 3.36Å; W203-N205 HydrophobicContact CZ2-CB 3.98Å; W203-N205 PolarHBondContact O-N 2.89Å; W203-H254 CarbonylContact C-O 3.6Å; W203-H254 WeakPolarHBondContact CA-O 3.5Å; W203-C256 PolarHBondContact NE1-O 3.14Å; W203-F265 HydrophobicContact CH2-CD1 4.43Å; W203-F265 HydrophobicContact CH2-CD2 4.3Å; W203-F265 HydrophobicContact CH2-CE1 4.32Å; W203-F265 HydrophobicContact CH2-CE2 4.18Å; W203-F265 HydrophobicContact CH2-CG 4.43Å; W203-F265 HydrophobicContact CH2-CZ 4.21Å; W203-F265 HydrophobicContact CZ3-CD1 4.26Å; W203-F265 HydrophobicContact CZ3-CE1 4.38Å; W203-F265 HydrophobicContact CZ3-CG 4.49Å; W203-L270 HydrophobicContact CB-CD2 3.93Å; W203-L270 HydrophobicContact CG-CD2 4.49Å; W203-P271 HydrophobicContact CD2-CG 4.17Å; W203-P271 VanDerWaalsContact CE2-CG 3.44Å; W203-P271 HydrophobicContact CH2-CG 4.23Å; W203-P271 HydrophobicContact CZ2-CG 3.5Å; W203-P271 VanDerWaalsContact CZ2-CG 3.5Å; W203-I284 HydrophobicContact CB-CG2 4.4Å; W203-I285 PolarHBondContact N-O 2.81Å; W203-S286 WeakPolarHBondContact O-CA 3.44Å; W203-I287 PolarHBondContact O-N 2.74Å |
| 204 | L | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 105.1 | 167.9 | -59.5 | 176.6 | 0 | 0 | 0 | 108.7 | I190 V202 C206 F216 L219 I253 H254 A255 I287 | I190-L204 HydrophobicContact CD1-CD2 3.99Å; V202-L204 HydrophobicContact CG1-CD2 4.24Å; L204-C206 VanDerWaalsContact C-N 3.33Å; L204-C206 PolarHBondContact O-N 3.09Å; L204-C206 VanDerWaalsContact O-N 3.11Å; L204-F216 HydrophobicContact CD1-CD1 4.03Å; L204-F216 HydrophobicContact CD1-CE1 3.88Å; L204-L219 HydrophobicContact CD1-CD1 3.7Å; L204-I253 HydrophobicContact CD1-CG2 4.07Å; L204-I253 HydrophobicContact CG-CG2 4.37Å; L204-H254 PolarHBondContact N-O 3.37Å; L204-A255 HydrophobicContact CB-CB 4.12Å; L204-A255 HydrophobicContact CD1-CB 4.35Å; L204-I287 HydrophobicContact CD2-CB 4.29Å; L204-I287 HydrophobicContact CD2-CD1 4.49Å |
| 205 | N | 91.9 | Very high | 91.7 | Very high | 41 Ų | 41 | 31 Ų | 31 | 22% | 0.219 | 18% | 0.175 | C | C | . | . | trans | -84.9 | 78.4 | 177 | -173 | -16.1 | 0 | 0 | 0 | 109.3 | W203 I287 K288 P289 | W203-N205 HydrophobicContact CD2-CB 4.41Å; W203-N205 HydrophobicContact CH2-CB 4.26Å; W203-N205 WeakPolarHBondContact CH2-ND2 3.36Å; W203-N205 HydrophobicContact CZ2-CB 3.98Å; W203-N205 PolarHBondContact O-N 2.89Å; N205-I287 PolarHBondContact N-O 2.72Å; N205-K288 HydrophobicContact CB-CB 4.37Å; N205-P289 WeakPolarHBondContact O-CD 3.32Å | ||
| 206 | C | 89.6 | Confident | 91.7 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 5% | 0.047 | 14% | 0.144 | C | C | . | . | trans | -87.7 | 128.3 | -178.7 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | L204 Y212 R257 | L204-C206 VanDerWaalsContact C-N 3.33Å; L204-C206 PolarHBondContact O-N 3.09Å; L204-C206 VanDerWaalsContact O-N 3.11Å; C206-Y212 HydrophobicContact CB-CD1 3.89Å; C206-Y212 HydrophobicContact CB-CD2 3.64Å; C206-Y212 HydrophobicContact CB-CE1 3.86Å; C206-Y212 HydrophobicContact CB-CE2 3.6Å; C206-Y212 HydrophobicContact CB-CG 3.76Å; C206-Y212 WeakPolarHBondContact SG-CD1 3.46Å; C206-R257 PolarHBondContact O-NH1 2.81Å; C206-R257 PolarHBondContact O-NH2 3.27Å | ||
| 207 | K | 81.8 | Confident | 91.7 | Very high | 10 Ų | 10 | 24.3 Ų | 24.3 | 4% | 0.043 | 13% | 0.127 | C | C | . | . | trans | -95 | -57.9 | -173.3 | -85.8 | -79.5 | 164.1 | 177.8 | 0 | 114.2 | Y212 R257 D261 E262 T448 E449 | K207-Y212 PolarHBondContact N-OH 3.09Å; K207-Y212 VanDerWaalsContact N-OH 3.15Å; K207-R257 PolarHBondContact O-NH1 3.14Å; K207-D261 IonicContact NZ-OD1 2.68Å; K207-D261 PolarHBondContact NZ-OD1 3.32Å; K207-D261 IonicContact NZ-OD2 3.51Å; K207-D261 PolarHBondContact NZ-OD2 3.12Å; K207-E262 WeakPolarHBondContact CE-OE1 3.4Å; K207-E262 IonicContact NZ-OE1 2.74Å; K207-E262 PolarHBondContact NZ-OE1 2.95Å; K207-T448 WeakPolarHBondContact CB-OG1 3.29Å; K207-E449 CarbonylContact C-O 3.58Å | ||
| 208 | A | 78.6 | Confident | 91.8 | Very high | 2 Ų | 2 | 25 Ų | 25 | 2% | 0.017 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -61.3 | 143.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y210 Y212 R257 E449 | A208-Y210 VanDerWaalsContact C-N 3.28Å; A208-Y210 PolarHBondContact O-N 3.36Å; A208-Y212 HydrophobicContact CB-CE2 4.12Å; A208-Y212 VanDerWaalsContact O-CE2 3.31Å; A208-Y212 WeakPolarHBondContact O-CE2 3.44Å; A208-R257 PolarHBondContact O-NH1 3.08Å; A208-R257 PolarHBondContact O-NH2 2.91Å; A208-E449 WeakPolarHBondContact CA-O 3.45Å; A208-E449 HydrophobicContact CB-CB 4.39Å; A208-E449 PolarHBondContact N-O 3.24Å; A208-E449 VanDerWaalsContact N-O 3.09Å |
| 209 | A | 76.1 | Confident | 92 | Very high | 24 Ų | 24 | 20.4 Ų | 20.4 | 20% | 0.198 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -66.5 | -32.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N451 | A209-N451 HydrophobicContact CB-CB 3.58Å; A209-N451 WeakPolarHBondContact CB-ND2 3.45Å; A209-N451 PolarHBondContact N-ND2 3.32Å |
| 210 | Y | 87.9 | Confident | 92.1 | Very high | 29 Ų | 29 | 16.1 Ų | 16.1 | 11% | 0.114 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -120.4 | 167 | -176.9 | -55.1 | -68.3 | 0 | 0 | 0 | 110.8 | C34 L68 A208 M234 | C34-Y210 HydrophobicContact CB-CD2 4.03Å; C34-Y210 HydrophobicContact CB-CE2 3.66Å; C34-Y210 VanDerWaalsContact O-CD2 3.27Å; C34-Y210 WeakPolarHBondContact O-CD2 2.72Å; C34-Y210 WeakPolarHBondContact O-CE2 3.11Å; L68-Y210 HydrophobicContact CB-CE1 4.47Å; L68-Y210 HydrophobicContact CD1-CD1 3.89Å; L68-Y210 HydrophobicContact CD1-CE1 3.78Å; L68-Y210 HydrophobicContact CD1-CG 4.33Å; L68-Y210 HydrophobicContact CD2-CD1 4.2Å; L68-Y210 HydrophobicContact CD2-CE1 3.42Å; L68-Y210 VanDerWaalsContact CD2-CE1 3.42Å; L68-Y210 HydrophobicContact CG-CE1 4.08Å; A208-Y210 VanDerWaalsContact C-N 3.28Å; A208-Y210 PolarHBondContact O-N 3.36Å; Y210-M234 HydrophobicContact CD1-CE 4.02Å; Y210-M234 HydrophobicContact CE1-CE 3.32Å |
| 211 | G | 88.3 | Confident | 92.2 | Very high | 7 Ų | 7 | 21.2 Ų | 21.2 | 7% | 0.072 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 103.7 | -24.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E213 | G211-E213 VanDerWaalsContact C-N 3.31Å; G211-E213 VanDerWaalsContact C-OE2 3.29Å; G211-E213 VanDerWaalsContact CA-OE2 3.3Å; G211-E213 WeakPolarHBondContact CA-OE2 3.37Å; G211-E213 PolarHBondContact N-OE2 3.05Å; G211-E213 PolarHBondContact O-N 3.2Å |
| 212 | Y | 93.1 | Very high | 92.2 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | trans | -83.2 | -4.8 | -178.5 | -62.4 | -88.3 | 0 | 0 | 0 | 113.4 | C206 K207 A208 Y214 L215 F216 P289 F316 F318 | C206-Y212 HydrophobicContact CB-CD1 3.89Å; C206-Y212 HydrophobicContact CB-CD2 3.64Å; C206-Y212 HydrophobicContact CB-CE1 3.86Å; C206-Y212 HydrophobicContact CB-CE2 3.6Å; C206-Y212 HydrophobicContact CB-CG 3.76Å; C206-Y212 WeakPolarHBondContact SG-CD1 3.46Å; K207-Y212 PolarHBondContact N-OH 3.09Å; K207-Y212 VanDerWaalsContact N-OH 3.15Å; A208-Y212 HydrophobicContact CB-CE2 4.12Å; A208-Y212 VanDerWaalsContact O-CE2 3.31Å; A208-Y212 WeakPolarHBondContact O-CE2 3.44Å; Y212-Y214 VanDerWaalsContact C-N 3.32Å; Y212-Y214 PolarHBondContact O-N 3.23Å; Y212-L215 WeakPolarHBondContact O-CA 3.21Å; Y212-L215 WeakPolarHBondContact O-CB 2.82Å; Y212-L215 PolarHBondContact O-N 2.96Å; Y212-F216 VanDerWaalsContact CB-CZ 3.47Å; Y212-F216 WeakPolarHBondContact O-CD1 3.42Å; Y212-F216 WeakPolarHBondContact O-CG 3.41Å; Y212-F216 PolarHBondContact O-N 3.42Å; Y212-P289 HydrophobicContact CD1-CG 4.31Å; Y212-P289 HydrophobicContact CE1-CB 3.99Å; Y212-P289 HydrophobicContact CE1-CG 3.84Å; Y212-P289 PolarHBondContact OH-O 2.77Å; Y212-F316 HydrophobicContact CD1-CE1 4.48Å; Y212-F318 HydrophobicContact CD1-CZ 4.01Å; Y212-F318 AromaticContact CD2-CZ 3.98Å; Y212-F318 HydrophobicContact CD2-CZ 3.98Å; Y212-F318 HydrophobicContact CE1-CE2 4.31Å; Y212-F318 AromaticContact CE1-CZ 3.71Å; Y212-F318 HydrophobicContact CE1-CZ 3.71Å; Y212-F318 HydrophobicContact CE2-CE2 4.18Å; Y212-F318 AromaticContact CE2-CZ 3.68Å; Y212-F318 HydrophobicContact CE2-CZ 3.68Å; Y212-F318 HydrophobicContact CG-CZ 4.16Å; Y212-F318 AromaticContact CZ-CE2 3.89Å; Y212-F318 AromaticContact CZ-CZ 3.57Å | ||
| 213 | E | 93.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | -177.7 | -63.7 | 76 | -168 | 0 | 0 | 112.1 | P117 G211 L215 F216 T217 F235 I241 | P117-E213 WeakPolarHBondContact CD-OE2 3.41Å; P117-E213 HydrophobicContact CG-CB 4.03Å; P117-E213 HydrophobicContact CG-CG 3.96Å; P117-E213 VanDerWaalsContact CG-OE2 3.26Å; P117-E213 WeakPolarHBondContact CG-OE2 3.22Å; G211-E213 VanDerWaalsContact C-N 3.31Å; G211-E213 VanDerWaalsContact C-OE2 3.29Å; G211-E213 VanDerWaalsContact CA-OE2 3.3Å; G211-E213 WeakPolarHBondContact CA-OE2 3.37Å; G211-E213 PolarHBondContact N-OE2 3.05Å; G211-E213 PolarHBondContact O-N 3.2Å; E213-L215 PolarHBondContact O-N 2.71Å; E213-F216 PolarHBondContact O-N 3.47Å; E213-T217 WeakPolarHBondContact O-CG2 3.46Å; E213-T217 PolarHBondContact O-N 2.7Å; E213-T217 PolarHBondContact O-OG1 2.95Å; E213-F235 HydrophobicContact CG-CE1 3.59Å; E213-F235 HydrophobicContact CG-CZ 3.94Å; E213-I241 HydrophobicContact CB-CD1 3.97Å; E213-I241 HydrophobicContact CB-CG1 4.3Å; E213-I241 HydrophobicContact CB-CG2 4.03Å; E213-I241 HydrophobicContact CG-CD1 4.13Å; E213-I241 HydrophobicContact CG-CG2 3.94Å |
| 214 | Y | 93 | Very high | 92.3 | Very high | 88 Ų | 88 | 32.2 Ų | 32.2 | 35% | 0.345 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.7 | -35.8 | 172.2 | 171.2 | -97.1 | 0 | 0 | 0 | 112.4 | R179 L183 Y212 T217 N218 F316 | R179-Y214 HydrophobicContact CB-CE1 4.42Å; L183-Y214 HydrophobicContact CD2-CE1 4.06Å; Y212-Y214 VanDerWaalsContact C-N 3.32Å; Y212-Y214 PolarHBondContact O-N 3.23Å; Y214-T217 PolarHBondContact O-OG1 3.42Å; Y214-N218 WeakPolarHBondContact CE2-ND2 3.43Å; Y214-N218 PolarHBondContact O-N 2.91Å; Y214-N218 PolarHBondContact O-ND2 3.27Å; Y214-F316 HydrophobicContact CD1-CZ 4.41Å |
| 215 | L | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.2 | -38 | 173.9 | 178.3 | 60.9 | 0 | 0 | 0 | 110.8 | L183 I186 Y212 E213 L219 P289 F316 | L183-L215 HydrophobicContact CD1-CD1 3.63Å; I186-L215 HydrophobicContact CB-CD1 4.33Å; I186-L215 HydrophobicContact CD1-CD1 4.06Å; I186-L215 HydrophobicContact CD1-CD2 4.12Å; I186-L215 HydrophobicContact CG2-CD1 3.92Å; Y212-L215 WeakPolarHBondContact O-CA 3.21Å; Y212-L215 WeakPolarHBondContact O-CB 2.82Å; Y212-L215 PolarHBondContact O-N 2.96Å; E213-L215 PolarHBondContact O-N 2.71Å; L215-L219 HydrophobicContact CD1-CD1 3.85Å; L215-L219 HydrophobicContact CD1-CG 4.02Å; L215-L219 HydrophobicContact CG-CD1 3.77Å; L215-L219 HydrophobicContact CG-CG 4.38Å; L215-L219 VanDerWaalsContact O-CB 3.28Å; L215-L219 WeakPolarHBondContact O-CB 3.22Å; L215-L219 WeakPolarHBondContact O-CD1 3.36Å; L215-L219 WeakPolarHBondContact O-CG 3.16Å; L215-L219 PolarHBondContact O-N 3.29Å; L215-P289 HydrophobicContact CD2-CG 4.41Å; L215-F316 HydrophobicContact CB-CE2 4.15Å; L215-F316 HydrophobicContact CB-CZ 4.09Å |
| 216 | F | 96.4 | Very high | 92.6 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 4% | 0.039 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.6 | -43.1 | 178.7 | -52.7 | -25.7 | 0 | 0 | 0 | 112.6 | L204 Y212 E213 L219 G220 I227 V245 A255 | L204-F216 HydrophobicContact CD1-CD1 4.03Å; L204-F216 HydrophobicContact CD1-CE1 3.88Å; Y212-F216 VanDerWaalsContact CB-CZ 3.47Å; Y212-F216 WeakPolarHBondContact O-CD1 3.42Å; Y212-F216 WeakPolarHBondContact O-CG 3.41Å; Y212-F216 PolarHBondContact O-N 3.42Å; E213-F216 PolarHBondContact O-N 3.47Å; F216-L219 PolarHBondContact O-N 2.95Å; F216-G220 PolarHBondContact O-N 2.65Å; F216-I227 HydrophobicContact CB-CB 4.38Å; F216-I227 HydrophobicContact CB-CD1 4.44Å; F216-I227 HydrophobicContact CB-CG1 4.21Å; F216-I227 HydrophobicContact CD1-CG1 4.46Å; F216-I227 HydrophobicContact CD1-CG2 3.99Å; F216-I227 HydrophobicContact CE1-CG2 4.38Å; F216-I227 HydrophobicContact CG-CG2 4.24Å; F216-I227 VanDerWaalsContact O-CD1 3.22Å; F216-I227 WeakPolarHBondContact O-CD1 3.36Å; F216-V245 HydrophobicContact CB-CG1 4.36Å; F216-V245 HydrophobicContact CD2-CG1 4.17Å; F216-A255 HydrophobicContact CD1-CB 4.24Å; F216-A255 HydrophobicContact CE1-CB 3.37Å; F216-A255 HydrophobicContact CE2-CB 4.25Å; F216-A255 HydrophobicContact CZ-CB 3.38Å |
| 217 | T | 96.8 | Very high | 93 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 17% | 0.166 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -48.6 | 179.1 | 56.6 | 0 | 0 | 0 | 0 | 111.4 | E213 Y214 L219 G220 D221 E240 I241 Y244 | E213-T217 WeakPolarHBondContact O-CG2 3.46Å; E213-T217 PolarHBondContact O-N 2.7Å; E213-T217 PolarHBondContact O-OG1 2.95Å; Y214-T217 PolarHBondContact O-OG1 3.42Å; T217-L219 PolarHBondContact O-N 2.8Å; T217-G220 PolarHBondContact O-N 2.8Å; T217-D221 WeakPolarHBondContact O-CB 3.19Å; T217-D221 PolarHBondContact O-N 3Å; T217-E240 WeakPolarHBondContact CG2-O 3.45Å; T217-I241 HydrophobicContact CG2-CG1 4.39Å; T217-Y244 HydrophobicContact CG2-CD2 3.77Å; T217-Y244 HydrophobicContact CG2-CE2 4.41Å; T217-Y244 HydrophobicContact CG2-CG 4.47Å |
| 218 | N | 97.3 | Very high | 93.7 | Very high | 51 Ų | 51 | 35.7 Ų | 35.7 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.1 | -35.6 | 178.3 | -74.7 | -98.7 | 0 | 0 | 0 | 112.7 | L183 Y214 E222 | L183-N218 HydrophobicContact CD1-CB 3.75Å; L183-N218 HydrophobicContact CD2-CB 3.73Å; L183-N218 WeakPolarHBondContact CD2-OD1 3.41Å; L183-N218 HydrophobicContact CG-CB 4.35Å; Y214-N218 WeakPolarHBondContact CE2-ND2 3.43Å; Y214-N218 PolarHBondContact O-N 2.91Å; Y214-N218 PolarHBondContact O-ND2 3.27Å; N218-E222 WeakPolarHBondContact O-CB 3.29Å; N218-E222 PolarHBondContact O-N 3.19Å; N218-E222 VanDerWaalsContact O-N 3.13Å |
| 219 | L | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.4 | -35.8 | 173.2 | -76.2 | 171.3 | 0 | 0 | 0 | 112.9 | L187 I190 L204 L215 F216 T217 F223 I227 | L187-L219 HydrophobicContact CD2-CD2 3.64Å; L187-L219 HydrophobicContact CD2-CG 4.37Å; I190-L219 HydrophobicContact CB-CD2 4.42Å; I190-L219 HydrophobicContact CD1-CD1 3.98Å; I190-L219 HydrophobicContact CD1-CD2 3.65Å; I190-L219 HydrophobicContact CG2-CD2 4.35Å; L204-L219 HydrophobicContact CD1-CD1 3.7Å; L215-L219 HydrophobicContact CD1-CD1 3.85Å; L215-L219 HydrophobicContact CD1-CG 4.02Å; L215-L219 HydrophobicContact CG-CD1 3.77Å; L215-L219 HydrophobicContact CG-CG 4.38Å; L215-L219 VanDerWaalsContact O-CB 3.28Å; L215-L219 WeakPolarHBondContact O-CB 3.22Å; L215-L219 WeakPolarHBondContact O-CD1 3.36Å; L215-L219 WeakPolarHBondContact O-CG 3.16Å; L215-L219 PolarHBondContact O-N 3.29Å; F216-L219 PolarHBondContact O-N 2.95Å; T217-L219 PolarHBondContact O-N 2.8Å; L219-F223 HydrophobicContact CD2-CD2 4.16Å; L219-F223 HydrophobicContact CD2-CE2 3.67Å; L219-F223 WeakPolarHBondContact O-CB 3.49Å; L219-F223 VanDerWaalsContact O-CD2 3.31Å; L219-F223 WeakPolarHBondContact O-CD2 3.38Å; L219-F223 PolarHBondContact O-N 2.89Å; L219-I227 HydrophobicContact CB-CD1 4.04Å; L219-I227 HydrophobicContact CB-CG1 4.48Å |
| 220 | G | 97.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -73.4 | -34.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F216 T217 G224 T225 | F216-G220 PolarHBondContact O-N 2.65Å; T217-G220 PolarHBondContact O-N 2.8Å; G220-G224 CarbonylContact O-C 3.58Å; G220-G224 VanDerWaalsContact O-CA 3.27Å; G220-G224 WeakPolarHBondContact O-CA 3.21Å; G220-G224 PolarHBondContact O-N 3.03Å; G220-T225 WeakPolarHBondContact CA-O 3.46Å; G220-T225 PolarHBondContact O-N 3.09Å |
| 221 | D | 97.3 | Very high | 95.3 | Very high | 111 Ų | 111 | 40.4 Ų | 40.4 | 59% | 0.594 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -70.3 | -57.5 | 176.4 | -156.9 | 57.1 | 0 | 0 | 0 | 111.7 | T217 F223 G224 Y244 | T217-D221 WeakPolarHBondContact O-CB 3.19Å; T217-D221 PolarHBondContact O-N 3Å; D221-F223 VanDerWaalsContact C-N 3.28Å; D221-F223 PolarHBondContact O-N 3.2Å; D221-G224 PolarHBondContact O-N 3.39Å; D221-Y244 HydrophobicContact CB-CE1 3.94Å; D221-Y244 PolarHBondContact OD1-OH 3.04Å |
| 222 | E | 97.7 | Very high | 95.4 | Very high | 129 Ų | 129 | 42.3 Ų | 42.3 | 60% | 0.603 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -55.1 | -39.9 | -179.6 | 179.1 | 77.4 | -170.1 | 0 | 0 | 112.7 | L187 N218 | L187-E222 HydrophobicContact CD2-CB 3.83Å; L187-E222 HydrophobicContact CD2-CG 3.89Å; N218-E222 WeakPolarHBondContact O-CB 3.29Å; N218-E222 PolarHBondContact O-N 3.19Å; N218-E222 VanDerWaalsContact O-N 3.13Å |
| 223 | F | 97.2 | Very high | 95.2 | Very high | 55 Ų | 55 | 43.4 Ų | 43.4 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 5.7 | -176 | -56 | -48.6 | 0 | 0 | 0 | 114.3 | L187 I190 I194 L219 D221 T225 I253 | L187-F223 HydrophobicContact CD2-CE2 4.08Å; L187-F223 HydrophobicContact CD2-CZ 4.26Å; L187-F223 WeakPolarHBondContact O-CZ 3.3Å; I190-F223 HydrophobicContact CB-CE2 4.01Å; I190-F223 HydrophobicContact CB-CZ 4.4Å; I190-F223 HydrophobicContact CG2-CD2 4.1Å; I190-F223 HydrophobicContact CG2-CE2 3.5Å; I190-F223 VanDerWaalsContact CG2-CE2 3.5Å; I190-F223 HydrophobicContact CG2-CZ 4.18Å; I194-F223 HydrophobicContact CD1-CB 4.24Å; I194-F223 HydrophobicContact CD1-CD1 4.21Å; I194-F223 HydrophobicContact CD1-CD2 3.97Å; I194-F223 HydrophobicContact CD1-CE2 4.4Å; I194-F223 HydrophobicContact CD1-CG 3.87Å; L219-F223 HydrophobicContact CD2-CD2 4.16Å; L219-F223 HydrophobicContact CD2-CE2 3.67Å; L219-F223 WeakPolarHBondContact O-CB 3.49Å; L219-F223 VanDerWaalsContact O-CD2 3.31Å; L219-F223 WeakPolarHBondContact O-CD2 3.38Å; L219-F223 PolarHBondContact O-N 2.89Å; D221-F223 VanDerWaalsContact C-N 3.28Å; D221-F223 PolarHBondContact O-N 3.2Å; F223-T225 VanDerWaalsContact C-N 3.28Å; F223-T225 HydrophobicContact CB-CG2 3.92Å; F223-T225 PolarHBondContact O-N 3.23Å; F223-I253 HydrophobicContact CD2-CD1 3.93Å |
| 224 | G | 96.8 | Very high | 94.8 | Very high | 76 Ų | 76 | 45.2 Ų | 45.2 | 78% | 0.784 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 41.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G220 D221 | G220-G224 CarbonylContact O-C 3.58Å; G220-G224 VanDerWaalsContact O-CA 3.27Å; G220-G224 WeakPolarHBondContact O-CA 3.21Å; G220-G224 PolarHBondContact O-N 3.03Å; D221-G224 PolarHBondContact O-N 3.39Å |
| 225 | T | 95.9 | Very high | 94.6 | Very high | 43 Ų | 43 | 41.3 Ų | 41.3 | 26% | 0.264 | 24% | 0.239 | S | C | . | . | trans | -138 | 172.4 | -166.3 | -156.8 | 0 | 0 | 0 | 0 | 113.3 | G220 F223 I253 | G220-T225 WeakPolarHBondContact CA-O 3.46Å; G220-T225 PolarHBondContact O-N 3.09Å; F223-T225 VanDerWaalsContact C-N 3.28Å; F223-T225 HydrophobicContact CB-CG2 3.92Å; F223-T225 PolarHBondContact O-N 3.23Å; T225-I253 HydrophobicContact CG2-CD1 3.93Å | ||
| 226 | Q | 97.6 | Very high | 94.4 | Very high | 82 Ų | 82 | 48.6 Ų | 48.6 | 38% | 0.383 | 27% | 0.271 | S | S | . | . | trans | -117.8 | 139 | 175.2 | -62.6 | -170.1 | -50.1 | 0 | 0 | 111.2 | S243 Y244 T246 T251 | Q226-S243 PolarHBondContact NE2-O 3.33Å; Q226-Y244 CarbonylContact C-O 3.5Å; Q226-Y244 WeakPolarHBondContact CA-O 3.37Å; Q226-T246 HydrophobicContact CB-CG2 3.67Å; Q226-T251 WeakPolarHBondContact O-CB 3.29Å; Q226-T251 WeakPolarHBondContact O-CG2 3.37Å; Q226-T251 PolarHBondContact O-OG1 2.9Å | ||
| 227 | I | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 124.8 | -179 | -68.7 | 67.3 | 0 | 0 | 0 | 108.9 | F216 L219 V229 Y244 V245 T246 I253 A255 | F216-I227 HydrophobicContact CB-CB 4.38Å; F216-I227 HydrophobicContact CB-CD1 4.44Å; F216-I227 HydrophobicContact CB-CG1 4.21Å; F216-I227 HydrophobicContact CD1-CG1 4.46Å; F216-I227 HydrophobicContact CD1-CG2 3.99Å; F216-I227 HydrophobicContact CE1-CG2 4.38Å; F216-I227 HydrophobicContact CG-CG2 4.24Å; F216-I227 VanDerWaalsContact O-CD1 3.22Å; F216-I227 WeakPolarHBondContact O-CD1 3.36Å; L219-I227 HydrophobicContact CB-CD1 4.04Å; L219-I227 HydrophobicContact CB-CG1 4.48Å; I227-V229 PolarHBondContact O-N 3.16Å; I227-Y244 PolarHBondContact N-O 3.37Å; I227-V245 WeakPolarHBondContact O-CA 3.35Å; I227-T246 PolarHBondContact O-N 3.28Å; I227-I253 WeakPolarHBondContact CA-O 3.34Å; I227-I253 HydrophobicContact CG1-CB 4.33Å; I227-I253 HydrophobicContact CG1-CG2 3.92Å; I227-I253 HydrophobicContact CG2-CG2 4.4Å; I227-A255 HydrophobicContact CG2-CB 3.66Å |
| 228 | H | 96.9 | Very high | 93.7 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.028 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 120.6 | -179.7 | 165.1 | -86.4 | 0 | 0 | 0 | 112.3 | T246 D248 R249 T251 I253 H254 A255 C256 C272 | H228-T246 CarbonylContact C-O 3.47Å; H228-T246 VanDerWaalsContact CA-O 3.29Å; H228-T246 WeakPolarHBondContact CA-O 3.4Å; H228-T246 HydrophobicContact CB-CG2 4.4Å; H228-D248 WeakPolarHBondContact CB-O 3.47Å; H228-D248 PolarHBondContact CD2-O 3.09Å; H228-R249 WeakPolarHBondContact NE2-CG 3.25Å; H228-T251 HydrophobicContact CB-CG2 3.44Å; H228-T251 VanDerWaalsContact CB-CG2 3.44Å; H228-I253 PolarHBondContact N-O 2.71Å; H228-H254 HydrophobicContact CB-CB 4.22Å; H228-H254 VanDerWaalsContact CB-ND1 3.31Å; H228-H254 WeakPolarHBondContact CB-ND1 3.22Å; H228-H254 AromaticContact CG-ND1 3.4Å; H228-H254 AromaticContact ND1-CG 3.99Å; H228-H254 AromaticContact ND1-ND1 3.34Å; H228-H254 PolarHBondContact ND1-ND1 3.03Å; H228-A255 CarbonylContact O-C 3.56Å; H228-A255 PolarHBondContact O-N 3.08Å; H228-C256 WeakPolarHBondContact CE1-CB 3.4Å; H228-C256 WeakPolarHBondContact ND1-CB 3.09Å; H228-C256 PolarHBondContact ND1-SG 3.13Å; H228-C256 PolarHBondContact O-N 2.97Å; H228-C272 VanDerWaalsContact CE1-CB 3.49Å; H228-C272 WeakPolarHBondContact CE1-CB 3.45Å |
| 229 | V | 94.8 | Very high | 93.5 | Very high | 11 Ų | 11 | 55.4 Ų | 55.4 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | trans | -122.4 | 162.4 | 178.2 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | I227 S231 L232 V245 T246 A255 | I227-V229 PolarHBondContact O-N 3.16Å; V229-S231 VanDerWaalsContact C-N 3.32Å; V229-S231 WeakPolarHBondContact CG2-O 2.91Å; V229-S231 PolarHBondContact O-N 2.85Å; V229-L232 HydrophobicContact CG2-CD2 3.72Å; V229-V245 HydrophobicContact CG1-CB 4.45Å; V229-V245 HydrophobicContact CG1-CG1 4.12Å; V229-V245 HydrophobicContact CG2-CB 4.03Å; V229-T246 PolarHBondContact N-O 3.26Å; V229-A255 HydrophobicContact CG1-CB 4.37Å | ||
| 230 | N | 90.3 | Very high | 93.2 | Very high | 89 Ų | 89 | 60.6 Ų | 60.6 | 48% | 0.476 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -68.2 | -28.8 | -177 | -68.8 | 45.7 | 0 | 0 | 0 | 113.5 | C256 R257 | N230-C256 WeakPolarHBondContact OD1-CA 3.45Å; N230-C256 WeakPolarHBondContact OD1-CB 3.42Å; N230-R257 PolarHBondContact ND2-O 2.92Å; N230-R257 PolarHBondContact OD1-N 3.3Å |
| 231 | S | 90.4 | Very high | 93.1 | Very high | 54 Ų | 54 | 61.2 Ų | 61.2 | 38% | 0.378 | 33% | 0.331 | S | S | . | . | trans | -155.2 | 142.8 | -176.1 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | V229 A233 | V229-S231 VanDerWaalsContact C-N 3.32Å; V229-S231 WeakPolarHBondContact CG2-O 2.91Å; V229-S231 PolarHBondContact O-N 2.85Å; S231-A233 VanDerWaalsContact OG-CB 3.32Å; S231-A233 WeakPolarHBondContact OG-CB 3.45Å; S231-A233 PolarHBondContact OG-N 3.42Å; S231-A233 VanDerWaalsContact OG-N 3.12Å | ||
| 232 | L | 91.1 | Very high | 93 | Very high | 48 Ų | 48 | 58.4 Ų | 58.4 | 25% | 0.251 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -93.6 | -1.4 | 170.8 | -54.9 | -178.2 | 0 | 0 | 0 | 112.7 | V229 M234 F235 K236 L242 V245 T247 | V229-L232 HydrophobicContact CG2-CD2 3.72Å; L232-M234 VanDerWaalsContact C-N 3.33Å; L232-M234 PolarHBondContact O-N 3.11Å; L232-F235 PolarHBondContact O-N 2.9Å; L232-F235 VanDerWaalsContact O-N 3.11Å; L232-K236 PolarHBondContact O-N 3.4Å; L232-L242 HydrophobicContact CB-CD1 4.04Å; L232-L242 HydrophobicContact CD1-CD1 4.39Å; L232-L242 HydrophobicContact CD2-CD1 4.46Å; L232-V245 HydrophobicContact CD2-CB 4.13Å; L232-V245 HydrophobicContact CD2-CG2 3.82Å; L232-T247 HydrophobicContact CD2-CG2 4.46Å; L232-T247 HydrophobicContact CG-CG2 3.99Å |
| 233 | A | 88.6 | Confident | 92.9 | Very high | 26 Ų | 26 | 55 Ų | 55 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -57.9 | -43.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N71 S231 F235 K236 | N71-A233 PolarHBondContact ND2-O 3.25Å; N71-A233 WeakPolarHBondContact OD1-CB 3.39Å; N71-A233 PolarHBondContact OD1-O 3.07Å; S231-A233 VanDerWaalsContact OG-CB 3.32Å; S231-A233 WeakPolarHBondContact OG-CB 3.45Å; S231-A233 PolarHBondContact OG-N 3.42Å; S231-A233 VanDerWaalsContact OG-N 3.12Å; A233-F235 VanDerWaalsContact C-N 3.3Å; A233-F235 PolarHBondContact O-N 2.78Å; A233-K236 WeakPolarHBondContact O-CB 3.43Å; A233-K236 WeakPolarHBondContact O-CG 3.42Å; A233-K236 PolarHBondContact O-N 2.92Å |
| 234 | M | 85.8 | Confident | 92.9 | Very high | 43 Ų | 43 | 55.3 Ų | 55.3 | 21% | 0.212 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -65.2 | -28.9 | 179.5 | 62.9 | -136.4 | -72.3 | 0 | 0 | 113.6 | L68 N71 Y210 L232 M238 | L68-M234 HydrophobicContact CD2-CB 4.09Å; N71-M234 WeakPolarHBondContact OD1-CA 3.34Å; N71-M234 PolarHBondContact OD1-N 3.29Å; N71-M234 VanDerWaalsContact OD1-N 3.1Å; Y210-M234 HydrophobicContact CD1-CE 4.02Å; Y210-M234 HydrophobicContact CE1-CE 3.32Å; L232-M234 VanDerWaalsContact C-N 3.33Å; L232-M234 PolarHBondContact O-N 3.11Å; M234-M238 WeakPolarHBondContact O-CE 3.18Å |
| 235 | F | 88.8 | Confident | 92.9 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -93.8 | 0.3 | -175.8 | -52.9 | -58.7 | 0 | 0 | 0 | 113.7 | E213 L232 A233 K237 M238 I241 L242 V245 | E213-F235 HydrophobicContact CG-CE1 3.59Å; E213-F235 HydrophobicContact CG-CZ 3.94Å; L232-F235 PolarHBondContact O-N 2.9Å; L232-F235 VanDerWaalsContact O-N 3.11Å; A233-F235 VanDerWaalsContact C-N 3.3Å; A233-F235 PolarHBondContact O-N 2.78Å; F235-K237 PolarHBondContact O-N 3.44Å; F235-M238 HydrophobicContact CD1-CE 4.14Å; F235-M238 CarbonylContact O-C 3.6Å; F235-M238 PolarHBondContact O-N 3.07Å; F235-I241 HydrophobicContact CD1-CB 4.23Å; F235-I241 HydrophobicContact CD1-CG2 3.54Å; F235-I241 HydrophobicContact CE1-CG2 3.83Å; F235-I241 HydrophobicContact CG-CG2 3.97Å; F235-I241 HydrophobicContact CZ-CG2 4.46Å; F235-L242 HydrophobicContact CB-CB 4.22Å; F235-L242 HydrophobicContact CB-CD1 4.03Å; F235-V245 HydrophobicContact CB-CG2 4.5Å; F235-V245 HydrophobicContact CD2-CG2 3.82Å; F235-V245 HydrophobicContact CE2-CG2 4.42Å; F235-V245 HydrophobicContact CG-CG2 4.33Å |
| 236 | K | 89.4 | Confident | 92.9 | Very high | 153 Ų | 153 | 50.6 Ų | 50.6 | 67% | 0.665 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -24.5 | -175.5 | -79.3 | 177.1 | 175.4 | 174.7 | 0 | 116.3 | L232 A233 | L232-K236 PolarHBondContact O-N 3.4Å; A233-K236 WeakPolarHBondContact O-CB 3.43Å; A233-K236 WeakPolarHBondContact O-CG 3.42Å; A233-K236 PolarHBondContact O-N 2.92Å |
| 237 | K | 88.9 | Confident | 92.9 | Very high | 135 Ų | 135 | 50.2 Ų | 50.2 | 59% | 0.587 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113 | 8.5 | 178.1 | -68.7 | 178.6 | 179.8 | 171.9 | 0 | 113.5 | E67 F235 P239 | E67-K237 HydrophobicContact CG-CD 4.06Å; E67-K237 WeakPolarHBondContact OE1-CD 3.49Å; E67-K237 IonicContact OE1-NZ 2.66Å; E67-K237 PolarHBondContact OE1-NZ 2.85Å; E67-K237 VanDerWaalsContact OE2-CD 3.23Å; E67-K237 WeakPolarHBondContact OE2-CD 3.31Å; E67-K237 WeakPolarHBondContact OE2-CE 3.48Å; E67-K237 IonicContact OE2-NZ 3.25Å; E67-K237 PolarHBondContact OE2-NZ 3.41Å; F235-K237 PolarHBondContact O-N 3.44Å; K237-P239 VanDerWaalsContact C-CD 3.49Å; K237-P239 WeakPolarHBondContact O-CD 3.45Å |
| 238 | M | 91.3 | Very high | 92.7 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | trans | -119.4 | 72.4 | 178.6 | -78.4 | 178.2 | -74.8 | 0 | 0 | 108.6 | V64 L68 M234 F235 E240 I241 L242 | V64-M238 HydrophobicContact CG1-CE 4.44Å; V64-M238 HydrophobicContact CG1-SD 3.64Å; V64-M238 HydrophobicContact CG2-SD 4.37Å; L68-M238 HydrophobicContact CD2-CE 3.6Å; L68-M238 HydrophobicContact CG-CE 4.14Å; M234-M238 WeakPolarHBondContact O-CE 3.18Å; F235-M238 HydrophobicContact CD1-CE 4.14Å; F235-M238 CarbonylContact O-C 3.6Å; F235-M238 PolarHBondContact O-N 3.07Å; M238-E240 VanDerWaalsContact CA-OE1 3.22Å; M238-E240 WeakPolarHBondContact CA-OE1 3.15Å; M238-E240 WeakPolarHBondContact CB-OE1 3.36Å; M238-E240 PolarHBondContact O-N 3.41Å; M238-I241 HydrophobicContact CB-CB 4.35Å; M238-I241 HydrophobicContact CB-CD1 4.18Å; M238-I241 HydrophobicContact CB-CG1 4.5Å; M238-I241 PolarHBondContact O-N 3.19Å; M238-I241 HydrophobicContact SD-CD1 3.88Å; M238-L242 WeakPolarHBondContact O-CB 3.27Å; M238-L242 PolarHBondContact O-N 3.06Å | ||
| 239 | P | 92.4 | Very high | 92.6 | Very high | 85 Ų | 85 | 60.2 Ų | 60.2 | 55% | 0.552 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -57.4 | -34.4 | -172.3 | 23.2 | -34.1 | 0 | 0 | 0 | 113.4 | K237 I241 L242 S243 | K237-P239 VanDerWaalsContact C-CD 3.49Å; K237-P239 WeakPolarHBondContact O-CD 3.45Å; P239-I241 VanDerWaalsContact C-N 3.25Å; P239-I241 PolarHBondContact O-N 3.35Å; P239-L242 PolarHBondContact O-N 3.38Å; P239-S243 PolarHBondContact O-N 3.46Å; P239-S243 PolarHBondContact O-OG 3.21Å |
| 240 | E | 91.8 | Very high | 92.4 | Very high | 108 Ų | 108 | 64.5 Ų | 64.5 | 51% | 0.505 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.1 | -19.9 | 176.8 | 68.8 | -61.9 | 141.7 | 0 | 0 | 114.6 | T217 M238 Y244 | T217-E240 WeakPolarHBondContact CG2-O 3.45Å; M238-E240 VanDerWaalsContact CA-OE1 3.22Å; M238-E240 WeakPolarHBondContact CA-OE1 3.15Å; M238-E240 WeakPolarHBondContact CB-OE1 3.36Å; M238-E240 PolarHBondContact O-N 3.41Å; E240-Y244 WeakPolarHBondContact O-CD2 3.31Å |
| 241 | I | 94.1 | Very high | 92.6 | Very high | 16 Ų | 16 | 61.2 Ų | 61.2 | 8% | 0.082 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -96 | -44.5 | 169 | -60.7 | 169.1 | 0 | 0 | 0 | 109.6 | P117 E213 T217 F235 M238 P239 S243 Y244 | P117-I241 HydrophobicContact CG-CD1 4.34Å; E213-I241 HydrophobicContact CB-CD1 3.97Å; E213-I241 HydrophobicContact CB-CG1 4.3Å; E213-I241 HydrophobicContact CB-CG2 4.03Å; E213-I241 HydrophobicContact CG-CD1 4.13Å; E213-I241 HydrophobicContact CG-CG2 3.94Å; T217-I241 HydrophobicContact CG2-CG1 4.39Å; F235-I241 HydrophobicContact CD1-CB 4.23Å; F235-I241 HydrophobicContact CD1-CG2 3.54Å; F235-I241 HydrophobicContact CE1-CG2 3.83Å; F235-I241 HydrophobicContact CG-CG2 3.97Å; F235-I241 HydrophobicContact CZ-CG2 4.46Å; M238-I241 HydrophobicContact CB-CB 4.35Å; M238-I241 HydrophobicContact CB-CD1 4.18Å; M238-I241 HydrophobicContact CB-CG1 4.5Å; M238-I241 PolarHBondContact O-N 3.19Å; M238-I241 HydrophobicContact SD-CD1 3.88Å; P239-I241 VanDerWaalsContact C-N 3.25Å; P239-I241 PolarHBondContact O-N 3.35Å; I241-S243 VanDerWaalsContact C-N 3.25Å; I241-S243 PolarHBondContact O-N 2.93Å; I241-Y244 PolarHBondContact O-N 3.43Å |
| 242 | L | 95 | Very high | 92.9 | Very high | 52 Ų | 52 | 61.1 Ų | 61.1 | 27% | 0.272 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.9 | -32.4 | -175.5 | -174.7 | 63.5 | 0 | 0 | 0 | 113.5 | L232 F235 M238 P239 Y244 V245 | L232-L242 HydrophobicContact CB-CD1 4.04Å; L232-L242 HydrophobicContact CD1-CD1 4.39Å; L232-L242 HydrophobicContact CD2-CD1 4.46Å; F235-L242 HydrophobicContact CB-CB 4.22Å; F235-L242 HydrophobicContact CB-CD1 4.03Å; M238-L242 WeakPolarHBondContact O-CB 3.27Å; M238-L242 PolarHBondContact O-N 3.06Å; P239-L242 PolarHBondContact O-N 3.38Å; L242-Y244 PolarHBondContact O-N 2.94Å; L242-V245 HydrophobicContact CD1-CG2 4.48Å; L242-V245 PolarHBondContact O-N 3.2Å |
| 243 | S | 96.1 | Very high | 93.2 | Very high | 57 Ų | 57 | 58.9 Ų | 58.9 | 40% | 0.399 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -31.2 | 175.4 | 50.4 | 0 | 0 | 0 | 0 | 113.5 | Q226 P239 I241 | Q226-S243 PolarHBondContact NE2-O 3.33Å; P239-S243 PolarHBondContact O-N 3.46Å; P239-S243 PolarHBondContact O-OG 3.21Å; I241-S243 VanDerWaalsContact C-N 3.25Å; I241-S243 PolarHBondContact O-N 2.93Å |
| 244 | Y | 97.2 | Very high | 93.6 | Very high | 62 Ų | 62 | 57.7 Ų | 57.7 | 24% | 0.243 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 3.9 | -172.5 | -60.5 | -74.3 | 0 | 0 | 0 | 114.1 | T217 D221 Q226 I227 E240 I241 L242 | T217-Y244 HydrophobicContact CG2-CD2 3.77Å; T217-Y244 HydrophobicContact CG2-CE2 4.41Å; T217-Y244 HydrophobicContact CG2-CG 4.47Å; D221-Y244 HydrophobicContact CB-CE1 3.94Å; D221-Y244 PolarHBondContact OD1-OH 3.04Å; Q226-Y244 CarbonylContact C-O 3.5Å; Q226-Y244 WeakPolarHBondContact CA-O 3.37Å; I227-Y244 PolarHBondContact N-O 3.37Å; E240-Y244 WeakPolarHBondContact O-CD2 3.31Å; I241-Y244 PolarHBondContact O-N 3.43Å; L242-Y244 PolarHBondContact O-N 2.94Å |
| 245 | V | 96.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 146.8 | 178.6 | -70.3 | 0 | 0 | 0 | 0 | 112.5 | F216 I227 V229 L232 F235 L242 | F216-V245 HydrophobicContact CB-CG1 4.36Å; F216-V245 HydrophobicContact CD2-CG1 4.17Å; I227-V245 WeakPolarHBondContact O-CA 3.35Å; V229-V245 HydrophobicContact CG1-CB 4.45Å; V229-V245 HydrophobicContact CG1-CG1 4.12Å; V229-V245 HydrophobicContact CG2-CB 4.03Å; L232-V245 HydrophobicContact CD2-CB 4.13Å; L232-V245 HydrophobicContact CD2-CG2 3.82Å; F235-V245 HydrophobicContact CB-CG2 4.5Å; F235-V245 HydrophobicContact CD2-CG2 3.82Å; F235-V245 HydrophobicContact CE2-CG2 4.42Å; F235-V245 HydrophobicContact CG-CG2 4.33Å; L242-V245 HydrophobicContact CD1-CG2 4.48Å; L242-V245 PolarHBondContact O-N 3.2Å |
| 246 | T | 96.9 | Very high | 94.2 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 158.9 | -177.6 | -169.3 | 0 | 0 | 0 | 0 | 112.6 | Q226 I227 H228 V229 D248 T251 | Q226-T246 HydrophobicContact CB-CG2 3.67Å; I227-T246 PolarHBondContact O-N 3.28Å; H228-T246 CarbonylContact C-O 3.47Å; H228-T246 VanDerWaalsContact CA-O 3.29Å; H228-T246 WeakPolarHBondContact CA-O 3.4Å; H228-T246 HydrophobicContact CB-CG2 4.4Å; V229-T246 PolarHBondContact N-O 3.26Å; T246-D248 HydrophobicContact CG2-CB 4.33Å; T246-D248 PolarHBondContact OG1-N 3.34Å; T246-T251 HydrophobicContact CG2-CG2 4.25Å |
| 247 | T | 96.2 | Very high | 94 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 45% | 0.454 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -99.2 | 0.8 | 164.5 | 44.1 | 0 | 0 | 0 | 0 | 112.6 | L232 | L232-T247 HydrophobicContact CD2-CG2 4.46Å; L232-T247 HydrophobicContact CG-CG2 3.99Å |
| 248 | D | 94.6 | Very high | 93.2 | Very high | 81 Ų | 81 | 49.8 Ų | 49.8 | 43% | 0.433 | 26% | 0.255 | S | S | . | . | trans | -70.8 | 132.9 | 170.5 | -170.2 | -0 | 0 | 0 | 0 | 110.8 | H228 T246 T250 | H228-D248 WeakPolarHBondContact CB-O 3.47Å; H228-D248 PolarHBondContact CD2-O 3.09Å; T246-D248 HydrophobicContact CG2-CB 4.33Å; T246-D248 PolarHBondContact OG1-N 3.34Å; D248-T250 WeakPolarHBondContact OD1-CG2 3.4Å; D248-T250 PolarHBondContact OD1-N 2.86Å; D248-T250 PolarHBondContact OD1-OG1 2.82Å; D248-T250 PolarHBondContact OD2-OG1 3.21Å | ||
| 249 | R | 93.4 | Very high | 91.7 | Very high | 134 Ų | 134 | 54.8 Ų | 54.8 | 51% | 0.506 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -88.7 | -3.4 | -178.9 | -63.2 | 179.9 | -168.2 | -179.2 | 13.3 | 112.9 | H228 H254 C272 C274 | H228-R249 WeakPolarHBondContact NE2-CG 3.25Å; R249-H254 PolarHBondContact O-CE1 3.26Å; R249-C272 HydrophobicContact CG-CB 4.41Å; R249-C272 PolarHBondContact NH1-O 3Å; R249-C274 HydrophobicContact CB-CB 4.1Å; R249-C274 PolarHBondContact O-SG 3.4Å |
| 250 | T | 91.4 | Very high | 89.9 | Confident | 102 Ų | 102 | 60.3 Ų | 60.3 | 63% | 0.626 | 30% | 0.298 | S | S | * | . | trans | -77.3 | -15.5 | -178.2 | 64.1 | 0 | 0 | 0 | 0 | 115 | D248 | D248-T250 WeakPolarHBondContact OD1-CG2 3.4Å; D248-T250 PolarHBondContact OD1-N 2.86Å; D248-T250 PolarHBondContact OD1-OG1 2.82Å; D248-T250 PolarHBondContact OD2-OG1 3.21Å | ||
| 251 | T | 95 | Very high | 88 | Confident | 19 Ų | 19 | 59.4 Ų | 59.4 | 12% | 0.117 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -64.4 | 155.9 | 177.9 | 178.6 | 0 | 0 | 0 | 0 | 113.4 | Q226 H228 T246 I253 H254 | Q226-T251 WeakPolarHBondContact O-CB 3.29Å; Q226-T251 WeakPolarHBondContact O-CG2 3.37Å; Q226-T251 PolarHBondContact O-OG1 2.9Å; H228-T251 HydrophobicContact CB-CG2 3.44Å; H228-T251 VanDerWaalsContact CB-CG2 3.44Å; T246-T251 HydrophobicContact CG2-CG2 4.25Å; T251-I253 WeakPolarHBondContact CG2-O 3.35Å; T251-I253 PolarHBondContact OG1-N 3.49Å; T251-H254 PolarHBondContact O-CE1 3Å; T251-H254 VanDerWaalsContact O-CE1 3.29Å; T251-H254 PolarHBondContact O-NE2 2.69Å |
| 252 | Q | 96.6 | Very high | 85.8 | Confident | 53 Ų | 53 | 65.7 Ų | 65.7 | 25% | 0.248 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -83.6 | -6.6 | 175.9 | -65.9 | -177.6 | -103.3 | 0 | 0 | 114.1 | I194 S197 H200 V201 V202 | I194-Q252 HydrophobicContact CB-CB 4.29Å; I194-Q252 HydrophobicContact CG2-CB 4.01Å; I194-Q252 PolarHBondContact O-NE2 3.4Å; S197-Q252 PolarHBondContact O-NE2 2.82Å; H200-Q252 PolarHBondContact O-NE2 2.87Å; V201-Q252 CarbonylContact C-O 3.53Å; V201-Q252 WeakPolarHBondContact CA-O 3.43Å; V201-Q252 WeakPolarHBondContact CG1-O 3.28Å; V202-Q252 PolarHBondContact N-O 3.12Å |
| 253 | I | 97.8 | Very high | 83.3 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 120.4 | 179.8 | -50.1 | 178.2 | 0 | 0 | 0 | 110.3 | I190 I194 L204 F223 T225 I227 H228 T251 | I190-I253 HydrophobicContact CG2-CD1 3.84Å; I190-I253 HydrophobicContact CG2-CG1 4.32Å; I194-I253 HydrophobicContact CD1-CD1 4.29Å; L204-I253 HydrophobicContact CD1-CG2 4.07Å; L204-I253 HydrophobicContact CG-CG2 4.37Å; F223-I253 HydrophobicContact CD2-CD1 3.93Å; T225-I253 HydrophobicContact CG2-CD1 3.93Å; I227-I253 WeakPolarHBondContact CA-O 3.34Å; I227-I253 HydrophobicContact CG1-CB 4.33Å; I227-I253 HydrophobicContact CG1-CG2 3.92Å; I227-I253 HydrophobicContact CG2-CG2 4.4Å; H228-I253 PolarHBondContact N-O 2.71Å; T251-I253 WeakPolarHBondContact CG2-O 3.35Å; T251-I253 PolarHBondContact OG1-N 3.49Å |
| 254 | H | 96.5 | Very high | 80.8 | Confident | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 135.2 | 176.2 | -46 | -90.6 | 0 | 0 | 0 | 111.5 | V201 V202 W203 L204 H228 R249 T251 L270 | V201-H254 WeakPolarHBondContact CG1-CD2 3.47Å; V201-H254 VanDerWaalsContact CG1-NE2 3.29Å; V201-H254 WeakPolarHBondContact CG1-NE2 3.4Å; V202-H254 PolarHBondContact O-N 3.32Å; W203-H254 CarbonylContact C-O 3.6Å; W203-H254 WeakPolarHBondContact CA-O 3.5Å; L204-H254 PolarHBondContact N-O 3.37Å; H228-H254 HydrophobicContact CB-CB 4.22Å; H228-H254 VanDerWaalsContact CB-ND1 3.31Å; H228-H254 WeakPolarHBondContact CB-ND1 3.22Å; H228-H254 AromaticContact CG-ND1 3.4Å; H228-H254 AromaticContact ND1-CG 3.99Å; H228-H254 AromaticContact ND1-ND1 3.34Å; H228-H254 PolarHBondContact ND1-ND1 3.03Å; R249-H254 PolarHBondContact O-CE1 3.26Å; T251-H254 PolarHBondContact O-CE1 3Å; T251-H254 VanDerWaalsContact O-CE1 3.29Å; T251-H254 PolarHBondContact O-NE2 2.69Å; H254-L270 VanDerWaalsContact NE2-CD1 3.35Å; H254-L270 WeakPolarHBondContact NE2-CD1 3.41Å |
| 255 | A | 95.4 | Very high | 78.6 | Confident | 6 Ų | 6 | 76.4 Ų | 76.4 | 5% | 0.05 | 37% | 0.367 | C | S | . | . | trans | -112.9 | 27.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L204 F216 I227 H228 V229 | L204-A255 HydrophobicContact CB-CB 4.12Å; L204-A255 HydrophobicContact CD1-CB 4.35Å; F216-A255 HydrophobicContact CD1-CB 4.24Å; F216-A255 HydrophobicContact CE1-CB 3.37Å; F216-A255 HydrophobicContact CE2-CB 4.25Å; F216-A255 HydrophobicContact CZ-CB 3.38Å; I227-A255 HydrophobicContact CG2-CB 3.66Å; H228-A255 CarbonylContact O-C 3.56Å; H228-A255 PolarHBondContact O-N 3.08Å; V229-A255 HydrophobicContact CG1-CB 4.37Å | ||
| 256 | C | 92 | Very high | 76.2 | Confident | 2 Ų | 2 | 84.3 Ų | 84.3 | 1% | 0.014 | 40% | 0.404 | C | S | . | . | trans | -75.3 | 154.8 | -178.3 | 60.2 | 0 | 0 | 0 | 0 | 113 | W203 H228 N230 | W203-C256 PolarHBondContact NE1-O 3.14Å; H228-C256 WeakPolarHBondContact CE1-CB 3.4Å; H228-C256 WeakPolarHBondContact ND1-CB 3.09Å; H228-C256 PolarHBondContact ND1-SG 3.13Å; H228-C256 PolarHBondContact O-N 2.97Å; N230-C256 WeakPolarHBondContact OD1-CA 3.45Å; N230-C256 WeakPolarHBondContact OD1-CB 3.42Å | ||
| 257 | R | 85.2 | Confident | 74.2 | Confident | 80 Ų | 80 | 85.9 Ų | 85.9 | 30% | 0.302 | 42% | 0.424 | S | S | . | . | trans | -116 | 152.5 | -175.8 | -59.3 | 172.1 | -169.3 | -113.4 | -11.8 | 110.1 | C206 K207 A208 N230 | C206-R257 PolarHBondContact O-NH1 2.81Å; C206-R257 PolarHBondContact O-NH2 3.27Å; K207-R257 PolarHBondContact O-NH1 3.14Å; A208-R257 PolarHBondContact O-NH1 3.08Å; A208-R257 PolarHBondContact O-NH2 2.91Å; N230-R257 PolarHBondContact ND2-O 2.92Å; N230-R257 PolarHBondContact OD1-N 3.3Å | ||
| 258 | H | 72.6 | Confident | 72.7 | Confident | 82 Ų | 82 | 87.5 Ų | 87.5 | 38% | 0.38 | 43% | 0.43 | S | S | . | . | trans | -85.8 | 140.3 | 173.2 | -166.5 | -115.5 | 0 | 0 | 0 | 109.9 | R260 F265 P271 | H258-R260 PolarHBondContact ND1-O 2.84Å; H258-R260 PolarHBondContact O-N 3.16Å; H258-R260 VanDerWaalsContact O-N 3.08Å; H258-F265 HydrophobicContact CB-CE2 4.07Å; H258-F265 HydrophobicContact CB-CZ 4.2Å; H258-P271 HydrophobicContact CB-CB 4.17Å | ||
| 259 | P | 58.2 | Low | 72.1 | Confident | 115 Ų | 115 | 92.8 Ų | 92.8 | 75% | 0.747 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -71.1 | 3.8 | 179.9 | -19.5 | 33.5 | 0 | 0 | 0 | 115.6 | ||
| 260 | R | 55.7 | Low | 71.8 | Confident | 201 Ų | 201 | 86.7 Ų | 86.7 | 76% | 0.758 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -139.3 | 119.1 | 170.6 | -62.2 | -176.2 | -176 | -176.9 | -0.9 | 106.1 | H258 | H258-R260 PolarHBondContact ND1-O 2.84Å; H258-R260 PolarHBondContact O-N 3.16Å; H258-R260 VanDerWaalsContact O-N 3.08Å |
| 261 | D | 51.5 | Low | 71.7 | Confident | 89 Ų | 89 | 82.6 Ų | 82.6 | 48% | 0.476 | 40% | 0.396 | S | S | . | . | trans | -79.1 | 153 | -170.8 | -143.8 | -18.3 | 0 | 0 | 0 | 111.8 | K207 E263 | K207-D261 IonicContact NZ-OD1 2.68Å; K207-D261 PolarHBondContact NZ-OD1 3.32Å; K207-D261 IonicContact NZ-OD2 3.51Å; K207-D261 PolarHBondContact NZ-OD2 3.12Å; D261-E263 VanDerWaalsContact C-N 3.26Å; D261-E263 PolarHBondContact O-N 2.85Å | ||
| 262 | E | 48.4 | Very low | 71.4 | Confident | 149 Ų | 149 | 82.5 Ų | 82.5 | 70% | 0.696 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 59.2 | -31.7 | 169.2 | -45.4 | -138.2 | 136.9 | 0 | 0 | 120.1 | K207 | K207-E262 WeakPolarHBondContact CE-OE1 3.4Å; K207-E262 IonicContact NZ-OE1 2.74Å; K207-E262 PolarHBondContact NZ-OE1 2.95Å |
| 263 | E | 42.9 | Very low | 70.9 | Confident | 148 Ų | 148 | 82.8 Ų | 82.8 | 69% | 0.692 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -78.4 | 125.9 | 178.7 | -69.5 | -152 | 145.3 | 0 | 0 | 113.8 | D261 | D261-E263 VanDerWaalsContact C-N 3.26Å; D261-E263 PolarHBondContact O-N 2.85Å |
| 264 | F | 43.1 | Very low | 70.3 | Confident | 158 Ų | 158 | 84 Ų | 84 | 69% | 0.693 | 42% | 0.422 | S | S | * | . | trans | 66.1 | 62.4 | 170.4 | -60.4 | -81.9 | 0 | 0 | 0 | 119.5 | Q266 | F264-Q266 PolarHBondContact O-N 3.15Š| ||
| 265 | F | 50.2 | Low | 69.7 | Low | 89 Ų | 89 | 88 Ų | 88 | 39% | 0.39 | 45% | 0.45 | S | S | . | . | trans | -90.5 | 72.5 | 149.8 | -85.4 | -81.8 | 0 | 0 | 0 | 112.6 | W203 H258 G267 P271 | W203-F265 HydrophobicContact CH2-CD1 4.43Å; W203-F265 HydrophobicContact CH2-CD2 4.3Å; W203-F265 HydrophobicContact CH2-CE1 4.32Å; W203-F265 HydrophobicContact CH2-CE2 4.18Å; W203-F265 HydrophobicContact CH2-CG 4.43Å; W203-F265 HydrophobicContact CH2-CZ 4.21Å; W203-F265 HydrophobicContact CZ3-CD1 4.26Å; W203-F265 HydrophobicContact CZ3-CE1 4.38Å; W203-F265 HydrophobicContact CZ3-CG 4.49Å; H258-F265 HydrophobicContact CB-CE2 4.07Å; H258-F265 HydrophobicContact CB-CZ 4.2Å; F265-G267 PolarHBondContact O-N 3.2Å; F265-P271 HydrophobicContact CE1-CG 4.21Å; F265-P271 HydrophobicContact CZ-CB 4.09Å; F265-P271 HydrophobicContact CZ-CG 3.75Å | ||
| 266 | Q | 46.6 | Very low | 69.2 | Low | 168 Ų | 168 | 88.6 Ų | 88.6 | 79% | 0.785 | 46% | 0.455 | S | S | * | . | trans | -82.4 | 97.9 | 164.9 | -76 | -171.4 | -9.2 | 0 | 0 | 111 | F264 | F264-Q266 PolarHBondContact O-N 3.15Š| ||
| 267 | G | 54.3 | Low | 68.6 | Low | 52 Ų | 52 | 95.5 Ų | 95.5 | 54% | 0.536 | 50% | 0.497 | S | S | . | . | S | Bend | trans | 91.8 | -176.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | F265 R269 | F265-G267 PolarHBondContact O-N 3.2Å; G267-R269 PolarHBondContact O-N 3.42Å |
| 268 | N | 64.9 | Low | 68.6 | Low | 107 Ų | 107 | 95.9 Ų | 95.9 | 57% | 0.572 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -71.4 | 79.2 | -168.2 | -57.4 | -13 | 0 | 0 | 0 | 112.4 | ||
| 269 | R | 81.4 | Confident | 69 | Low | 193 Ų | 193 | 95.1 Ų | 95.1 | 73% | 0.728 | 52% | 0.519 | S | S | * | . | trans | -140.1 | 150.7 | 176 | -66.8 | -173 | 176.5 | -168.7 | -1.1 | 111.6 | G267 | G267-R269 PolarHBondContact O-N 3.42Š| ||
| 270 | L | 88.2 | Confident | 70.4 | Confident | 6 Ų | 6 | 91.6 Ų | 91.6 | 3% | 0.031 | 50% | 0.497 | C | S | . | . | trans | -90.4 | 147 | 176.3 | -64.8 | 161.6 | 0 | 0 | 0 | 110.6 | V201 W203 H254 C272 G273 C274 L282 I284 | V201-L270 HydrophobicContact CG1-CD1 4.1Å; V201-L270 HydrophobicContact CG1-CD2 4.19Å; W203-L270 HydrophobicContact CB-CD2 3.93Å; W203-L270 HydrophobicContact CG-CD2 4.49Å; H254-L270 VanDerWaalsContact NE2-CD1 3.35Å; H254-L270 WeakPolarHBondContact NE2-CD1 3.41Å; L270-C272 PolarHBondContact O-N 2.71Å; L270-C272 VanDerWaalsContact O-N 3.13Å; L270-G273 PolarHBondContact O-N 3.44Å; L270-C274 HydrophobicContact CD1-CB 3.77Å; L270-L282 HydrophobicContact CD1-CD1 3.91Å; L270-I284 HydrophobicContact CD1-CD1 4.36Å; L270-I284 HydrophobicContact CD2-CD1 4.35Å; L270-I284 HydrophobicContact CD2-CG1 4.24Å; L270-I284 HydrophobicContact CD2-CG2 4.09Å; L270-I284 HydrophobicContact CG-CD1 3.8Å; L270-I284 HydrophobicContact CG-CG1 4.14Å | ||
| 271 | P | 88.3 | Confident | 71.9 | Confident | 15 Ų | 15 | 87.4 Ų | 87.4 | 10% | 0.097 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -27.2 | 177.2 | -26.4 | 34.4 | 0 | 0 | 0 | 114.9 | W203 H258 F265 G273 | W203-P271 HydrophobicContact CD2-CG 4.17Å; W203-P271 VanDerWaalsContact CE2-CG 3.44Å; W203-P271 HydrophobicContact CH2-CG 4.23Å; W203-P271 HydrophobicContact CZ2-CG 3.5Å; W203-P271 VanDerWaalsContact CZ2-CG 3.5Å; H258-P271 HydrophobicContact CB-CB 4.17Å; F265-P271 HydrophobicContact CE1-CG 4.21Å; F265-P271 HydrophobicContact CZ-CB 4.09Å; F265-P271 HydrophobicContact CZ-CG 3.75Å; P271-G273 VanDerWaalsContact C-N 3.31Å |
| 272 | C | 88.7 | Confident | 73.8 | Confident | 17 Ų | 17 | 84.4 Ų | 84.4 | 12% | 0.115 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 4.9 | 175.8 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | H228 R249 L270 C274 | H228-C272 VanDerWaalsContact CE1-CB 3.49Å; H228-C272 WeakPolarHBondContact CE1-CB 3.45Å; R249-C272 HydrophobicContact CG-CB 4.41Å; R249-C272 PolarHBondContact NH1-O 3Å; L270-C272 PolarHBondContact O-N 2.71Å; L270-C272 VanDerWaalsContact O-N 3.13Å; C272-C274 PolarHBondContact O-N 2.8Å |
| 273 | G | 86.9 | Confident | 76 | Confident | 60 Ų | 60 | 84.1 Ų | 84.1 | 62% | 0.619 | 47% | 0.473 | S | S | * | . | trans | 65.5 | 16.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L270 P271 | L270-G273 PolarHBondContact O-N 3.44Å; P271-G273 VanDerWaalsContact C-N 3.31Å | ||
| 274 | C | 85.1 | Confident | 78.4 | Confident | 26 Ų | 26 | 77.7 Ų | 77.7 | 18% | 0.176 | 44% | 0.443 | C | S | . | . | trans | -62.3 | 150.7 | -179.4 | -170 | 0 | 0 | 0 | 0 | 112.4 | R249 L270 C272 | R249-C274 HydrophobicContact CB-CB 4.1Å; R249-C274 PolarHBondContact O-SG 3.4Å; L270-C274 HydrophobicContact CD1-CB 3.77Å; C272-C274 PolarHBondContact O-N 2.8Å | ||
| 275 | S | 84.7 | Confident | 80.9 | Confident | 85 Ų | 85 | 70.2 Ų | 70.2 | 59% | 0.594 | 41% | 0.41 | S | S | * | . | trans | -150.3 | 159.7 | 174.5 | -67.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 276 | A | 83.8 | Confident | 83 | Confident | 19 Ų | 19 | 67.2 Ų | 67.2 | 16% | 0.157 | 40% | 0.4 | C | S | . | . | trans | -66 | 150.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y199 D278 G279 S280 L282 | Y199-A276 HydrophobicContact CD1-CB 3.82Å; Y199-A276 HydrophobicContact CE1-CB 3.86Å; A276-D278 WeakPolarHBondContact CB-OD1 3.4Å; A276-D278 PolarHBondContact O-N 2.76Å; A276-G279 PolarHBondContact O-N 3.42Å; A276-S280 VanDerWaalsContact CB-O 3.25Å; A276-S280 WeakPolarHBondContact CB-O 3.39Å; A276-L282 HydrophobicContact CB-CD2 3.89Å | ||
| 277 | T | 80.5 | Confident | 85.3 | Confident | 146 Ų | 146 | 59.2 Ų | 59.2 | 90% | 0.896 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -20.4 | -174.4 | 48.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 278 | D | 84.6 | Confident | 87.1 | Confident | 89 Ų | 89 | 58.6 Ų | 58.6 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -4.1 | 173.1 | 70.4 | -31.2 | 0 | 0 | 0 | 113.2 | Y199 A276 S280 | Y199-D278 PolarHBondContact OH-OD2 2.83Å; A276-D278 WeakPolarHBondContact CB-OD1 3.4Å; A276-D278 PolarHBondContact O-N 2.76Å; D278-S280 VanDerWaalsContact OD1-CB 3.24Å; D278-S280 WeakPolarHBondContact OD1-CB 3.47Å; D278-S280 PolarHBondContact OD1-N 3.21Å; D278-S280 PolarHBondContact OD1-OG 2.9Å; D278-S280 VanDerWaalsContact OD2-CB 3.26Å; D278-S280 WeakPolarHBondContact OD2-CB 3.46Å; D278-S280 PolarHBondContact OD2-OG 2.72Å |
| 279 | G | 81.5 | Confident | 88.3 | Confident | 65 Ų | 65 | 53.5 Ų | 53.5 | 67% | 0.67 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 84.9 | 4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A276 | A276-G279 PolarHBondContact O-N 3.42Š|
| 280 | S | 86.4 | Confident | 88.4 | Confident | 41 Ų | 41 | 44.6 Ų | 44.6 | 29% | 0.287 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 144.7 | 176.9 | -77 | 0 | 0 | 0 | 0 | 112.6 | A276 D278 L282 | A276-S280 VanDerWaalsContact CB-O 3.25Å; A276-S280 WeakPolarHBondContact CB-O 3.39Å; D278-S280 VanDerWaalsContact OD1-CB 3.24Å; D278-S280 WeakPolarHBondContact OD1-CB 3.47Å; D278-S280 PolarHBondContact OD1-N 3.21Å; D278-S280 PolarHBondContact OD1-OG 2.9Å; D278-S280 VanDerWaalsContact OD2-CB 3.26Å; D278-S280 WeakPolarHBondContact OD2-CB 3.46Å; D278-S280 PolarHBondContact OD2-OG 2.72Å; S280-L282 PolarHBondContact O-N 2.71Å |
| 281 | P | 88.3 | Confident | 87.9 | Confident | 113 Ų | 113 | 44.7 Ų | 44.7 | 73% | 0.734 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 123 | 178.4 | 28.9 | -33.9 | 0 | 0 | 0 | 111.4 | ||
| 282 | L | 91.8 | Very high | 86.9 | Confident | 26 Ų | 26 | 44.7 Ų | 44.7 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 135.5 | 174.5 | -62.4 | 178.7 | 0 | 0 | 0 | 111.3 | V201 L270 A276 S280 I284 | V201-L282 HydrophobicContact CG2-CB 4.44Å; V201-L282 HydrophobicContact CG2-CD1 4.32Å; V201-L282 HydrophobicContact CG2-CD2 3.97Å; V201-L282 HydrophobicContact CG2-CG 4.48Å; L270-L282 HydrophobicContact CD1-CD1 3.91Å; A276-L282 HydrophobicContact CB-CD2 3.89Å; S280-L282 PolarHBondContact O-N 2.71Å; L282-I284 HydrophobicContact CB-CD1 4.1Å; L282-I284 HydrophobicContact CB-CG1 3.98Å; L282-I284 PolarHBondContact O-N 2.99Å |
| 283 | R | 93.8 | Very high | 86 | Confident | 143 Ų | 143 | 44.6 Ų | 44.6 | 54% | 0.54 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 87.7 | 174.4 | -66.2 | 177.5 | 175.2 | -164.3 | 0.5 | 108.6 | W193 Y199 H200 V201 | W193-R283 HydrophobicContact CZ2-CB 3.92Å; W193-R283 WeakPolarHBondContact CZ2-O 3.32Å; W193-R283 PolarHBondContact NE1-O 2.98Å; Y199-R283 PolarHBondContact O-N 2.76Å; H200-R283 PolarHBondContact CE1-NH1 2.94Å; H200-R283 VanDerWaalsContact CE1-NH1 3.3Å; H200-R283 WeakPolarHBondContact NE2-CD 3.22Å; H200-R283 PolarHBondContact NE2-NH1 3.08Å; V201-R283 PolarHBondContact N-O 2.8Å |
| 284 | I | 93.9 | Very high | 84.9 | Confident | 14 Ų | 14 | 42 Ų | 42 | 7% | 0.072 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 133.5 | -174.6 | -61.5 | 150.2 | 0 | 0 | 0 | 110.5 | V201 W203 L270 L282 S310 | V201-I284 HydrophobicContact CB-CG1 4.33Å; V201-I284 VanDerWaalsContact O-CA 3.31Å; V201-I284 WeakPolarHBondContact O-CA 3.42Å; W203-I284 HydrophobicContact CB-CG2 4.4Å; L270-I284 HydrophobicContact CD1-CD1 4.36Å; L270-I284 HydrophobicContact CD2-CD1 4.35Å; L270-I284 HydrophobicContact CD2-CG1 4.24Å; L270-I284 HydrophobicContact CD2-CG2 4.09Å; L270-I284 HydrophobicContact CG-CD1 3.8Å; L270-I284 HydrophobicContact CG-CG1 4.14Å; L282-I284 HydrophobicContact CB-CD1 4.1Å; L282-I284 HydrophobicContact CB-CG1 3.98Å; L282-I284 PolarHBondContact O-N 2.99Å; I284-S310 WeakPolarHBondContact O-CB 3.49Å |
| 285 | I | 95.1 | Very high | 83.9 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 147.5 | 156.2 | 61 | 172.7 | 0 | 0 | 0 | 110.6 | L189 W193 V201 V202 W203 I287 S310 Y312 | L189-I285 HydrophobicContact CD1-CD1 4.42Å; L189-I285 HydrophobicContact CG-CD1 4.47Å; W193-I285 HydrophobicContact CB-CD1 3.88Å; W193-I285 HydrophobicContact CD2-CD1 3.99Å; W193-I285 HydrophobicContact CD2-CG1 4.17Å; W193-I285 HydrophobicContact CD2-CG2 3.9Å; W193-I285 HydrophobicContact CE3-CG2 4.21Å; W193-I285 HydrophobicContact CG-CD1 3.63Å; W193-I285 HydrophobicContact CG-CG1 3.92Å; W193-I285 HydrophobicContact CH2-CG2 3.91Å; W193-I285 HydrophobicContact CZ2-CG2 3.55Å; W193-I285 HydrophobicContact CZ3-CG2 4.22Å; V201-I285 PolarHBondContact O-N 3.02Å; V202-I285 HydrophobicContact CG2-CD1 4.19Å; V202-I285 HydrophobicContact CG2-CG1 3.98Å; W203-I285 PolarHBondContact N-O 2.81Å; I285-I287 HydrophobicContact CD1-CD1 4.37Å; I285-I287 HydrophobicContact CD1-CG1 4.47Å; I285-S310 CarbonylContact C-O 2.97Å; I285-S310 WeakPolarHBondContact CA-O 3.44Å; I285-Y312 HydrophobicContact CB-CD2 4.26Å; I285-Y312 HydrophobicContact CB-CE2 4.01Å; I285-Y312 HydrophobicContact CD1-CD2 4.25Å; I285-Y312 HydrophobicContact CD1-CE2 4.02Å; I285-Y312 HydrophobicContact CG2-CE2 3.88Å |
| 286 | S | 93.9 | Very high | 83 | Confident | 25 Ų | 25 | 41.8 Ų | 41.8 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 134.7 | 171.7 | 51.3 | 0 | 0 | 0 | 0 | 110.1 | W203 S310 S311 Y312 | W203-S286 WeakPolarHBondContact O-CA 3.44Å; S286-S310 PolarHBondContact N-O 2.85Å; S286-S310 PolarHBondContact OG-O 2.99Å; S286-S311 WeakPolarHBondContact O-CA 3.32Å; S286-S311 WeakPolarHBondContact OG-CA 3.43Å; S286-S311 WeakPolarHBondContact OG-CB 3.33Å; S286-S311 PolarHBondContact OG-OG 3.36Å; S286-Y312 PolarHBondContact O-N 3.28Å |
| 287 | I | 94.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 117.1 | 174.7 | -55.4 | 174 | 0 | 0 | 0 | 107 | L189 I190 V202 W203 L204 N205 I285 P289 Y312 A314 | L189-I287 HydrophobicContact CD2-CD1 3.63Å; L189-I287 HydrophobicContact CD2-CG1 3.93Å; L189-I287 HydrophobicContact CG-CD1 4.08Å; I190-I287 HydrophobicContact CD1-CD1 3.92Å; I190-I287 HydrophobicContact CG1-CD1 3.59Å; V202-I287 HydrophobicContact CG1-CD1 3.62Å; V202-I287 HydrophobicContact CG1-CG1 4.18Å; W203-I287 PolarHBondContact O-N 2.74Å; L204-I287 HydrophobicContact CD2-CB 4.29Å; L204-I287 HydrophobicContact CD2-CD1 4.49Å; N205-I287 PolarHBondContact N-O 2.72Å; I285-I287 HydrophobicContact CD1-CD1 4.37Å; I285-I287 HydrophobicContact CD1-CG1 4.47Å; I287-P289 WeakPolarHBondContact O-CD 3.42Å; I287-Y312 WeakPolarHBondContact CA-O 3.27Å; I287-A314 HydrophobicContact CG2-CB 3.65Å |
| 288 | K | 92.6 | Very high | 81.2 | Confident | 39 Ų | 39 | 43.8 Ų | 43.8 | 17% | 0.17 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 112.1 | 172.8 | -170.8 | 178.1 | -170.1 | -174.7 | 0 | 110.2 | N205 Y312 R313 A314 D446 | N205-K288 HydrophobicContact CB-CB 4.37Å; K288-Y312 PolarHBondContact N-O 3.22Å; K288-R313 WeakPolarHBondContact O-CA 3.19Å; K288-A314 PolarHBondContact O-N 3.02Å; K288-A314 VanDerWaalsContact O-N 3.12Å; K288-D446 VanDerWaalsContact CE-OD2 3.32Å; K288-D446 WeakPolarHBondContact CE-OD2 3.31Å; K288-D446 IonicContact NZ-OD2 2.94Å; K288-D446 PolarHBondContact NZ-OD2 2.84Å |
| 289 | P | 91.1 | Very high | 80.2 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 124.5 | 174.7 | 3.3 | 16.9 | 0 | 0 | 0 | 111.7 | N205 Y212 L215 I287 A314 F316 | N205-P289 WeakPolarHBondContact O-CD 3.32Å; Y212-P289 HydrophobicContact CD1-CG 4.31Å; Y212-P289 HydrophobicContact CE1-CB 3.99Å; Y212-P289 HydrophobicContact CE1-CG 3.84Å; Y212-P289 PolarHBondContact OH-O 2.77Å; L215-P289 HydrophobicContact CD2-CG 4.41Å; I287-P289 WeakPolarHBondContact O-CD 3.42Å; P289-A314 VanDerWaalsContact CA-O 3.29Å; P289-A314 WeakPolarHBondContact CA-O 3.45Å; P289-F316 HydrophobicContact CB-CB 3.61Å; P289-F316 HydrophobicContact CB-CG 4.17Å |
| 290 | S | 83.1 | Confident | 79.5 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | -173.9 | 168.3 | 86.1 | 0 | 0 | 0 | 0 | 110.3 | W293 F316 | S290-W293 WeakPolarHBondContact O-CH2 3.28Å; S290-W293 WeakPolarHBondContact O-CZ3 3.3Å; S290-W293 WeakPolarHBondContact OG-CZ3 3.44Å; S290-F316 CarbonylContact C-O 3.58Å; S290-F316 WeakPolarHBondContact CA-O 3.29Å; S290-F316 PolarHBondContact O-N 2.96Å; S290-F316 VanDerWaalsContact O-O 3.12Å |
| 291 | T | 77.3 | Confident | 78.7 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.043 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -108.2 | -41 | -172.4 | -42.1 | 0 | 0 | 0 | 0 | 114.4 | F168 I176 W293 F294 G295 F316 S317 | F168-T291 HydrophobicContact CD2-CG2 4.31Å; F168-T291 HydrophobicContact CE1-CG2 4.48Å; F168-T291 HydrophobicContact CE2-CG2 3.7Å; F168-T291 HydrophobicContact CZ-CG2 3.82Å; I176-T291 HydrophobicContact CD1-CG2 3.62Å; I176-T291 HydrophobicContact CG1-CG2 3.97Å; I176-T291 HydrophobicContact CG2-CG2 4.06Å; T291-W293 PolarHBondContact O-N 3.25Å; T291-F294 WeakPolarHBondContact O-CB 3.47Å; T291-F294 PolarHBondContact O-N 3.43Å; T291-G295 PolarHBondContact O-N 3.1Å; T291-F316 PolarHBondContact N-O 3.37Å; T291-F316 PolarHBondContact OG1-O 3.49Å; T291-F316 VanDerWaalsContact OG1-O 3.04Å; T291-S317 VanDerWaalsContact OG1-CA 3.27Å; T291-S317 WeakPolarHBondContact OG1-CA 3.41Å; T291-S317 WeakPolarHBondContact OG1-CB 3.14Å; T291-S317 PolarHBondContact OG1-OG 3.2Å |
| 292 | M | 68.1 | Low | 78.5 | Confident | 16 Ų | 16 | 50 Ų | 50 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -47.8 | -155.1 | -60.7 | -152.9 | -49.4 | 0 | 0 | 113.8 | F168 F294 G295 E296 I344 Y444 C447 | F168-M292 HydrophobicContact CE1-CG 4.21Å; F168-M292 HydrophobicContact CZ-CG 4.5Å; M292-F294 PolarHBondContact O-N 3.03Å; M292-F294 VanDerWaalsContact O-N 3.08Å; M292-G295 PolarHBondContact O-N 3.33Å; M292-E296 PolarHBondContact O-N 3.13Å; M292-E296 VanDerWaalsContact O-N 3.12Å; M292-I344 HydrophobicContact CE-CD1 4.25Å; M292-I344 HydrophobicContact SD-CD1 3.74Å; M292-Y444 WeakPolarHBondContact CB-OH 3.35Å; M292-Y444 HydrophobicContact CE-CE1 4.4Å; M292-C447 HydrophobicContact CE-CB 3.84Å; M292-C447 HydrophobicContact SD-CB 3.96Å |
| 293 | W | 68.6 | Low | 78.3 | Confident | 15 Ų | 15 | 49.4 Ų | 49.4 | 6% | 0.057 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.1 | -24.5 | 179.4 | 88.1 | 85.2 | 0 | 0 | 0 | 113.2 | S290 T291 R297 I305 R313 A314 Y444 | S290-W293 WeakPolarHBondContact O-CH2 3.28Å; S290-W293 WeakPolarHBondContact O-CZ3 3.3Å; S290-W293 WeakPolarHBondContact OG-CZ3 3.44Å; T291-W293 PolarHBondContact O-N 3.25Å; W293-R297 WeakPolarHBondContact O-CD 3.37Å; W293-R297 VanDerWaalsContact O-CG 3.29Å; W293-R297 WeakPolarHBondContact O-CG 3.42Å; W293-I305 VanDerWaalsContact CD1-CD1 3.43Å; W293-I305 HydrophobicContact CG-CD1 4.41Å; W293-I305 VanDerWaalsContact NE1-CD1 3.33Å; W293-R313 HydrophobicContact CD2-CB 4.06Å; W293-R313 HydrophobicContact CE3-CB 4.26Å; W293-R313 HydrophobicContact CH2-CB 3.51Å; W293-R313 VanDerWaalsContact CZ2-C 3.4Å; W293-R313 HydrophobicContact CZ2-CB 3.36Å; W293-R313 HydrophobicContact CZ3-CB 3.93Å; W293-A314 VanDerWaalsContact CH2-N 3.33Å; W293-A314 WeakPolarHBondContact CH2-O 3.33Å; W293-Y444 PolarHBondContact N-OH 3.28Å; W293-Y444 VanDerWaalsContact N-OH 3.14Å |
| 294 | F | 65.1 | Low | 78.2 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 2% | 0.022 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -77.3 | -36.7 | 177.4 | -170.3 | -81.8 | 0 | 0 | 0 | 110.8 | P177 T291 M292 R297 K300 C315 | P177-F294 VanDerWaalsContact CD-CE1 3.44Å; P177-F294 HydrophobicContact CG-CD1 4.29Å; P177-F294 HydrophobicContact CG-CE1 3.59Å; P177-F294 HydrophobicContact CG-CE2 4.17Å; P177-F294 HydrophobicContact CG-CZ 3.53Å; T291-F294 WeakPolarHBondContact O-CB 3.47Å; T291-F294 PolarHBondContact O-N 3.43Å; M292-F294 PolarHBondContact O-N 3.03Å; M292-F294 VanDerWaalsContact O-N 3.08Å; F294-R297 PolarHBondContact O-N 3.13Å; F294-K300 HydrophobicContact CD1-CD 4.39Å; F294-K300 HydrophobicContact CD1-CG 4.24Å; F294-K300 HydrophobicContact CE1-CB 3.77Å; F294-K300 HydrophobicContact CE1-CD 3.86Å; F294-K300 HydrophobicContact CE1-CG 3.67Å; F294-K300 HydrophobicContact CZ-CB 3.77Å; F294-K300 HydrophobicContact CZ-CG 4.13Å; F294-C315 HydrophobicContact CB-CB 4.38Å; F294-C315 HydrophobicContact CD2-CB 3.86Å; F294-C315 HydrophobicContact CE2-CB 4.46Å; F294-C315 HydrophobicContact CG-CB 4.16Å |
| 295 | G | 63.5 | Low | 78 | Confident | 5 Ų | 5 | 45 Ų | 45 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.6 | -38.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T291 M292 R297 | T291-G295 PolarHBondContact O-N 3.1Å; M292-G295 PolarHBondContact O-N 3.33Å; G295-R297 VanDerWaalsContact C-N 3.29Å; G295-R297 PolarHBondContact O-N 2.88Å |
| 296 | E | 65.7 | Low | 77.8 | Confident | 102 Ų | 102 | 50.7 Ų | 50.7 | 48% | 0.477 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -74.1 | -12.9 | 179 | -70.6 | 173.5 | -111 | 0 | 0 | 114.5 | M292 T298 Y444 | M292-E296 PolarHBondContact O-N 3.13Å; M292-E296 VanDerWaalsContact O-N 3.12Å; E296-T298 PolarHBondContact O-N 3.37Å; E296-Y444 VanDerWaalsContact OE1-CE2 3.27Å; E296-Y444 WeakPolarHBondContact OE1-CE2 3.49Å; E296-Y444 VanDerWaalsContact OE1-CZ 3.3Å; E296-Y444 PolarHBondContact OE1-OH 3.37Å |
| 297 | R | 67.7 | Low | 77.5 | Confident | 56 Ų | 56 | 53.3 Ų | 53.3 | 21% | 0.211 | 27% | 0.271 | C | S | . | . | trans | -74.4 | 120.2 | 179.4 | -82 | 164.9 | 64.9 | -165.9 | 4.6 | 111.7 | W293 F294 G295 K299 T301 N302 | W293-R297 WeakPolarHBondContact O-CD 3.37Å; W293-R297 VanDerWaalsContact O-CG 3.29Å; W293-R297 WeakPolarHBondContact O-CG 3.42Å; F294-R297 PolarHBondContact O-N 3.13Å; G295-R297 VanDerWaalsContact C-N 3.29Å; G295-R297 PolarHBondContact O-N 2.88Å; R297-K299 PolarHBondContact NE-O 2.91Å; R297-K299 PolarHBondContact NH2-O 3.01Å; R297-K299 PolarHBondContact O-N 3.34Å; R297-K299 VanDerWaalsContact O-N 3.11Å; R297-T301 PolarHBondContact NH2-OG1 3.21Å; R297-T301 VanDerWaalsContact NH2-OG1 3.08Å; R297-N302 PolarHBondContact NH1-O 2.97Å; R297-N302 PolarHBondContact NH2-O 3.3Å | ||
| 298 | T | 59.2 | Low | 77.1 | Confident | 150 Ų | 150 | 54.9 Ų | 54.9 | 92% | 0.92 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -58.7 | -18.5 | 167.9 | 47.6 | 0 | 0 | 0 | 0 | 114.1 | E296 | E296-T298 PolarHBondContact O-N 3.37Š|
| 299 | K | 63.3 | Low | 76.7 | Confident | 161 Ų | 161 | 58 Ų | 58 | 70% | 0.7 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -128.7 | 97.8 | 171.1 | -67.9 | -170.5 | 178.3 | -176.3 | 0 | 111.1 | R297 T301 | R297-K299 PolarHBondContact NE-O 2.91Å; R297-K299 PolarHBondContact NH2-O 3.01Å; R297-K299 PolarHBondContact O-N 3.34Å; R297-K299 VanDerWaalsContact O-N 3.11Å; K299-T301 HydrophobicContact CB-CG2 4.28Å; K299-T301 PolarHBondContact O-N 3.1Å; K299-T301 VanDerWaalsContact O-N 3.07Å |
| 300 | K | 66.4 | Low | 76.6 | Confident | 77 Ų | 77 | 59.3 Ų | 59.3 | 34% | 0.335 | 32% | 0.323 | S | S | . | . | trans | -76.8 | 81.4 | 173.3 | -66.7 | -179.7 | 178.7 | -179.2 | 0 | 109.8 | R172 Q175 F294 | R172-K300 PolarHBondContact O-NZ 3.11Å; Q175-K300 PolarHBondContact O-NZ 3.32Å; F294-K300 HydrophobicContact CD1-CD 4.39Å; F294-K300 HydrophobicContact CD1-CG 4.24Å; F294-K300 HydrophobicContact CE1-CB 3.77Å; F294-K300 HydrophobicContact CE1-CD 3.86Å; F294-K300 HydrophobicContact CE1-CG 3.67Å; F294-K300 HydrophobicContact CZ-CB 3.77Å; F294-K300 HydrophobicContact CZ-CG 4.13Å | ||
| 301 | T | 70.1 | Confident | 77 | Confident | 107 Ų | 107 | 61 Ų | 61 | 66% | 0.656 | 34% | 0.335 | S | S | * | . | trans | -104.5 | -99.7 | -178.2 | 54.6 | 0 | 0 | 0 | 0 | 111.3 | R297 K299 | R297-T301 PolarHBondContact NH2-OG1 3.21Å; R297-T301 VanDerWaalsContact NH2-OG1 3.08Å; K299-T301 HydrophobicContact CB-CG2 4.28Å; K299-T301 PolarHBondContact O-N 3.1Å; K299-T301 VanDerWaalsContact O-N 3.07Å | ||
| 302 | N | 82.8 | Confident | 77.8 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | trans | -77.4 | 137.6 | 178.3 | -164.7 | -20.1 | 0 | 0 | 0 | 111.1 | R297 I304 | R297-N302 PolarHBondContact NH1-O 2.97Å; R297-N302 PolarHBondContact NH2-O 3.3Å; N302-I304 VanDerWaalsContact C-N 3.3Å; N302-I304 WeakPolarHBondContact CB-O 3.26Å; N302-I304 VanDerWaalsContact CG-O 3.28Å; N302-I304 PolarHBondContact OD1-N 3.22Å | ||
| 303 | V | 89.4 | Confident | 78.9 | Confident | 13 Ų | 13 | 63.1 Ų | 63.1 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -66.1 | -31.9 | 171.5 | -61.4 | 0 | 0 | 0 | 0 | 112.1 | P177 V181 C315 | P177-V303 HydrophobicContact CB-CG1 3.93Å; P177-V303 HydrophobicContact CG-CG1 3.82Å; V181-V303 HydrophobicContact CG1-CG1 4.03Å; V303-C315 HydrophobicContact CB-CB 3.92Å; V303-C315 HydrophobicContact CG1-CB 4.33Å; V303-C315 PolarHBondContact O-N 3.12Å |
| 304 | I | 90.6 | Very high | 80 | Confident | 22 Ų | 22 | 62.4 Ų | 62.4 | 11% | 0.113 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 133.3 | 170.6 | -55.2 | -52 | 0 | 0 | 0 | 109.6 | G185 I186 L189 N302 Y312 A314 | G185-I304 WeakPolarHBondContact O-CD1 3.46Å; G185-I304 WeakPolarHBondContact O-CG1 3.38Å; I186-I304 HydrophobicContact CG1-CD1 4.24Å; L189-I304 HydrophobicContact CD2-CD1 4.22Å; L189-I304 HydrophobicContact CD2-CG2 3.87Å; N302-I304 VanDerWaalsContact C-N 3.3Å; N302-I304 WeakPolarHBondContact CB-O 3.26Å; N302-I304 VanDerWaalsContact CG-O 3.28Å; N302-I304 PolarHBondContact OD1-N 3.22Å; I304-Y312 HydrophobicContact CG2-CD1 4.08Å; I304-A314 HydrophobicContact CD1-CB 3.37Å |
| 305 | I | 89.6 | Confident | 81.2 | Confident | 43 Ų | 43 | 62.2 Ų | 62.2 | 22% | 0.221 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 143.8 | 162.5 | 60.2 | 166.8 | 0 | 0 | 0 | 110.7 | W293 T307 Y312 R313 | W293-I305 VanDerWaalsContact CD1-CD1 3.43Å; W293-I305 HydrophobicContact CG-CD1 4.41Å; W293-I305 VanDerWaalsContact NE1-CD1 3.33Å; I305-T307 HydrophobicContact CD1-CG2 4Å; I305-T307 HydrophobicContact CG1-CG2 4.21Å; I305-Y312 CarbonylContact O-C 3.34Å; I305-Y312 WeakPolarHBondContact O-CA 3.41Å; I305-Y312 WeakPolarHBondContact O-CB 3.37Å; I305-R313 HydrophobicContact CD1-CB 4.32Å; I305-R313 HydrophobicContact CG1-CB 3.92Å; I305-R313 PolarHBondContact N-O 3.26Å; I305-R313 PolarHBondContact O-N 3.36Å |
| 306 | K | 90.5 | Very high | 82.5 | Confident | 121 Ų | 121 | 62.1 Ų | 62.1 | 53% | 0.526 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 125.8 | 170.8 | -171.1 | 165 | -173.3 | 151.9 | 0 | 109.2 | G308 S309 Y312 | K306-G308 WeakPolarHBondContact CE-O 3.44Å; K306-G308 VanDerWaalsContact CG-O 3.25Å; K306-G308 WeakPolarHBondContact CG-O 3.49Å; K306-S309 WeakPolarHBondContact CE-O 3.05Å; K306-S309 PolarHBondContact NZ-O 3.41Å; K306-Y312 HydrophobicContact CB-CD1 3.79Å; K306-Y312 HydrophobicContact CB-CE1 3.68Å; K306-Y312 HydrophobicContact CD-CE1 3.67Å; K306-Y312 HydrophobicContact CG-CD1 4Å; K306-Y312 HydrophobicContact CG-CE1 3.63Å; K306-Y312 PolarHBondContact NZ-OH 3.29Å |
| 307 | T | 87.8 | Confident | 83.7 | Confident | 80 Ų | 80 | 57.4 Ų | 57.4 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | -16.2 | -177 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | I305 S311 R313 | I305-T307 HydrophobicContact CD1-CG2 4Å; I305-T307 HydrophobicContact CG1-CG2 4.21Å; T307-S311 PolarHBondContact N-O 2.9Å; T307-S311 PolarHBondContact OG1-O 2.78Å; T307-R313 HydrophobicContact CG2-CB 4.5Å; T307-R313 HydrophobicContact CG2-CG 3.82Å |
| 308 | G | 85.8 | Confident | 84.8 | Confident | 32 Ų | 32 | 55.3 Ų | 55.3 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | -177.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K306 S310 S311 | K306-G308 WeakPolarHBondContact CE-O 3.44Å; K306-G308 VanDerWaalsContact CG-O 3.25Å; K306-G308 WeakPolarHBondContact CG-O 3.49Å; G308-S310 VanDerWaalsContact C-N 3.26Å; G308-S310 PolarHBondContact O-N 3.34Å; G308-S311 PolarHBondContact N-O 3.31Å; G308-S311 VanDerWaalsContact N-O 3.16Å |
| 309 | S | 84.7 | Confident | 86.5 | Confident | 104 Ų | 104 | 48.4 Ų | 48.4 | 73% | 0.727 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -42.6 | 178 | 48.9 | 0 | 0 | 0 | 0 | 112.9 | K306 | K306-S309 WeakPolarHBondContact CE-O 3.05Å; K306-S309 PolarHBondContact NZ-O 3.41Å |
| 310 | S | 89.5 | Confident | 88 | Confident | 29 Ų | 29 | 40.8 Ų | 40.8 | 20% | 0.203 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128 | 27.5 | 179.7 | -55.6 | 0 | 0 | 0 | 0 | 112.8 | I284 I285 S286 G308 | I284-S310 WeakPolarHBondContact O-CB 3.49Å; I285-S310 CarbonylContact C-O 2.97Å; I285-S310 WeakPolarHBondContact CA-O 3.44Å; S286-S310 PolarHBondContact N-O 2.85Å; S286-S310 PolarHBondContact OG-O 2.99Å; G308-S310 VanDerWaalsContact C-N 3.26Å; G308-S310 PolarHBondContact O-N 3.34Å |
| 311 | S | 91.8 | Very high | 89.4 | Confident | 42 Ų | 42 | 37.2 Ų | 37.2 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 135.6 | -175.6 | -59.3 | 0 | 0 | 0 | 0 | 112 | S286 T307 G308 | S286-S311 WeakPolarHBondContact O-CA 3.32Å; S286-S311 WeakPolarHBondContact OG-CA 3.43Å; S286-S311 WeakPolarHBondContact OG-CB 3.33Å; S286-S311 PolarHBondContact OG-OG 3.36Å; T307-S311 PolarHBondContact N-O 2.9Å; T307-S311 PolarHBondContact OG1-O 2.78Å; G308-S311 PolarHBondContact N-O 3.31Å; G308-S311 VanDerWaalsContact N-O 3.16Å |
| 312 | Y | 92.8 | Very high | 90.5 | Very high | 34 Ų | 34 | 33.5 Ų | 33.5 | 13% | 0.133 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 151.7 | -178.9 | -57.5 | -92.3 | 0 | 0 | 0 | 110.6 | L189 I285 S286 I287 K288 I304 I305 K306 | L189-Y312 HydrophobicContact CD1-CD1 4.33Å; L189-Y312 HydrophobicContact CD1-CE1 4.18Å; L189-Y312 HydrophobicContact CD1-CE2 4.42Å; L189-Y312 HydrophobicContact CD2-CD1 4.21Å; L189-Y312 HydrophobicContact CD2-CD2 4.28Å; L189-Y312 HydrophobicContact CD2-CG 3.92Å; I285-Y312 HydrophobicContact CB-CD2 4.26Å; I285-Y312 HydrophobicContact CB-CE2 4.01Å; I285-Y312 HydrophobicContact CD1-CD2 4.25Å; I285-Y312 HydrophobicContact CD1-CE2 4.02Å; I285-Y312 HydrophobicContact CG2-CE2 3.88Å; S286-Y312 PolarHBondContact O-N 3.28Å; I287-Y312 WeakPolarHBondContact CA-O 3.27Å; K288-Y312 PolarHBondContact N-O 3.22Å; I304-Y312 HydrophobicContact CG2-CD1 4.08Å; I305-Y312 CarbonylContact O-C 3.34Å; I305-Y312 WeakPolarHBondContact O-CA 3.41Å; I305-Y312 WeakPolarHBondContact O-CB 3.37Å; K306-Y312 HydrophobicContact CB-CD1 3.79Å; K306-Y312 HydrophobicContact CB-CE1 3.68Å; K306-Y312 HydrophobicContact CD-CE1 3.67Å; K306-Y312 HydrophobicContact CG-CD1 4Å; K306-Y312 HydrophobicContact CG-CE1 3.63Å; K306-Y312 PolarHBondContact NZ-OH 3.29Å |
| 313 | R | 91.8 | Very high | 91.1 | Very high | 33 Ų | 33 | 30.2 Ų | 30.2 | 13% | 0.125 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 134.1 | 163.1 | -58.6 | -177.8 | 76.2 | 165.8 | 6.8 | 108.1 | K288 W293 I305 T307 D446 | K288-R313 WeakPolarHBondContact O-CA 3.19Å; W293-R313 HydrophobicContact CD2-CB 4.06Å; W293-R313 HydrophobicContact CE3-CB 4.26Å; W293-R313 HydrophobicContact CH2-CB 3.51Å; W293-R313 VanDerWaalsContact CZ2-C 3.4Å; W293-R313 HydrophobicContact CZ2-CB 3.36Å; W293-R313 HydrophobicContact CZ3-CB 3.93Å; I305-R313 HydrophobicContact CD1-CB 4.32Å; I305-R313 HydrophobicContact CG1-CB 3.92Å; I305-R313 PolarHBondContact N-O 3.26Å; I305-R313 PolarHBondContact O-N 3.36Å; T307-R313 HydrophobicContact CG2-CB 4.5Å; T307-R313 HydrophobicContact CG2-CG 3.82Å; R313-D446 IonicContact CZ-OD2 2.98Å; R313-D446 IonicContact NH2-OD1 3.69Å; R313-D446 PolarHBondContact NH2-OD1 2.92Å; R313-D446 IonicContact NH2-OD2 3.37Å; R313-D446 PolarHBondContact NH2-OD2 3.01Å |
| 314 | A | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 115.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I186 I287 K288 P289 W293 I304 F316 | I186-A314 HydrophobicContact CD1-CB 4.01Å; I186-A314 HydrophobicContact CG1-CB 3.61Å; I287-A314 HydrophobicContact CG2-CB 3.65Å; K288-A314 PolarHBondContact O-N 3.02Å; K288-A314 VanDerWaalsContact O-N 3.12Å; P289-A314 VanDerWaalsContact CA-O 3.29Å; P289-A314 WeakPolarHBondContact CA-O 3.45Å; W293-A314 VanDerWaalsContact CH2-N 3.33Å; W293-A314 WeakPolarHBondContact CH2-O 3.33Å; I304-A314 HydrophobicContact CD1-CB 3.37Å; A314-F316 PolarHBondContact O-N 3.32Å |
| 315 | C | 91 | Very high | 91.8 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 126 | -173.5 | -171.5 | 0 | 0 | 0 | 0 | 110.4 | C182 F294 V303 | C182-C315 WeakPolarHBondContact CB-O 3.46Å; C182-C315 PolarHBondContact SG-O 3.05Å; F294-C315 HydrophobicContact CB-CB 4.38Å; F294-C315 HydrophobicContact CD2-CB 3.86Å; F294-C315 HydrophobicContact CE2-CB 4.46Å; F294-C315 HydrophobicContact CG-CB 4.16Å; V303-C315 HydrophobicContact CB-CB 3.92Å; V303-C315 HydrophobicContact CG1-CB 4.33Å; V303-C315 PolarHBondContact O-N 3.12Å |
| 316 | F | 90.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | trans | -156.5 | 131.5 | 179 | -161.9 | -95.4 | 0 | 0 | 0 | 108 | C182 I186 Y212 Y214 L215 P289 S290 T291 A314 F318 | C182-F316 HydrophobicContact CB-CD2 4.36Å; I186-F316 HydrophobicContact CD1-CD2 4.06Å; Y212-F316 HydrophobicContact CD1-CE1 4.48Å; Y214-F316 HydrophobicContact CD1-CZ 4.41Å; L215-F316 HydrophobicContact CB-CE2 4.15Å; L215-F316 HydrophobicContact CB-CZ 4.09Å; P289-F316 HydrophobicContact CB-CB 3.61Å; P289-F316 HydrophobicContact CB-CG 4.17Å; S290-F316 CarbonylContact C-O 3.58Å; S290-F316 WeakPolarHBondContact CA-O 3.29Å; S290-F316 PolarHBondContact O-N 2.96Å; S290-F316 VanDerWaalsContact O-O 3.12Å; T291-F316 PolarHBondContact N-O 3.37Å; T291-F316 PolarHBondContact OG1-O 3.49Å; T291-F316 VanDerWaalsContact OG1-O 3.04Å; A314-F316 PolarHBondContact O-N 3.32Å; F316-F318 AromaticContact CD1-CE1 3.95Å; F316-F318 HydrophobicContact CD1-CE1 3.95Å; F316-F318 HydrophobicContact CD1-CE2 4.46Å; F316-F318 AromaticContact CD1-CZ 3.83Å; F316-F318 HydrophobicContact CD1-CZ 3.83Å; F316-F318 HydrophobicContact CE1-CD1 4.34Å; F316-F318 AromaticContact CE1-CE1 3.56Å; F316-F318 HydrophobicContact CE1-CE1 3.56Å; F316-F318 AromaticContact CE1-CZ 3.85Å; F316-F318 HydrophobicContact CE1-CZ 3.85Å | ||
| 317 | S | 91.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | trans | -136.5 | 135.1 | -173.2 | -164.9 | 0 | 0 | 0 | 0 | 113.4 | R138 T291 H319 | R138-S317 VanDerWaalsContact CD-O 3.31Å; R138-S317 WeakPolarHBondContact CD-O 3.41Å; T291-S317 VanDerWaalsContact OG1-CA 3.27Å; T291-S317 WeakPolarHBondContact OG1-CA 3.41Å; T291-S317 WeakPolarHBondContact OG1-CB 3.14Å; T291-S317 PolarHBondContact OG1-OG 3.2Å; S317-H319 PolarHBondContact OG-N 3.36Å; S317-H319 PolarHBondContact OG-O 2.87Å | ||
| 318 | F | 90.1 | Very high | 93 | Very high | 11 Ų | 11 | 24 Ų | 24 | 5% | 0.048 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -93.7 | -10.3 | 175.6 | -53 | -68.9 | 0 | 0 | 0 | 113.5 | H115 R138 Y212 F316 | H115-F318 WeakPolarHBondContact ND1-CB 3.44Å; H115-F318 PolarHBondContact ND1-O 3.4Å; H115-F318 VanDerWaalsContact ND1-O 3.09Å; R138-F318 WeakPolarHBondContact CB-O 3.45Å; Y212-F318 HydrophobicContact CD1-CZ 4.01Å; Y212-F318 AromaticContact CD2-CZ 3.98Å; Y212-F318 HydrophobicContact CD2-CZ 3.98Å; Y212-F318 HydrophobicContact CE1-CE2 4.31Å; Y212-F318 AromaticContact CE1-CZ 3.71Å; Y212-F318 HydrophobicContact CE1-CZ 3.71Å; Y212-F318 HydrophobicContact CE2-CE2 4.18Å; Y212-F318 AromaticContact CE2-CZ 3.68Å; Y212-F318 HydrophobicContact CE2-CZ 3.68Å; Y212-F318 HydrophobicContact CG-CZ 4.16Å; Y212-F318 AromaticContact CZ-CE2 3.89Å; Y212-F318 AromaticContact CZ-CZ 3.57Å; F316-F318 AromaticContact CD1-CE1 3.95Å; F316-F318 HydrophobicContact CD1-CE1 3.95Å; F316-F318 HydrophobicContact CD1-CE2 4.46Å; F316-F318 AromaticContact CD1-CZ 3.83Å; F316-F318 HydrophobicContact CD1-CZ 3.83Å; F316-F318 HydrophobicContact CE1-CD1 4.34Å; F316-F318 AromaticContact CE1-CE1 3.56Å; F316-F318 HydrophobicContact CE1-CE1 3.56Å; F316-F318 AromaticContact CE1-CZ 3.85Å; F316-F318 HydrophobicContact CE1-CZ 3.85Å |
| 319 | H | 94.5 | Very high | 93.6 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 3% | 0.028 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -122.6 | 152.1 | -177.5 | -43.1 | -96.8 | 0 | 0 | 0 | 111 | H115 D136 F137 R138 D165 F168 S317 | H115-H319 AromaticContact CE1-CE1 3.6Å; H115-H319 AromaticContact CE1-NE2 3.9Å; H115-H319 AromaticContact ND1-CE1 3.88Å; D136-H319 IonicContact OD2-CE1 3.16Å; D136-H319 PolarHBondContact OD2-CE1 2.82Å; D136-H319 VanDerWaalsContact OD2-CE1 3.25Å; D136-H319 IonicContact OD2-ND1 3.3Å; F137-H319 CarbonylContact O-C 3.52Å; F137-H319 WeakPolarHBondContact O-CA 3.11Å; R138-H319 WeakPolarHBondContact CD-O 3.38Å; D165-H319 IonicContact OD1-ND1 3.51Å; D165-H319 IonicContact OD2-CE1 2.96Å; D165-H319 IonicContact OD2-CG 2.86Å; D165-H319 IonicContact OD2-ND1 3.76Å; D165-H319 PolarHBondContact OD2-ND1 3.05Å; F168-H319 HydrophobicContact CD2-CB 3.81Å; F168-H319 HydrophobicContact CE2-CB 3.84Å; F168-H319 AromaticContact CE2-CD2 3.87Å; S317-H319 PolarHBondContact OG-N 3.36Å; S317-H319 PolarHBondContact OG-O 2.87Å |
| 320 | S | 96.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | trans | -63.3 | 139.9 | 174 | -60.8 | 0 | 0 | 0 | 0 | 112.5 | F137 R138 L139 | F137-S320 WeakPolarHBondContact CD2-OG 3.44Å; F137-S320 WeakPolarHBondContact CE2-OG 3.27Å; F137-S320 PolarHBondContact O-N 2.92Å; F137-S320 PolarHBondContact O-OG 3.2Å; F137-S320 VanDerWaalsContact O-OG 3.05Å; R138-S320 WeakPolarHBondContact CA-OG 3.45Å; L139-S320 PolarHBondContact N-OG 3.45Å | ||
| 321 | S | 94.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | trans | -69.2 | 165.6 | 168.6 | 62.4 | 0 | 0 | 0 | 0 | 112.1 | F173 S323 E324 I325 | F173-S321 WeakPolarHBondContact O-CB 3.41Å; S321-S323 PolarHBondContact O-N 2.86Å; S321-S323 PolarHBondContact OG-OG 3.4Å; S321-E324 WeakPolarHBondContact CA-OE2 3.47Å; S321-E324 WeakPolarHBondContact CB-OE2 3.46Å; S321-E324 PolarHBondContact N-OE2 3.07Å; S321-E324 PolarHBondContact O-N 3.05Å; S321-E324 VanDerWaalsContact OG-CD 3.29Å; S321-E324 WeakPolarHBondContact OG-CG 3.22Å; S321-E324 PolarHBondContact OG-N 2.68Å; S321-E324 PolarHBondContact OG-OE2 2.87Å; S321-I325 WeakPolarHBondContact O-CG1 3.47Å; S321-I325 PolarHBondContact O-N 3.3Å | ||
| 322 | Y | 94.3 | Very high | 94.8 | Very high | 30 Ų | 30 | 21.2 Ų | 21.2 | 12% | 0.118 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.2 | -32.3 | 177.3 | 177.2 | -98.2 | 0 | 0 | 0 | 112.8 | Y169 P171 F173 Y174 K326 M354 | Y169-Y322 HydrophobicContact CD1-CE2 4.39Å; Y169-Y322 AromaticContact CD2-CD2 3.57Å; Y169-Y322 HydrophobicContact CD2-CD2 3.57Å; Y169-Y322 AromaticContact CD2-CE2 3.86Å; Y169-Y322 HydrophobicContact CD2-CE2 3.86Å; Y169-Y322 HydrophobicContact CE1-CE2 4.15Å; Y169-Y322 AromaticContact CE2-CD2 3.73Å; Y169-Y322 HydrophobicContact CE2-CD2 3.73Å; Y169-Y322 AromaticContact CE2-CE2 3.57Å; Y169-Y322 HydrophobicContact CE2-CE2 3.57Å; Y169-Y322 HydrophobicContact CG-CD2 4.04Å; Y169-Y322 HydrophobicContact CG-CE2 4.26Å; Y169-Y322 AromaticContact CZ-CE2 3.73Å; P171-Y322 HydrophobicContact CB-CE1 4.44Å; P171-Y322 HydrophobicContact CG-CE1 4.02Å; P171-Y322 HydrophobicContact CG-CE2 4.24Å; F173-Y322 PolarHBondContact O-N 2.67Å; F173-Y322 VanDerWaalsContact O-N 3.12Å; Y174-Y322 AromaticContact CD2-CD1 3.66Å; Y174-Y322 HydrophobicContact CD2-CD1 3.66Å; Y174-Y322 HydrophobicContact CD2-CE1 4.05Å; Y174-Y322 HydrophobicContact CE2-CD1 4.09Å; Y174-Y322 HydrophobicContact CE2-CE1 4.21Å; Y322-K326 HydrophobicContact CD1-CD 4.24Å; Y322-K326 HydrophobicContact CE1-CD 3.62Å; Y322-K326 HydrophobicContact CE1-CG 4.35Å; Y322-K326 HydrophobicContact CE2-CD 4.41Å; Y322-K326 VanDerWaalsContact O-CB 3.3Å; Y322-K326 WeakPolarHBondContact O-CB 3.37Å; Y322-K326 WeakPolarHBondContact O-CG 3.31Å; Y322-K326 PolarHBondContact O-N 3.21Å; Y322-M354 HydrophobicContact CE2-CE 3.91Å |
| 323 | S | 94.8 | Very high | 95 | Very high | 24 Ų | 24 | 24.8 Ų | 24.8 | 17% | 0.168 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -73.8 | -39.5 | 172.5 | 62.6 | 0 | 0 | 0 | 0 | 113.5 | Y174 S321 K326 D327 | Y174-S323 WeakPolarHBondContact O-CB 3.49Å; Y174-S323 PolarHBondContact O-N 2.85Å; Y174-S323 PolarHBondContact O-OG 3.11Å; S321-S323 PolarHBondContact O-N 2.86Å; S321-S323 PolarHBondContact OG-OG 3.4Å; S323-K326 PolarHBondContact O-N 3.45Å; S323-D327 PolarHBondContact O-N 3.4Å |
| 324 | E | 97.4 | Very high | 95.3 | Very high | 19 Ų | 19 | 23.2 Ų | 23.2 | 9% | 0.089 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.6 | -44.1 | 176.1 | -74 | 156.6 | 141.7 | 0 | 0 | 110.3 | R138 L139 V141 S321 K326 D327 F328 | R138-E324 IonicContact CZ-OE1 3.71Å; R138-E324 IonicContact NE-OE1 3.77Å; R138-E324 PolarHBondContact NE-OE1 3.47Å; R138-E324 IonicContact NE-OE2 2.91Å; R138-E324 IonicContact NH2-OE1 2.7Å; R138-E324 PolarHBondContact NH2-OE1 3.42Å; R138-E324 IonicContact NH2-OE2 3.89Å; L139-E324 WeakPolarHBondContact O-CB 3.22Å; L139-E324 WeakPolarHBondContact O-CG 3.15Å; V141-E324 HydrophobicContact CG2-CG 4.43Å; S321-E324 WeakPolarHBondContact CA-OE2 3.47Å; S321-E324 WeakPolarHBondContact CB-OE2 3.46Å; S321-E324 PolarHBondContact N-OE2 3.07Å; S321-E324 PolarHBondContact O-N 3.05Å; S321-E324 VanDerWaalsContact OG-CD 3.29Å; S321-E324 WeakPolarHBondContact OG-CG 3.22Å; S321-E324 PolarHBondContact OG-N 2.68Å; S321-E324 PolarHBondContact OG-OE2 2.87Å; E324-K326 PolarHBondContact O-N 2.93Å; E324-D327 PolarHBondContact O-N 3.5Å; E324-F328 WeakPolarHBondContact O-CB 3.48Å; E324-F328 PolarHBondContact O-N 3.15Å |
| 325 | I | 98 | Very high | 95.5 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 173.9 | -61.3 | 168.3 | 0 | 0 | 0 | 111.2 | F137 L164 Y169 S321 L329 | F137-I325 HydrophobicContact CZ-CG1 4.33Å; L164-I325 HydrophobicContact CD1-CG2 4.37Å; L164-I325 HydrophobicContact CD2-CG2 3.93Å; Y169-I325 HydrophobicContact CD2-CB 4.02Å; Y169-I325 HydrophobicContact CD2-CD1 4.22Å; Y169-I325 HydrophobicContact CD2-CG2 3.51Å; Y169-I325 HydrophobicContact CE2-CB 4.49Å; Y169-I325 HydrophobicContact CE2-CG2 3.87Å; S321-I325 WeakPolarHBondContact O-CG1 3.47Å; S321-I325 PolarHBondContact O-N 3.3Å; I325-L329 HydrophobicContact CG2-CD1 3.85Å; I325-L329 HydrophobicContact CG2-CG 4.29Å; I325-L329 WeakPolarHBondContact O-CB 3.44Å; I325-L329 WeakPolarHBondContact O-CG 3.36Å; I325-L329 PolarHBondContact O-N 3.08Å |
| 326 | K | 96.9 | Very high | 95.9 | Very high | 72 Ų | 72 | 26.6 Ų | 26.6 | 31% | 0.313 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -66.2 | -38.5 | 177.8 | -86.4 | -164.7 | 68.1 | 178.2 | 0 | 112.9 | Y169 Y322 S323 E324 S330 M358 | Y169-K326 HydrophobicContact CE2-CG 4.12Å; Y322-K326 HydrophobicContact CD1-CD 4.24Å; Y322-K326 HydrophobicContact CE1-CD 3.62Å; Y322-K326 HydrophobicContact CE1-CG 4.35Å; Y322-K326 HydrophobicContact CE2-CD 4.41Å; Y322-K326 VanDerWaalsContact O-CB 3.3Å; Y322-K326 WeakPolarHBondContact O-CB 3.37Å; Y322-K326 WeakPolarHBondContact O-CG 3.31Å; Y322-K326 PolarHBondContact O-N 3.21Å; S323-K326 PolarHBondContact O-N 3.45Å; E324-K326 PolarHBondContact O-N 2.93Å; K326-S330 VanDerWaalsContact O-CB 3.23Å; K326-S330 WeakPolarHBondContact O-CB 3.23Å; K326-S330 PolarHBondContact O-N 3.32Å; K326-S330 PolarHBondContact O-OG 3.33Å; K326-M358 HydrophobicContact CB-CE 4.19Å; K326-M358 HydrophobicContact CD-SD 4.46Å; K326-M358 HydrophobicContact CG-CE 4.06Å; K326-M358 HydrophobicContact CG-SD 4.27Å; K326-M358 WeakPolarHBondContact O-CE 3.4Å |
| 327 | D | 97.6 | Very high | 96.2 | Very high | 53 Ų | 53 | 26.8 Ų | 26.8 | 28% | 0.283 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -61.9 | -52.8 | 174.8 | -175.8 | 67.2 | 0 | 0 | 0 | 110.5 | V141 G142 S323 E324 L329 S330 Y331 | V141-D327 WeakPolarHBondContact CA-OD2 3.17Å; V141-D327 HydrophobicContact CG2-CB 4.29Å; G142-D327 PolarHBondContact N-OD2 3.28Å; S323-D327 PolarHBondContact O-N 3.4Å; E324-D327 PolarHBondContact O-N 3.5Å; D327-L329 PolarHBondContact O-N 2.99Å; D327-S330 PolarHBondContact O-N 2.94Å; D327-S330 VanDerWaalsContact O-N 3.12Å; D327-Y331 WeakPolarHBondContact O-CB 3.44Å; D327-Y331 PolarHBondContact O-N 2.93Å |
| 328 | F | 98.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.018 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -50 | -52.8 | 175.4 | -177.8 | -102.2 | 0 | 0 | 0 | 112.6 | M121 L132 T134 F137 L139 A144 V162 L164 E324 Y331 L332 | M121-F328 HydrophobicContact CE-CE2 4.35Å; M121-F328 HydrophobicContact SD-CE2 4.19Å; M121-F328 HydrophobicContact SD-CZ 3.97Å; L132-F328 HydrophobicContact CD2-CE1 4.46Å; L132-F328 HydrophobicContact CD2-CZ 3.8Å; T134-F328 HydrophobicContact CG2-CE1 3.99Å; T134-F328 HydrophobicContact CG2-CZ 4.03Å; F137-F328 HydrophobicContact CE2-CD1 4.24Å; F137-F328 HydrophobicContact CE2-CD2 4.2Å; F137-F328 HydrophobicContact CE2-CE1 4.41Å; F137-F328 HydrophobicContact CE2-CE2 4.38Å; F137-F328 HydrophobicContact CE2-CG 4.13Å; F137-F328 HydrophobicContact CE2-CZ 4.47Å; F137-F328 AromaticContact CZ-CD1 3.9Å; F137-F328 HydrophobicContact CZ-CD1 3.9Å; F137-F328 HydrophobicContact CZ-CE1 4.06Å; F137-F328 HydrophobicContact CZ-CG 4.21Å; L139-F328 HydrophobicContact CD1-CD2 3.97Å; L139-F328 HydrophobicContact CD1-CE2 3.77Å; A144-F328 HydrophobicContact CB-CD2 3.94Å; A144-F328 HydrophobicContact CB-CE2 4.35Å; V162-F328 HydrophobicContact CG1-CE1 4.41Å; L164-F328 HydrophobicContact CD1-CD1 4.18Å; L164-F328 HydrophobicContact CD1-CE1 4.06Å; E324-F328 WeakPolarHBondContact O-CB 3.48Å; E324-F328 PolarHBondContact O-N 3.15Å; F328-Y331 PolarHBondContact O-N 2.97Å; F328-L332 HydrophobicContact CD1-CD1 4.13Å; F328-L332 HydrophobicContact CE1-CD1 3.66Å; F328-L332 HydrophobicContact CE2-CD1 4.09Å; F328-L332 HydrophobicContact CZ-CD1 3.65Å; F328-L332 WeakPolarHBondContact O-CG 3.37Å; F328-L332 PolarHBondContact O-N 3.35Å |
| 329 | L | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.1 | -36.5 | 178.9 | -67.4 | 173.7 | 0 | 0 | 0 | 113.4 | L164 Y169 I325 D327 Y331 L332 Q333 I337 L355 M358 | L164-L329 HydrophobicContact CD1-CD2 4.17Å; L164-L329 HydrophobicContact CD2-CD1 3.85Å; L164-L329 HydrophobicContact CD2-CD2 4.2Å; L164-L329 HydrophobicContact CD2-CG 4.39Å; Y169-L329 HydrophobicContact CE2-CD1 4.45Å; I325-L329 HydrophobicContact CG2-CD1 3.85Å; I325-L329 HydrophobicContact CG2-CG 4.29Å; I325-L329 WeakPolarHBondContact O-CB 3.44Å; I325-L329 WeakPolarHBondContact O-CG 3.36Å; I325-L329 PolarHBondContact O-N 3.08Å; D327-L329 PolarHBondContact O-N 2.99Å; L329-Y331 PolarHBondContact O-N 3.14Å; L329-L332 PolarHBondContact O-N 3.02Å; L329-Q333 PolarHBondContact O-N 3.4Å; L329-I337 HydrophobicContact CD1-CD1 4.12Å; L329-I337 HydrophobicContact CD2-CD1 3.81Å; L329-I337 HydrophobicContact CD2-CG1 4.13Å; L329-I337 HydrophobicContact CD2-CG2 4.16Å; L329-I337 HydrophobicContact CG-CD1 4.42Å; L329-L355 HydrophobicContact CD1-CD2 3.69Å; L329-M358 HydrophobicContact CB-CB 4.11Å; L329-M358 HydrophobicContact CB-CE 4.03Å; L329-M358 HydrophobicContact CD1-CB 4.12Å; L329-M358 HydrophobicContact CD1-CG 4.21Å |
| 330 | S | 96.6 | Very high | 96.9 | Very high | 58 Ų | 58 | 28.6 Ų | 28.6 | 41% | 0.406 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -65.7 | -30.6 | 176.8 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | K326 D327 Q333 M358 | K326-S330 VanDerWaalsContact O-CB 3.23Å; K326-S330 WeakPolarHBondContact O-CB 3.23Å; K326-S330 PolarHBondContact O-N 3.32Å; K326-S330 PolarHBondContact O-OG 3.33Å; D327-S330 PolarHBondContact O-N 2.94Å; D327-S330 VanDerWaalsContact O-N 3.12Å; S330-Q333 WeakPolarHBondContact O-CG 3.31Å; S330-Q333 PolarHBondContact O-NE2 3.02Å; S330-M358 WeakPolarHBondContact OG-CE 3.36Å |
| 331 | Y | 97.6 | Very high | 96.8 | Very high | 88 Ų | 88 | 29.2 Ų | 29.2 | 35% | 0.345 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -75.4 | -45.1 | 175.5 | -164.5 | -103.4 | 0 | 0 | 0 | 111.8 | A144 S145 H151 V156 D327 F328 L329 | A144-Y331 HydrophobicContact CB-CD1 3.97Å; S145-Y331 WeakPolarHBondContact CA-OH 3.43Å; S145-Y331 VanDerWaalsContact CB-OH 3.3Å; S145-Y331 WeakPolarHBondContact CB-OH 3.38Å; H151-Y331 AromaticContact NE2-CE1 3.47Å; H151-Y331 WeakPolarHBondContact NE2-CE1 3.4Å; H151-Y331 AromaticContact NE2-CZ 3.68Å; H151-Y331 PolarHBondContact NE2-OH 3.17Å; V156-Y331 HydrophobicContact CG2-CD1 3.9Å; V156-Y331 HydrophobicContact CG2-CE1 3.45Å; V156-Y331 VanDerWaalsContact CG2-CE1 3.45Å; D327-Y331 WeakPolarHBondContact O-CB 3.44Å; D327-Y331 PolarHBondContact O-N 2.93Å; F328-Y331 PolarHBondContact O-N 2.97Å; L329-Y331 PolarHBondContact O-N 3.14Å |
| 332 | L | 97.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -75 | -33 | -176.8 | -66.3 | -173.7 | 0 | 0 | 0 | 114.7 | L132 L150 V156 I159 V162 F328 L329 | L132-L332 HydrophobicContact CD2-CD1 3.63Å; L150-L332 HydrophobicContact CD1-CD2 4.2Å; L150-L332 HydrophobicContact CD2-CD2 4.46Å; V156-L332 HydrophobicContact CG1-CD2 3.74Å; I159-L332 HydrophobicContact CD1-CB 4.37Å; I159-L332 HydrophobicContact CD1-CD1 4.13Å; I159-L332 HydrophobicContact CD1-CD2 3.88Å; I159-L332 HydrophobicContact CD1-CG 4.35Å; V162-L332 HydrophobicContact CG2-CD1 4.28Å; F328-L332 HydrophobicContact CD1-CD1 4.13Å; F328-L332 HydrophobicContact CE1-CD1 3.66Å; F328-L332 HydrophobicContact CE2-CD1 4.09Å; F328-L332 HydrophobicContact CZ-CD1 3.65Å; F328-L332 WeakPolarHBondContact O-CG 3.37Å; F328-L332 PolarHBondContact O-N 3.35Å; L329-L332 PolarHBondContact O-N 3.02Å |
| 333 | Q | 96.1 | Very high | 96.5 | Very high | 108 Ų | 108 | 30.3 Ų | 30.3 | 51% | 0.505 | 16% | 0.157 | S | C | . | . | trans | 41.6 | 56.8 | -176.4 | -53.8 | -166 | -12.4 | 0 | 0 | 113.7 | L329 S330 R360 | L329-Q333 PolarHBondContact O-N 3.4Å; S330-Q333 WeakPolarHBondContact O-CG 3.31Å; S330-Q333 PolarHBondContact O-NE2 3.02Å; Q333-R360 VanDerWaalsContact O-CZ 3.28Å; Q333-R360 PolarHBondContact O-NE 2.78Å; Q333-R360 PolarHBondContact O-NH2 3.27Å | ||
| 334 | P | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -74.1 | 160.4 | -177.9 | 34.7 | -38.6 | 0 | 0 | 0 | 111.7 | I159 V162 I337 C359 R360 | I159-P334 HydrophobicContact CB-CB 4.22Å; I159-P334 HydrophobicContact CG2-CB 3.92Å; I159-P334 VanDerWaalsContact O-CA 3.24Å; I159-P334 WeakPolarHBondContact O-CA 3.14Å; V162-P334 HydrophobicContact CB-CG 4.42Å; V162-P334 HydrophobicContact CG2-CB 3.67Å; V162-P334 HydrophobicContact CG2-CG 3.71Å; P334-I337 HydrophobicContact CG-CD1 3.98Å; P334-I337 HydrophobicContact CG-CG1 3.52Å; P334-C359 WeakPolarHBondContact O-CA 3.33Å; P334-R360 PolarHBondContact O-N 2.83Å | ||
| 335 | V | 97.6 | Very high | 95.3 | Very high | 24 Ų | 24 | 36.7 Ų | 36.7 | 15% | 0.145 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -70.2 | -42.4 | 176.7 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | I159 Q160 C359 Q362 | I159-V335 PolarHBondContact O-N 2.88Å; Q160-V335 WeakPolarHBondContact O-CB 3.34Å; V335-C359 PolarHBondContact O-SG 2.98Å; V335-Q362 HydrophobicContact CG1-CG 4.26Å; V335-Q362 VanDerWaalsContact CG1-NE2 3.3Å |
| 336 | N | 97.6 | Very high | 94.9 | Very high | 48 Ų | 48 | 41.1 Ų | 41.1 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 151.4 | 178.6 | -51.1 | -93.5 | 0 | 0 | 0 | 111.5 | Q160 S161 V162 F338 | Q160-N336 PolarHBondContact NE2-ND2 3.25Å; Q160-N336 PolarHBondContact O-N 3.45Å; Q160-N336 PolarHBondContact O-ND2 3.32Å; S161-N336 WeakPolarHBondContact CA-O 3.39Å; V162-N336 PolarHBondContact N-O 2.85Å; N336-F338 HydrophobicContact CB-CE2 3.75Å; N336-F338 HydrophobicContact CB-CZ 3.71Å |
| 337 | I | 98.1 | Very high | 94.7 | Very high | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.046 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 129.5 | 171.7 | -51.5 | 159.9 | 0 | 0 | 0 | 108.6 | V162 L164 L329 P334 L355 M358 | V162-I337 CarbonylContact O-C 3.55Å; V162-I337 WeakPolarHBondContact O-CA 3.13Å; L164-I337 HydrophobicContact CB-CG2 4.16Å; L164-I337 HydrophobicContact CD2-CG2 3.82Å; L329-I337 HydrophobicContact CD1-CD1 4.12Å; L329-I337 HydrophobicContact CD2-CD1 3.81Å; L329-I337 HydrophobicContact CD2-CG1 4.13Å; L329-I337 HydrophobicContact CD2-CG2 4.16Å; L329-I337 HydrophobicContact CG-CD1 4.42Å; P334-I337 HydrophobicContact CG-CD1 3.98Å; P334-I337 HydrophobicContact CG-CG1 3.52Å; I337-L355 HydrophobicContact CB-CB 4.31Å; I337-L355 HydrophobicContact CG2-CB 4.34Å; I337-L355 HydrophobicContact CG2-CD1 4.14Å; I337-L355 HydrophobicContact CG2-CD2 4.01Å; I337-L355 HydrophobicContact CG2-CG 4.4Å; I337-M358 HydrophobicContact CD1-CB 3.8Å |
| 338 | F | 97.3 | Very high | 94.5 | Very high | 43 Ų | 43 | 41.7 Ų | 41.7 | 19% | 0.189 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 120.8 | -180 | -59 | -62.5 | 0 | 0 | 0 | 109.8 | K9 V162 Y163 L164 N336 S340 | K9-F338 HydrophobicContact CD-CE2 4.16Å; K9-F338 HydrophobicContact CD-CZ 3.88Å; K9-F338 VanDerWaalsContact NZ-CZ 3.3Å; V162-F338 PolarHBondContact O-N 3.06Å; Y163-F338 HydrophobicContact CD1-CB 3.71Å; Y163-F338 HydrophobicContact CD1-CD2 4.12Å; Y163-F338 HydrophobicContact CD1-CG 4.31Å; Y163-F338 HydrophobicContact CD2-CD2 4.36Å; Y163-F338 HydrophobicContact CE1-CB 3.72Å; Y163-F338 AromaticContact CE1-CD2 3.54Å; Y163-F338 HydrophobicContact CE1-CD2 3.54Å; Y163-F338 HydrophobicContact CE1-CE2 4.47Å; Y163-F338 AromaticContact CE1-CG 3.86Å; Y163-F338 HydrophobicContact CE1-CG 3.86Å; Y163-F338 AromaticContact CE2-CD2 3.81Å; Y163-F338 HydrophobicContact CE2-CD2 3.81Å; Y163-F338 HydrophobicContact CE2-CE2 4.35Å; Y163-F338 HydrophobicContact CG-CB 4.42Å; Y163-F338 HydrophobicContact CG-CD2 4.49Å; Y163-F338 AromaticContact CZ-CD2 3.36Å; Y163-F338 AromaticContact CZ-CE2 3.94Å; L164-F338 PolarHBondContact N-O 3.1Å; N336-F338 HydrophobicContact CB-CE2 3.75Å; N336-F338 HydrophobicContact CB-CZ 3.71Å; F338-S340 PolarHBondContact O-N 3.11Å |
| 339 | P | 97.3 | Very high | 94.2 | Very high | 15 Ų | 15 | 46.3 Ų | 46.3 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 121.4 | 178.9 | 27.6 | -32.5 | 0 | 0 | 0 | 111.3 | S166 V341 L348 V351 L355 | S166-P339 WeakPolarHBondContact OG-CA 3.25Å; S166-P339 WeakPolarHBondContact OG-CB 3.47Å; P339-V341 VanDerWaalsContact C-N 3.27Å; P339-L348 HydrophobicContact CG-CD1 3.6Å; P339-V351 HydrophobicContact CB-CG1 3.7Å; P339-V351 HydrophobicContact CG-CG1 3.96Å; P339-L355 HydrophobicContact CB-CD1 3.79Å; P339-L355 HydrophobicContact CG-CD1 4.04Å |
| 340 | S | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -71.8 | -21.1 | 171.1 | -61 | 0 | 0 | 0 | 0 | 112.7 | S2 S3 F4 L164 S166 F338 | S2-S340 CarbonylContact C-O 3.6Å; S2-S340 WeakPolarHBondContact CA-O 3.32Å; S2-S340 PolarHBondContact OG-O 2.75Å; S2-S340 VanDerWaalsContact OG-O 3.12Å; S3-S340 PolarHBondContact N-O 3.13Å; S3-S340 PolarHBondContact OG-O 2.83Å; S3-S340 VanDerWaalsContact OG-O 3.13Å; F4-S340 PolarHBondContact N-O 3.18Å; L164-S340 PolarHBondContact N-OG 2.91Å; L164-S340 VanDerWaalsContact O-CB 3.31Å; L164-S340 WeakPolarHBondContact O-CB 3.33Å; L164-S340 PolarHBondContact O-N 2.93Å; L164-S340 PolarHBondContact O-OG 2.89Å; S166-S340 PolarHBondContact OG-N 2.98Å; S166-S340 VanDerWaalsContact OG-N 3.13Å; F338-S340 PolarHBondContact O-N 3.11Å |
| 341 | V | 94.1 | Very high | 93.9 | Very high | 13 Ų | 13 | 46.8 Ų | 46.8 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -136.4 | 143.8 | -177.6 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | S166 P339 | S166-V341 VanDerWaalsContact CB-O 3.26Å; S166-V341 WeakPolarHBondContact CB-O 3.16Å; S166-V341 PolarHBondContact OG-N 3.39Å; S166-V341 PolarHBondContact OG-O 3.41Å; S166-V341 VanDerWaalsContact OG-O 3.04Å; P339-V341 VanDerWaalsContact C-N 3.27Å |
| 342 | V | 93 | Very high | 93.7 | Very high | 50 Ų | 50 | 44 Ų | 44 | 30% | 0.303 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -100.1 | 116.4 | 170.4 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | R346 L348 | V342-R346 VanDerWaalsContact CG1-O 3.28Å; V342-R346 WeakPolarHBondContact CG1-O 2.94Å; V342-L348 HydrophobicContact CG2-CB 3.99Å; V342-L348 HydrophobicContact CG2-CD1 3.94Å |
| 343 | P | 88.9 | Confident | 93.6 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.032 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 145 | 176.7 | -29.2 | 37.4 | 0 | 0 | 0 | 114 | S166 D170 G345 R346 V351 | S166-P343 VanDerWaalsContact O-CG 3.24Å; S166-P343 WeakPolarHBondContact O-CG 3.46Å; D170-P343 HydrophobicContact CB-CB 4.5Å; P343-G345 PolarHBondContact O-N 2.94Å; P343-G345 VanDerWaalsContact O-N 3.16Å; P343-R346 HydrophobicContact CB-CB 4.49Å; P343-R346 HydrophobicContact CB-CG 4.22Å; P343-R346 PolarHBondContact O-N 3.4Å; P343-V351 HydrophobicContact CG-CG2 4.38Å |
| 344 | I | 82.9 | Confident | 93.5 | Very high | 104 Ų | 104 | 46.4 Ų | 46.4 | 53% | 0.533 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 119.3 | 178.7 | -56.1 | 172 | 0 | 0 | 0 | 110 | R172 M292 C447 | R172-I344 PolarHBondContact NH2-O 2.81Å; M292-I344 HydrophobicContact CE-CD1 4.25Å; M292-I344 HydrophobicContact SD-CD1 3.74Å; I344-C447 HydrophobicContact CD1-CB 3.79Å |
| 345 | G | 84.6 | Confident | 93.4 | Very high | 73 Ų | 73 | 46.5 Ų | 46.5 | 75% | 0.753 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | 17.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P343 | P343-G345 PolarHBondContact O-N 2.94Å; P343-G345 VanDerWaalsContact O-N 3.16Å |
| 346 | R | 89.4 | Confident | 93.2 | Very high | 93 Ų | 93 | 53.4 Ų | 53.4 | 35% | 0.351 | 29% | 0.287 | S | S | . | . | trans | -123 | 159.1 | 169.5 | -63.8 | -64 | -178.9 | 161.7 | 0.9 | 111.3 | D170 V342 P343 V351 | D170-R346 VanDerWaalsContact CG-NH2 3.35Å; D170-R346 IonicContact OD1-NH2 3.32Å; D170-R346 PolarHBondContact OD1-NH2 2.86Å; D170-R346 IonicContact OD2-CZ 3.29Å; D170-R346 VanDerWaalsContact OD2-CZ 3.29Å; D170-R346 IonicContact OD2-NE 2.72Å; D170-R346 PolarHBondContact OD2-NE 3.07Å; D170-R346 IonicContact OD2-NH2 2.97Å; D170-R346 PolarHBondContact OD2-NH2 2.88Å; V342-R346 VanDerWaalsContact CG1-O 3.28Å; V342-R346 WeakPolarHBondContact CG1-O 2.94Å; P343-R346 HydrophobicContact CB-CB 4.49Å; P343-R346 HydrophobicContact CB-CG 4.22Å; P343-R346 PolarHBondContact O-N 3.4Å; R346-V351 HydrophobicContact CB-CG2 3.89Å; R346-V351 HydrophobicContact CG-CG2 4.48Å | ||
| 347 | S | 93 | Very high | 93 | Very high | 48 Ų | 48 | 58.1 Ų | 58.1 | 34% | 0.336 | 31% | 0.311 | S | S | . | . | trans | -93.2 | 157.2 | 163 | 76.9 | 0 | 0 | 0 | 0 | 111.2 | T349 D350 V351 | S347-T349 PolarHBondContact O-N 2.91Å; S347-T349 PolarHBondContact OG-N 3.19Å; S347-D350 WeakPolarHBondContact CA-OD2 3.27Å; S347-D350 VanDerWaalsContact CB-OD2 3.29Å; S347-D350 WeakPolarHBondContact CB-OD2 3.46Å; S347-D350 PolarHBondContact N-OD2 2.93Å; S347-D350 PolarHBondContact O-N 3.42Å; S347-D350 PolarHBondContact OG-N 3.36Å; S347-D350 PolarHBondContact OG-OD2 3.1Å; S347-V351 WeakPolarHBondContact O-CG2 3.15Å; S347-V351 PolarHBondContact O-N 2.89Å | ||
| 348 | L | 92.8 | Very high | 92.8 | Very high | 89 Ų | 89 | 59 Ų | 59 | 47% | 0.466 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -54.9 | -34.5 | 171.8 | 179.5 | 61.2 | 0 | 0 | 0 | 112 | P339 V342 T352 | P339-L348 HydrophobicContact CG-CD1 3.6Å; V342-L348 HydrophobicContact CG2-CB 3.99Å; V342-L348 HydrophobicContact CG2-CD1 3.94Å; L348-T352 VanDerWaalsContact O-CB 3.27Å; L348-T352 WeakPolarHBondContact O-CB 3.45Å; L348-T352 PolarHBondContact O-N 2.66Å; L348-T352 PolarHBondContact O-OG1 3.18Å |
| 349 | T | 93.4 | Very high | 92.6 | Very high | 102 Ų | 102 | 58.3 Ų | 58.3 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.6 | -46.5 | 178.3 | -50.3 | 0 | 0 | 0 | 0 | 111.7 | S347 T352 Q353 | S347-T349 PolarHBondContact O-N 2.91Å; S347-T349 PolarHBondContact OG-N 3.19Å; T349-T352 PolarHBondContact O-N 3.42Å; T349-Q353 WeakPolarHBondContact O-CB 3.12Å; T349-Q353 PolarHBondContact O-N 2.86Å |
| 350 | D | 93.5 | Very high | 92.3 | Very high | 67 Ų | 67 | 61.6 Ų | 61.6 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 179.7 | -51 | -52.9 | 0 | 0 | 0 | 110.8 | S347 T352 Q353 M354 | S347-D350 WeakPolarHBondContact CA-OD2 3.27Å; S347-D350 VanDerWaalsContact CB-OD2 3.29Å; S347-D350 WeakPolarHBondContact CB-OD2 3.46Å; S347-D350 PolarHBondContact N-OD2 2.93Å; S347-D350 PolarHBondContact O-N 3.42Å; S347-D350 PolarHBondContact OG-N 3.36Å; S347-D350 PolarHBondContact OG-OD2 3.1Å; D350-T352 PolarHBondContact O-N 3.04Å; D350-Q353 PolarHBondContact O-N 2.92Å; D350-M354 WeakPolarHBondContact O-CG 3.36Å; D350-M354 PolarHBondContact O-N 2.82Å |
| 351 | V | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.3 | -46 | 179.7 | -179.8 | 0 | 0 | 0 | 0 | 110 | Y169 P339 P343 R346 S347 Q353 M354 L355 | Y169-V351 HydrophobicContact CD1-CG1 4.34Å; P339-V351 HydrophobicContact CB-CG1 3.7Å; P339-V351 HydrophobicContact CG-CG1 3.96Å; P343-V351 HydrophobicContact CG-CG2 4.38Å; R346-V351 HydrophobicContact CB-CG2 3.89Å; R346-V351 HydrophobicContact CG-CG2 4.48Å; S347-V351 WeakPolarHBondContact O-CG2 3.15Å; S347-V351 PolarHBondContact O-N 2.89Å; V351-Q353 PolarHBondContact O-N 2.94Å; V351-M354 PolarHBondContact O-N 2.8Å; V351-L355 HydrophobicContact CG1-CD1 3.88Å; V351-L355 HydrophobicContact CG1-CG 4.48Å; V351-L355 WeakPolarHBondContact O-CB 3.46Å; V351-L355 VanDerWaalsContact O-CG 3.3Å; V351-L355 WeakPolarHBondContact O-CG 3.1Å; V351-L355 PolarHBondContact O-N 3.4Å |
| 352 | T | 94.3 | Very high | 89.4 | Confident | 30 Ų | 30 | 75.1 Ų | 75.1 | 18% | 0.184 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | 176.9 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | L348 T349 D350 L355 R356 | L348-T352 VanDerWaalsContact O-CB 3.27Å; L348-T352 WeakPolarHBondContact O-CB 3.45Å; L348-T352 PolarHBondContact O-N 2.66Å; L348-T352 PolarHBondContact O-OG1 3.18Å; T349-T352 PolarHBondContact O-N 3.42Å; D350-T352 PolarHBondContact O-N 3.04Å; T352-L355 PolarHBondContact O-N 3.01Å; T352-R356 VanDerWaalsContact O-CG 3.32Å; T352-R356 WeakPolarHBondContact O-CG 3.49Å; T352-R356 PolarHBondContact O-N 3.29Å |
| 353 | Q | 94 | Very high | 87.3 | Confident | 125 Ų | 125 | 77.5 Ų | 77.5 | 58% | 0.584 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.8 | -39.5 | 176.4 | -176.4 | 173.2 | -7.7 | 0 | 0 | 112 | T349 D350 V351 | T349-Q353 WeakPolarHBondContact O-CB 3.12Å; T349-Q353 PolarHBondContact O-N 2.86Å; D350-Q353 PolarHBondContact O-N 2.92Å; V351-Q353 PolarHBondContact O-N 2.94Å |
| 354 | M | 94.3 | Very high | 85.2 | Confident | 37 Ų | 37 | 84.5 Ų | 84.5 | 18% | 0.182 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -67.4 | -34.1 | 174.3 | -72 | 169.1 | 46.3 | 0 | 0 | 112.9 | Y169 Y322 D350 V351 | Y169-M354 HydrophobicContact CD1-CE 4.12Å; Y169-M354 HydrophobicContact CE1-CB 3.8Å; Y169-M354 HydrophobicContact CE1-CE 3.95Å; Y169-M354 PolarHBondContact OH-O 3.11Å; Y322-M354 HydrophobicContact CE2-CE 3.91Å; D350-M354 WeakPolarHBondContact O-CG 3.36Å; D350-M354 PolarHBondContact O-N 2.82Å; V351-M354 PolarHBondContact O-N 2.8Å |
| 355 | L | 95.4 | Very high | 83.4 | Confident | 1 Ų | 1 | 87.4 Ų | 87.4 | 1% | 0.005 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -75.3 | -33.6 | 177.2 | -72.6 | 168.8 | 0 | 0 | 0 | 112.5 | L164 Y169 L329 I337 P339 V351 T352 L357 M358 C359 | L164-L355 HydrophobicContact CD2-CD1 4.44Å; L164-L355 HydrophobicContact CD2-CD2 3.68Å; Y169-L355 HydrophobicContact CD1-CD2 3.75Å; Y169-L355 HydrophobicContact CD1-CG 3.92Å; Y169-L355 HydrophobicContact CD2-CD2 4.32Å; Y169-L355 HydrophobicContact CE1-CD2 3.35Å; Y169-L355 HydrophobicContact CE1-CG 3.56Å; Y169-L355 HydrophobicContact CE2-CD2 3.99Å; Y169-L355 HydrophobicContact CG-CD2 4.22Å; Y169-L355 VanDerWaalsContact CZ-CD2 3.49Å; L329-L355 HydrophobicContact CD1-CD2 3.69Å; I337-L355 HydrophobicContact CB-CB 4.31Å; I337-L355 HydrophobicContact CG2-CB 4.34Å; I337-L355 HydrophobicContact CG2-CD1 4.14Å; I337-L355 HydrophobicContact CG2-CD2 4.01Å; I337-L355 HydrophobicContact CG2-CG 4.4Å; P339-L355 HydrophobicContact CB-CD1 3.79Å; P339-L355 HydrophobicContact CG-CD1 4.04Å; V351-L355 HydrophobicContact CG1-CD1 3.88Å; V351-L355 HydrophobicContact CG1-CG 4.48Å; V351-L355 WeakPolarHBondContact O-CB 3.46Å; V351-L355 VanDerWaalsContact O-CG 3.3Å; V351-L355 WeakPolarHBondContact O-CG 3.1Å; V351-L355 PolarHBondContact O-N 3.4Å; T352-L355 PolarHBondContact O-N 3.01Å; L355-L357 PolarHBondContact O-N 2.83Å; L355-L357 VanDerWaalsContact O-N 3.12Å; L355-M358 WeakPolarHBondContact O-CA 3.4Å; L355-M358 WeakPolarHBondContact O-CB 3.35Å; L355-M358 PolarHBondContact O-N 3.22Å; L355-C359 PolarHBondContact O-N 2.86Å |
| 356 | R | 93.8 | Very high | 81.3 | Confident | 170 Ų | 170 | 88.2 Ų | 88.2 | 64% | 0.642 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -56.5 | -27.1 | 174.1 | -77.6 | 171.4 | -172.6 | 164.7 | 3.3 | 113.7 | T352 M358 C359 | T352-R356 VanDerWaalsContact O-CG 3.32Å; T352-R356 WeakPolarHBondContact O-CG 3.49Å; T352-R356 PolarHBondContact O-N 3.29Å; R356-M358 PolarHBondContact O-N 2.66Å; R356-C359 WeakPolarHBondContact O-CB 3.46Å; R356-C359 PolarHBondContact O-N 3.1Å |
| 357 | L | 92.9 | Very high | 78.8 | Confident | 147 Ų | 147 | 86 Ų | 86 | 77% | 0.77 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -9.8 | 175 | -58.3 | 177.1 | 0 | 0 | 0 | 113.6 | L355 | L355-L357 PolarHBondContact O-N 2.83Å; L355-L357 VanDerWaalsContact O-N 3.12Å |
| 358 | M | 93.5 | Very high | 76.6 | Confident | 28 Ų | 28 | 93.2 Ų | 93.2 | 14% | 0.138 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -7.4 | 176.1 | -51.5 | -62.6 | -60.1 | 0 | 0 | 112.4 | Y169 K326 L329 S330 I337 L355 R356 | Y169-M358 WeakPolarHBondContact OH-CG 3.49Å; K326-M358 HydrophobicContact CB-CE 4.19Å; K326-M358 HydrophobicContact CD-SD 4.46Å; K326-M358 HydrophobicContact CG-CE 4.06Å; K326-M358 HydrophobicContact CG-SD 4.27Å; K326-M358 WeakPolarHBondContact O-CE 3.4Å; L329-M358 HydrophobicContact CB-CB 4.11Å; L329-M358 HydrophobicContact CB-CE 4.03Å; L329-M358 HydrophobicContact CD1-CB 4.12Å; L329-M358 HydrophobicContact CD1-CG 4.21Å; S330-M358 WeakPolarHBondContact OG-CE 3.36Å; I337-M358 HydrophobicContact CD1-CB 3.8Å; L355-M358 WeakPolarHBondContact O-CA 3.4Å; L355-M358 WeakPolarHBondContact O-CB 3.35Å; L355-M358 PolarHBondContact O-N 3.22Å; R356-M358 PolarHBondContact O-N 2.66Å |
| 359 | C | 93.9 | Very high | 74 | Confident | 28 Ų | 28 | 94.8 Ų | 94.8 | 19% | 0.189 | 51% | 0.508 | C | S | . | . | S | Bend | trans | -65.6 | 151.4 | 170.3 | -75.8 | 0 | 0 | 0 | 0 | 110.4 | P334 V335 L355 R356 N361 | P334-C359 WeakPolarHBondContact O-CA 3.33Å; V335-C359 PolarHBondContact O-SG 2.98Å; L355-C359 PolarHBondContact O-N 2.86Å; R356-C359 WeakPolarHBondContact O-CB 3.46Å; R356-C359 PolarHBondContact O-N 3.1Å; C359-N361 PolarHBondContact O-N 3.49Å |
| 360 | R | 90.8 | Very high | 71.8 | Confident | 83 Ų | 83 | 98.7 Ų | 98.7 | 31% | 0.313 | 51% | 0.512 | S | S | . | . | trans | -62.1 | 127.7 | 166.3 | -161.5 | -173.9 | -53.1 | 158.9 | 9.5 | 108.9 | D158 Q333 P334 Q362 | D158-R360 IonicContact OD1-CZ 3.16Å; D158-R360 IonicContact OD1-NH1 2.7Å; D158-R360 PolarHBondContact OD1-NH1 3.33Å; D158-R360 IonicContact OD1-NH2 2.73Å; D158-R360 PolarHBondContact OD1-NH2 2.92Å; D158-R360 IonicContact OD2-NH1 3.55Å; Q333-R360 VanDerWaalsContact O-CZ 3.28Å; Q333-R360 PolarHBondContact O-NE 2.78Å; Q333-R360 PolarHBondContact O-NH2 3.27Å; P334-R360 PolarHBondContact O-N 2.83Å; R360-Q362 PolarHBondContact O-N 2.81Å | ||
| 361 | N | 70.8 | Confident | 69.5 | Low | 153 Ų | 153 | 103.7 Ų | 103.7 | 82% | 0.818 | 53% | 0.531 | S | S | * | . | trans | -56.1 | 112.6 | 169.1 | -68.9 | -25.2 | 0 | 0 | 0 | 108.7 | C359 | C359-N361 PolarHBondContact O-N 3.49Š| ||
| 362 | Q | 57.6 | Low | 67.2 | Low | 145 Ų | 145 | 108.4 Ų | 108.4 | 68% | 0.678 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 138.4 | 157.6 | -68.1 | -167.4 | -5.2 | 0 | 0 | 107.2 | V335 R360 | V335-Q362 HydrophobicContact CG1-CG 4.26Å; V335-Q362 VanDerWaalsContact CG1-NE2 3.3Å; R360-Q362 PolarHBondContact O-N 2.81Å |
| 363 | P | 49.5 | Very low | 65 | Low | 99 Ų | 99 | 114.5 Ų | 114.5 | 64% | 0.643 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -59 | 145 | 161.3 | 29 | -33.3 | 0 | 0 | 0 | 108.1 | ||
| 364 | D | 44.5 | Very low | 62.6 | Low | 152 Ų | 152 | 111.9 Ų | 111.9 | 81% | 0.813 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 155.9 | 170.7 | -71.1 | -58.7 | 0 | 0 | 0 | 110.8 | A366 | D364-A366 PolarHBondContact O-N 3.46Š|
| 365 | D | 44.6 | Very low | 60.3 | Low | 166 Ų | 166 | 116.8 Ų | 116.8 | 89% | 0.888 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -69.3 | 32.5 | -174.7 | -164 | 25.9 | 0 | 0 | 0 | 114.6 | G367 | D365-G367 PolarHBondContact O-N 2.72Š|
| 366 | A | 41.2 | Very low | 57.7 | Low | 89 Ų | 89 | 124.6 Ų | 124.6 | 74% | 0.736 | 67% | 0.671 | S | S | * | * | trans | -71.2 | 65.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | D364 F368 | D364-A366 PolarHBondContact O-N 3.46Å; A366-F368 PolarHBondContact O-N 3.14Å | ||
| 367 | G | 37.8 | Very low | 55.2 | Low | 47 Ų | 47 | 126 Ų | 126 | 49% | 0.485 | 68% | 0.682 | S | S | . | * | trans | -47.5 | 135.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D365 V369 | D365-G367 PolarHBondContact O-N 2.72Å; G367-V369 VanDerWaalsContact C-N 3.28Å; G367-V369 PolarHBondContact O-N 3.33Å | ||
| 368 | F | 45.1 | Very low | 52.7 | Low | 200 Ų | 200 | 130.5 Ų | 130.5 | 88% | 0.877 | 69% | 0.688 | S | S | * | * | trans | -65.6 | 84.5 | 177.9 | -86.6 | -92.7 | 0 | 0 | 0 | 111 | A366 Y370 | A366-F368 PolarHBondContact O-N 3.14Å; F368-Y370 VanDerWaalsContact C-N 3.32Å; F368-Y370 PolarHBondContact O-N 3.26Å | ||
| 369 | V | 39.7 | Very low | 49.8 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 74% | 0.739 | 72% | 0.72 | S | S | * | * | trans | -63.3 | 95.4 | 169.9 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | G367 K371 | G367-V369 VanDerWaalsContact C-N 3.28Å; G367-V369 PolarHBondContact O-N 3.33Å; V369-K371 VanDerWaalsContact C-N 3.29Å; V369-K371 HydrophobicContact CG1-CG 4.49Å; V369-K371 PolarHBondContact O-N 3.43Å | ||
| 370 | Y | 46 | Very low | 47.2 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | -61.9 | 92.5 | 171.8 | -178.7 | -99.4 | 0 | 0 | 0 | 108.9 | F368 P372 | F368-Y370 VanDerWaalsContact C-N 3.32Å; F368-Y370 PolarHBondContact O-N 3.26Å; Y370-P372 HydrophobicContact CE1-CB 4.1Å; Y370-P372 WeakPolarHBondContact O-CD 3.46Å | ||
| 371 | K | 46.3 | Very low | 44.5 | Very low | 173 Ų | 173 | 145 Ų | 145 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -69.3 | 109.4 | 167.1 | -72.2 | 178.6 | 179.5 | 172.7 | 0 | 106.4 | V369 L373 | V369-K371 VanDerWaalsContact C-N 3.29Å; V369-K371 HydrophobicContact CG1-CG 4.49Å; V369-K371 PolarHBondContact O-N 3.43Å; K371-L373 PolarHBondContact O-N 3.01Å | ||
| 372 | P | 45.2 | Very low | 42.7 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 129.6 | -179 | 25.1 | -33.9 | 0 | 0 | 0 | 108.9 | Y370 G374 | Y370-P372 HydrophobicContact CE1-CB 4.1Å; Y370-P372 WeakPolarHBondContact O-CD 3.46Å; P372-G374 PolarHBondContact O-N 3.21Å |
| 373 | L | 47.6 | Very low | 41.7 | Very low | 159 Ų | 159 | 150.8 Ų | 150.8 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 117.4 | 176.8 | -72.5 | 169.2 | 0 | 0 | 0 | 108.7 | K371 V375 | K371-L373 PolarHBondContact O-N 3.01Å; L373-V375 PolarHBondContact O-N 3.36Å |
| 374 | G | 43.9 | Very low | 41 | Very low | 69 Ų | 69 | 152.1 Ų | 152.1 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 136.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P372 L376 | P372-G374 PolarHBondContact O-N 3.21Å; G374-L376 PolarHBondContact O-N 3.3Å; G374-L376 VanDerWaalsContact O-N 3.13Å |
| 375 | V | 47.3 | Very low | 40.5 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -45.9 | 119.9 | -173.2 | -177.5 | 0 | 0 | 0 | 0 | 111 | L373 K377 | L373-V375 PolarHBondContact O-N 3.36Å; V375-K377 PolarHBondContact O-N 3.21Å | ||
| 376 | L | 39.3 | Very low | 40 | Very low | 164 Ų | 164 | 148 Ų | 148 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -57.7 | 101.8 | -175.9 | -123.5 | 136.6 | 0 | 0 | 0 | 110 | G374 R378 | G374-L376 PolarHBondContact O-N 3.3Å; G374-L376 VanDerWaalsContact O-N 3.13Å; L376-R378 PolarHBondContact O-N 2.91Å | ||
| 377 | K | 40.9 | Very low | 39.5 | Very low | 199 Ų | 199 | 151.2 Ų | 151.2 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | -62.3 | 101.3 | 174.3 | -84.9 | -174.2 | 174.9 | 177.7 | 0 | 108.4 | V375 S379 | V375-K377 PolarHBondContact O-N 3.21Å; K377-S379 PolarHBondContact O-N 2.93Å | ||
| 378 | R | 40.8 | Very low | 39.4 | Very low | 242 Ų | 242 | 153.4 Ų | 153.4 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | trans | -54.1 | 108.4 | 168.1 | -74.1 | -177.3 | 174.6 | 173.3 | -1.6 | 108.6 | L376 R380 | L376-R378 PolarHBondContact O-N 2.91Å; R378-R380 PolarHBondContact O-N 2.9Å; R378-R380 VanDerWaalsContact O-N 3.13Å | ||
| 379 | S | 34 | Very low | 38.8 | Very low | 114 Ų | 114 | 149 Ų | 149 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -61.9 | 113.1 | 169.9 | 36.7 | 0 | 0 | 0 | 0 | 108.2 | K377 A381 | K377-S379 PolarHBondContact O-N 2.93Å; S379-A381 PolarHBondContact O-N 3.23Å | ||
| 380 | R | 37.8 | Very low | 38.5 | Very low | 235 Ų | 235 | 147.7 Ų | 147.7 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | -68 | 97 | 176.7 | 179.7 | -178.1 | 179.8 | 176.5 | 0.4 | 108.4 | R378 Q382 | R378-R380 PolarHBondContact O-N 2.9Å; R378-R380 VanDerWaalsContact O-N 3.13Å; R380-Q382 PolarHBondContact O-N 3.16Å; R380-Q382 VanDerWaalsContact O-N 3.09Å | ||
| 381 | A | 34.6 | Very low | 38 | Very low | 94 Ų | 94 | 145.4 Ų | 145.4 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 116.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | S379 | S379-A381 PolarHBondContact O-N 3.23Š|
| 382 | Q | 33.9 | Very low | 37.6 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 133.6 | 165.1 | -72 | 179.9 | -28.4 | 0 | 0 | 107.6 | R380 P384 | R380-Q382 PolarHBondContact O-N 3.16Å; R380-Q382 VanDerWaalsContact O-N 3.09Å; Q382-P384 WeakPolarHBondContact O-CD 3.29Å |
| 383 | R | 35.1 | Very low | 37.3 | Very low | 240 Ų | 240 | 147.8 Ų | 147.8 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 126 | 165.5 | -68.3 | 179.5 | 178 | 166.7 | -3.3 | 108.2 | ||
| 384 | P | 35.1 | Very low | 36.8 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 157.6 | 146.6 | -9.4 | 27.3 | 0 | 0 | 0 | 109.2 | Q382 | Q382-P384 WeakPolarHBondContact O-CD 3.29Š|
| 385 | S | 33.7 | Very low | 36.3 | Very low | 89 Ų | 89 | 151.2 Ų | 151.2 | 62% | 0.622 | 79% | 0.788 | S | S | * | * | trans | -107.3 | 156.1 | 168.4 | 61.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 386 | D | 34 | Very low | 35.7 | Very low | 142 Ų | 142 | 150.7 Ų | 150.7 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | 68.9 | 145 | 161.1 | -33 | -49.1 | 0 | 0 | 0 | 115.3 | ||||
| 387 | D | 32 | Very low | 35.5 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | cis | -156.3 | 173.1 | -2.4 | -150.9 | -15 | 0 | 0 | 0 | 111.5 | ||||
| 388 | S | 35 | Very low | 35.2 | Very low | 93 Ų | 93 | 144.9 Ų | 144.9 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | 68 | 106.3 | 154.2 | -150.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 389 | S | 32.6 | Very low | 34.8 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | 60.3 | 141.4 | 126.8 | 69.4 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 390 | S | 33.2 | Very low | 35 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | trans | 103.6 | 97.3 | 146.8 | -154.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 391 | D | 36.4 | Very low | 34.9 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | 59.2 | 126.1 | 121.3 | -38.1 | -40.3 | 0 | 0 | 0 | 123.4 | |||||
| 392 | D | 37.6 | Very low | 35.5 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | trans | 52.4 | 136.9 | 139.8 | -59.6 | -22.7 | 0 | 0 | 0 | 124.7 | ||||
| 393 | E | 37.9 | Very low | 35.3 | Very low | 174 Ų | 174 | 133.8 Ų | 133.8 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | 67.9 | 161.5 | 145.3 | -82.2 | -167.9 | -168.4 | 0 | 0 | 118.7 | ||||
| 394 | L | 37.5 | Very low | 35.2 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 65% | 0.654 | 74% | 0.739 | S | S | * | * | cis | -164.9 | 144.6 | -18.8 | 179.3 | 72.3 | 0 | 0 | 0 | 109 | ||||
| 395 | F | 34.7 | Very low | 35.1 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 76% | 0.763 | 74% | 0.739 | S | S | * | * | trans | 60.5 | 119.3 | 159 | -90 | -128.3 | 0 | 0 | 0 | 123.2 | ||||
| 396 | D | 34.6 | Very low | 35 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | 79 | 146.1 | 108.9 | -151.2 | 0.4 | 0 | 0 | 0 | 123 | |||||
| 397 | S | 34 | Very low | 34.8 | Very low | 85 Ų | 85 | 140 Ų | 140 | 59% | 0.594 | 75% | 0.746 | S | S | * | * | trans | 73.5 | 121.4 | 151.7 | -77.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 398 | L | 35.4 | Very low | 34.6 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 82% | 0.817 | 74% | 0.742 | S | S | * | * | 22.6 | 129.2 | 126.1 | -62.1 | 163.9 | 0 | 0 | 0 | 118.8 | |||||
| 399 | D | 31.9 | Very low | 34.4 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | -164.6 | 179.7 | 91 | -139.1 | -29.4 | 0 | 0 | 0 | 113.3 | |||||
| 400 | L | 38.3 | Very low | 34.3 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 80% | 0.801 | 74% | 0.742 | S | S | * | * | trans | -101.5 | 138.6 | -168 | -73.4 | 166.1 | 0 | 0 | 0 | 116.1 | ||||
| 401 | A | 35.8 | Very low | 34.3 | Very low | 94 Ų | 94 | 144.8 Ų | 144.8 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | trans | 68.7 | -172.2 | 150.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 402 | P | 46 | Very low | 33.8 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | cis | -146.9 | -170.5 | 5.2 | 45.4 | -25.1 | 0 | 0 | 0 | 118.8 | ||||
| 403 | L | 31.2 | Very low | 33.3 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 65% | 0.649 | 73% | 0.733 | S | S | * | * | trans | 82.4 | 105.7 | 151.9 | -66.7 | 172.8 | 0 | 0 | 0 | 123.3 | ||||
| 404 | R | 32.6 | Very low | 32.9 | Very low | 215 Ų | 215 | 143.9 Ų | 143.9 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | 46.9 | 136.1 | 123 | -58.9 | 179.7 | -173.9 | 147 | -4.3 | 121.7 | |||||
| 405 | K | 32.7 | Very low | 32.6 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | -179.8 | 131.8 | 102.1 | -97.4 | 160.5 | -174.3 | 170.7 | 0 | 115.6 | |||||
| 406 | K | 31.8 | Very low | 32.4 | Very low | 187 Ų | 187 | 144.3 Ų | 144.3 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | 48.4 | 154.6 | 130.3 | -69.6 | -157.6 | 172.4 | -168.4 | 0 | 122.5 | ||||
| 407 | L | 30.7 | Very low | 31.8 | Very low | 134 Ų | 134 | 144.8 Ų | 144.8 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | cis | -178.8 | 177.3 | -24.8 | -148.5 | 142.2 | 0 | 0 | 0 | 107.8 | ||||
| 408 | I | 27.6 | Very low | 32 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | 86.2 | 139.3 | 162.4 | -65.5 | 170.3 | 0 | 0 | 0 | 115.4 | ||||
| 409 | L | 29.2 | Very low | 31.6 | Very low | 140 Ų | 140 | 145.4 Ų | 145.4 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | cis | 174 | 146.7 | -14.1 | -171 | 78.8 | 0 | 0 | 0 | 106 | ||||
| 410 | N | 31.9 | Very low | 31.3 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | cis | -145.1 | -151.7 | -7 | -118.6 | 10.8 | 0 | 0 | 0 | 105.9 | ||||
| 411 | Q | 31.7 | Very low | 30.8 | Very low | 142 Ų | 142 | 146.7 Ų | 146.7 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | cis | -163.6 | -177.9 | 0.2 | -138 | 158.7 | -84 | 0 | 0 | 107.2 | ||||
| 412 | E | 26.2 | Very low | 30.2 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | cis | -127.5 | 174.3 | 6.2 | -75.7 | -110.1 | 82.8 | 0 | 0 | 110.9 | ||||
| 413 | T | 28 | Very low | 29.2 | Very low | 103 Ų | 103 | 148.3 Ų | 148.3 | 63% | 0.632 | 76% | 0.761 | S | S | * | * | cis | 92.3 | 149.7 | 30.7 | -10.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 414 | H | 30.1 | Very low | 29 | Very low | 184 Ų | 184 | 150.2 Ų | 150.2 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | trans | -161.9 | 170.8 | -153 | -109.4 | -88.6 | 0 | 0 | 0 | 114.4 | ||||
| 415 | S | 29.7 | Very low | 29 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | 81.7 | 179.4 | 144.2 | 73.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 416 | E | 30.5 | Very low | 28.7 | Very low | 190 Ų | 190 | 143 Ų | 143 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -122.2 | -166.8 | -148.5 | -50.9 | 174.8 | 118.4 | 0 | 0 | 115.9 | ||||
| 417 | T | 23.4 | Very low | 28.4 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | trans | -143.8 | 162.4 | -179.1 | 53.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 418 | P | 37.8 | Very low | 28.1 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | -131.7 | -165 | -160.5 | 35.4 | -13.3 | 0 | 0 | 0 | 117.9 | ||||
| 419 | V | 26.8 | Very low | 28 | Very low | 137 Ų | 137 | 136 Ų | 136 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | 97.1 | 144.7 | 161.4 | -179.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 420 | E | 25.9 | Very low | 27.6 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 61% | 0.612 | 77% | 0.774 | S | S | * | * | cis | -174.6 | 149.4 | -33.7 | -175.7 | 169.4 | -150.7 | 0 | 0 | 113.8 | ||||
| 421 | R | 27.2 | Very low | 27.7 | Very low | 203 Ų | 203 | 136.3 Ų | 136.3 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | trans | 62.2 | 142.5 | 155.6 | -84.1 | 168.4 | -141 | 174.4 | 15.5 | 125 | ||||
| 422 | T | 23.9 | Very low | 27.3 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | 176.8 | 171.1 | 120.6 | -66.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 423 | A | 23.7 | Very low | 27.3 | Very low | 86 Ų | 86 | 138.1 Ų | 138.1 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -143.6 | 158.3 | -159.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 424 | L | 27.8 | Very low | 27.3 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | 44.1 | 141.8 | 150.1 | -69.2 | 176.1 | 0 | 0 | 0 | 123.2 | ||||
| 425 | P | 32.6 | Very low | 27.1 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | -159.3 | 141.3 | 85.1 | 39.9 | -18.2 | 0 | 0 | 0 | 122 | |||||
| 426 | V | 25.2 | Very low | 26.8 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | 65.6 | 133.3 | 127.7 | -178.8 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 427 | A | 26.1 | Very low | 26.5 | Very low | 87 Ų | 87 | 133.5 Ų | 133.5 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | trans | 75.4 | 154.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 428 | T | 24 | Very low | 26.6 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | cis | -142.1 | -153.5 | 13.1 | -29.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 429 | S | 26.3 | Very low | 26.2 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | trans | -136.7 | 148.4 | -150.3 | 60.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 430 | L | 21.7 | Very low | 26.1 | Very low | 165 Ų | 165 | 131.1 Ų | 131.1 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | 65 | 165.6 | 147.7 | -73.5 | 171.2 | 0 | 0 | 0 | 120.1 | ||||
| 431 | P | 32.5 | Very low | 26.2 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 68% | 0.675 | 80% | 0.797 | S | S | * | * | cis | -133.7 | 174 | -17.2 | 38.1 | -20.1 | 0 | 0 | 0 | 116.9 | ||||
| 432 | L | 24.7 | Very low | 26.2 | Very low | 159 Ų | 159 | 128.6 Ų | 128.6 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | 16.8 | 138.4 | 148.1 | -71 | 163.6 | 0 | 0 | 0 | 123.2 | ||||
| 433 | L | 24.9 | Very low | 26.4 | Very low | 172 Ų | 172 | 129.4 Ų | 129.4 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | -158.7 | 164 | 126 | -115.9 | 170.5 | 0 | 0 | 0 | 112.8 | |||||
| 434 | V | 28.1 | Very low | 26.6 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -126.3 | 142.9 | -178.5 | 175.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 435 | S | 26.1 | Very low | 26.8 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 88% | 0.881 | 78% | 0.78 | S | S | * | * | trans | -144.7 | 149.7 | 166.7 | 54.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 436 | D | 23.1 | Very low | 26.9 | Very low | 146 Ų | 146 | 126.5 Ų | 126.5 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | -130.3 | 160.3 | -158.6 | -159.9 | -6 | 0 | 0 | 0 | 112 | ||||
| 437 | S | 25.9 | Very low | 27.5 | Very low | 102 Ų | 102 | 123.2 Ų | 123.2 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | trans | 64.3 | 154.2 | 175.2 | 78.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 438 | T | 25.5 | Very low | 28.4 | Very low | 134 Ų | 134 | 120.4 Ų | 120.4 | 82% | 0.822 | 71% | 0.708 | S | S | * | * | cis | -140.5 | 160.7 | 34 | 48.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 439 | S | 27.8 | Very low | 29.6 | Very low | 121 Ų | 121 | 115.5 Ų | 115.5 | 85% | 0.846 | 68% | 0.675 | S | S | * | * | trans | -92 | 111.8 | -178.4 | 55.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 440 | A | 25 | Very low | 30.1 | Very low | 90 Ų | 90 | 113.5 Ų | 113.5 | 74% | 0.744 | 66% | 0.661 | S | S | * | * | trans | -83.4 | 125.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q442 | A440-Q442 PolarHBondContact O-N 3.29Š| ||
| 441 | A | 29.2 | Very low | 31.2 | Very low | 101 Ų | 101 | 107.1 Ų | 107.1 | 84% | 0.835 | 63% | 0.628 | S | S | * | * | trans | -77.7 | 110.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 442 | Q | 26.6 | Very low | 31.5 | Very low | 179 Ų | 179 | 103.6 Ų | 103.6 | 84% | 0.836 | 61% | 0.611 | S | S | * | * | trans | -97.5 | 121.8 | 172 | -69.6 | -177.6 | -47 | 0 | 0 | 109.7 | A440 Y444 | A440-Q442 PolarHBondContact O-N 3.29Å; Q442-Y444 PolarHBondContact O-N 2.99Å | ||
| 443 | N | 27.7 | Very low | 32.2 | Very low | 167 Ų | 167 | 103.8 Ų | 103.8 | 89% | 0.893 | 61% | 0.608 | S | S | * | * | trans | -70.3 | 112.7 | 175 | -70.1 | -19.3 | 0 | 0 | 0 | 109.2 | ||||
| 444 | Y | 28.2 | Very low | 32.9 | Very low | 84 Ų | 84 | 100.8 Ų | 100.8 | 33% | 0.329 | 59% | 0.592 | S | S | . | * | trans | -96.9 | 109.3 | -173.1 | -171.4 | -94.2 | 0 | 0 | 0 | 111 | M292 W293 E296 Q442 D446 | M292-Y444 WeakPolarHBondContact CB-OH 3.35Å; M292-Y444 HydrophobicContact CE-CE1 4.4Å; W293-Y444 PolarHBondContact N-OH 3.28Å; W293-Y444 VanDerWaalsContact N-OH 3.14Å; E296-Y444 VanDerWaalsContact OE1-CE2 3.27Å; E296-Y444 WeakPolarHBondContact OE1-CE2 3.49Å; E296-Y444 VanDerWaalsContact OE1-CZ 3.3Å; E296-Y444 PolarHBondContact OE1-OH 3.37Å; Q442-Y444 PolarHBondContact O-N 2.99Å; Y444-D446 HydrophobicContact CD1-CB 4Å; Y444-D446 HydrophobicContact CE1-CB 3.99Å; Y444-D446 WeakPolarHBondContact CE1-OD1 3.35Å; Y444-D446 PolarHBondContact O-N 3.03Å | ||
| 445 | F | 31.2 | Very low | 33.5 | Very low | 190 Ų | 190 | 103.3 Ų | 103.3 | 83% | 0.833 | 60% | 0.596 | S | S | * | * | trans | -82.6 | 104.3 | 177.2 | -136.8 | -92.1 | 0 | 0 | 0 | 109.6 | C447 | F445-C447 PolarHBondContact O-N 3.21Š| ||
| 446 | D | 35.1 | Very low | 33.9 | Very low | 32 Ų | 32 | 101.2 Ų | 101.2 | 17% | 0.171 | 58% | 0.575 | C | S | . | * | trans | -92 | 88.3 | -170.9 | -157.7 | 24.8 | 0 | 0 | 0 | 109.8 | K288 R313 Y444 T448 | K288-D446 VanDerWaalsContact CE-OD2 3.32Å; K288-D446 WeakPolarHBondContact CE-OD2 3.31Å; K288-D446 IonicContact NZ-OD2 2.94Å; K288-D446 PolarHBondContact NZ-OD2 2.84Å; R313-D446 IonicContact CZ-OD2 2.98Å; R313-D446 IonicContact NH2-OD1 3.69Å; R313-D446 PolarHBondContact NH2-OD1 2.92Å; R313-D446 IonicContact NH2-OD2 3.37Å; R313-D446 PolarHBondContact NH2-OD2 3.01Å; Y444-D446 HydrophobicContact CD1-CB 4Å; Y444-D446 HydrophobicContact CE1-CB 3.99Å; Y444-D446 WeakPolarHBondContact CE1-OD1 3.35Å; Y444-D446 PolarHBondContact O-N 3.03Å; D446-T448 PolarHBondContact O-N 3.29Å | ||
| 447 | C | 37.8 | Very low | 34.5 | Very low | 71 Ų | 71 | 100.8 Ų | 100.8 | 48% | 0.48 | 57% | 0.573 | S | S | . | * | trans | -63.9 | 82.2 | 170.4 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | M292 I344 F445 | M292-C447 HydrophobicContact CE-CB 3.84Å; M292-C447 HydrophobicContact SD-CB 3.96Å; I344-C447 HydrophobicContact CD1-CB 3.79Å; F445-C447 PolarHBondContact O-N 3.21Å | ||
| 448 | T | 44.4 | Very low | 35.1 | Very low | 28 Ų | 28 | 104 Ų | 104 | 17% | 0.172 | 58% | 0.576 | C | S | . | * | trans | -112 | 136.4 | 165 | 55.9 | 0 | 0 | 0 | 0 | 108.5 | K207 D446 S450 | K207-T448 WeakPolarHBondContact CB-OG1 3.29Å; D446-T448 PolarHBondContact O-N 3.29Å; T448-S450 PolarHBondContact O-N 3.01Å | ||
| 449 | E | 49.9 | Very low | 35.7 | Very low | 38 Ų | 38 | 106.6 Ų | 106.6 | 18% | 0.178 | 58% | 0.579 | C | S | . | * | trans | -54.9 | 112.2 | 175.8 | -67 | 60.2 | -127.1 | 0 | 0 | 108.9 | H35 K207 A208 | H35-E449 VanDerWaalsContact CE1-CG 3.46Å; H35-E449 WeakPolarHBondContact CE1-CG 3.3Å; K207-E449 CarbonylContact C-O 3.58Å; A208-E449 WeakPolarHBondContact CA-O 3.45Å; A208-E449 HydrophobicContact CB-CB 4.39Å; A208-E449 PolarHBondContact N-O 3.24Å; A208-E449 VanDerWaalsContact N-O 3.09Å | ||
| 450 | S | 36.4 | Very low | 36 | Very low | 50 Ų | 50 | 109.6 Ų | 109.6 | 35% | 0.35 | 58% | 0.58 | S | S | . | * | trans | -102.2 | 107.5 | 176.5 | -166.2 | 0 | 0 | 0 | 0 | 109 | T448 G452 | T448-S450 PolarHBondContact O-N 3.01Å; S450-G452 PolarHBondContact O-N 2.94Å | ||
| 451 | N | 45.2 | Very low | 36.5 | Very low | 31 Ų | 31 | 114.6 Ų | 114.6 | 17% | 0.166 | 59% | 0.588 | C | S | . | * | trans | -81.6 | 51.6 | 168.7 | -67.1 | -19.8 | 0 | 0 | 0 | 109.4 | K36 A209 | K36-N451 WeakPolarHBondContact CB-OD1 3.37Å; K36-N451 PolarHBondContact N-OD1 2.88Å; A209-N451 HydrophobicContact CB-CB 3.58Å; A209-N451 WeakPolarHBondContact CB-ND2 3.45Å; A209-N451 PolarHBondContact N-ND2 3.32Å | ||
| 452 | G | 38.1 | Very low | 36.7 | Very low | 31 Ų | 31 | 118.5 Ų | 118.5 | 32% | 0.32 | 59% | 0.589 | S | S | . | * | trans | -70.2 | 136.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | S450 D454 | S450-G452 PolarHBondContact O-N 2.94Å; G452-D454 PolarHBondContact O-N 3.3Å; G452-D454 VanDerWaalsContact O-N 3.08Å | ||
| 453 | E | 40.2 | Very low | 37 | Very low | 163 Ų | 163 | 119.3 Ų | 119.3 | 76% | 0.762 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -77.2 | 90.9 | 171.8 | -62.9 | -169.2 | 141.4 | 0 | 0 | 109.1 | ||
| 454 | D | 38.7 | Very low | 37.1 | Very low | 108 Ų | 108 | 119.8 Ų | 119.8 | 58% | 0.578 | 59% | 0.59 | S | S | * | * | 170.6 | -163.5 | 117.7 | -82.9 | -27.5 | 0 | 0 | 0 | 110.6 | K36 K74 G452 | K36-D454 PolarHBondContact NZ-O 2.87Å; K74-D454 IonicContact NZ-OD1 2.66Å; K74-D454 PolarHBondContact NZ-OD1 3.46Å; G452-D454 PolarHBondContact O-N 3.3Å; G452-D454 VanDerWaalsContact O-N 3.08Å | |||
| 455 | E | 41.6 | Very low | 37.2 | Very low | 177 Ų | 177 | 119.3 Ų | 119.3 | 83% | 0.827 | 61% | 0.61 | S | S | * | * | trans | 49 | 88.3 | 175 | -67.9 | 172.2 | -147.8 | 0 | 0 | 114.9 | K36 | K36-E455 PolarHBondContact NZ-O 2.97Å; K36-E455 VanDerWaalsContact NZ-O 3.07Å | ||
| 456 | D | 34.4 | Very low | 37.4 | Very low | 82 Ų | 82 | 119.7 Ų | 119.7 | 44% | 0.439 | 61% | 0.612 | S | S | . | * | trans | -149.8 | 54.8 | 153 | -80.7 | -34.9 | 0 | 0 | 0 | 106.2 | K36 K43 | K36-D456 VanDerWaalsContact CE-CG 3.4Å; K36-D456 WeakPolarHBondContact CE-OD2 3.38Å; K36-D456 IonicContact NZ-OD1 2.79Å; K36-D456 IonicContact NZ-OD2 3.82Å; K36-D456 PolarHBondContact NZ-OD2 2.73Å; K43-D456 WeakPolarHBondContact CE-O 3.49Å; K43-D456 PolarHBondContact NZ-O 3.46Å | ||
| 457 | D | 36.6 | Very low | 37.1 | Very low | 137 Ų | 137 | 121.7 Ų | 121.7 | 73% | 0.733 | 64% | 0.639 | S | S | * | * | trans | -117.1 | 90.4 | 168.8 | -63.7 | -36.6 | 0 | 0 | 0 | 105.1 | K43 E459 | K43-D457 IonicContact NZ-OD1 3.94Å; K43-D457 PolarHBondContact NZ-OD1 2.85Å; D457-E459 PolarHBondContact O-N 3.31Å | ||
| 458 | E | 38.5 | Very low | 36.6 | Very low | 170 Ų | 170 | 126 Ų | 126 | 79% | 0.794 | 66% | 0.658 | S | S | * | * | trans | -68.8 | 119.4 | 177.8 | -69.2 | -178.6 | 145.9 | 0 | 0 | 108.5 | E460 | E458-E460 PolarHBondContact O-N 3.39Š| ||
| 459 | E | 36.8 | Very low | 36.2 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 88% | 0.883 | 69% | 0.69 | S | S | * | * | trans | -72.7 | 111.2 | 173.5 | -65.2 | -176.9 | 144.1 | 0 | 0 | 109.3 | D457 E461 | D457-E459 PolarHBondContact O-N 3.31Å; E459-E461 PolarHBondContact O-N 2.87Å | ||
| 460 | E | 35.6 | Very low | 35.4 | Very low | 184 Ų | 184 | 134.7 Ų | 134.7 | 86% | 0.86 | 72% | 0.717 | S | S | * | * | trans | -78 | 110.8 | 164.6 | -70.3 | -174.3 | 160.2 | 0 | 0 | 108.2 | E458 E462 | E458-E460 PolarHBondContact O-N 3.39Å; E460-E462 PolarHBondContact O-N 2.93Å | ||
| 461 | E | 34.6 | Very low | 35.4 | Very low | 194 Ų | 194 | 142 Ų | 142 | 91% | 0.907 | 74% | 0.743 | S | S | * | * | trans | -68.2 | 95.7 | 178.3 | -68.1 | -173.9 | 151.7 | 0 | 0 | 111.4 | E459 | E459-E461 PolarHBondContact O-N 2.87Š| ||
| 462 | E | 32.3 | Very low | 34.7 | Very low | 184 Ų | 184 | 145 Ų | 145 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -81.9 | 129.1 | 161 | -69.2 | -165 | 157 | 0 | 0 | 110.3 | E460 E464 | E460-E462 PolarHBondContact O-N 2.93Å; E462-E464 PolarHBondContact O-N 2.89Å | ||
| 463 | E | 33.1 | Very low | 34.5 | Very low | 195 Ų | 195 | 149.3 Ų | 149.3 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | -65.5 | 117.1 | 179 | -70.2 | -167.6 | 131 | 0 | 0 | 111.9 | G465 | E463-G465 PolarHBondContact O-N 2.82Š| ||
| 464 | E | 31.3 | Very low | 34.5 | Very low | 178 Ų | 178 | 148.1 Ų | 148.1 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -65.9 | 87.1 | 177.7 | -83.9 | -153.3 | 141.5 | 0 | 0 | 113.7 | E462 K466 | E462-E464 PolarHBondContact O-N 2.89Å; E464-K466 PolarHBondContact O-N 2.85Å | ||
| 465 | G | 30 | Very low | 34.4 | Very low | 74 Ų | 74 | 153.8 Ų | 153.8 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | -68.9 | 89.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E463 G467 | E463-G465 PolarHBondContact O-N 2.82Å; G465-G467 PolarHBondContact O-N 2.9Å; G465-G467 VanDerWaalsContact O-N 3.12Å | ||
| 466 | K | 35.3 | Very low | 34.3 | Very low | 198 Ų | 198 | 152.1 Ų | 152.1 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -46.7 | 113.8 | -179.5 | -73.8 | 177.6 | 176 | 170.5 | 0 | 113.8 | E464 | E464-K466 PolarHBondContact O-N 2.85Š| ||
| 467 | G | 28.3 | Very low | 34.7 | Very low | 73 Ų | 73 | 153.9 Ų | 153.9 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -154.5 | 87.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G465 | G465-G467 PolarHBondContact O-N 2.9Å; G465-G467 VanDerWaalsContact O-N 3.12Å | ||
| 468 | D | 28.2 | Very low | 35 | Very low | 163 Ų | 163 | 155.5 Ų | 155.5 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | 13.6 | 145.2 | 163.4 | -149.7 | 5.8 | 0 | 0 | 0 | 122.8 | S470 | D468-S470 PolarHBondContact O-N 3.32Š| ||
| 469 | V | 35.8 | Very low | 34.8 | Very low | 141 Ų | 141 | 155.9 Ų | 155.9 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -85.3 | 109.7 | -171.4 | 179 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 470 | S | 32.4 | Very low | 34.6 | Very low | 106 Ų | 106 | 153.1 Ų | 153.1 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -150 | 128.5 | 158.7 | 70.3 | 0 | 0 | 0 | 0 | 115.7 | D468 | D468-S470 PolarHBondContact O-N 3.32Š| ||
| 471 | K | 35.9 | Very low | 34.3 | Very low | 203 Ų | 203 | 149 Ų | 149 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | 31.7 | 116.9 | 156.8 | -63.8 | 176.6 | -179 | 173.3 | 0 | 119.3 | ||||
| 472 | A | 31.6 | Very low | 34.2 | Very low | 95 Ų | 95 | 148.6 Ų | 148.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -59.1 | 142.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 473 | P | 33.9 | Very low | 34.5 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -74.5 | 167.4 | 179.9 | 32.4 | -36.7 | 0 | 0 | 0 | 112.2 | ||||
| 474 | K | 39.4 | Very low | 34.2 | Very low | 139 Ų | 139 | 143.4 Ų | 143.4 | 60% | 0.604 | 78% | 0.783 | S | S | * | * | trans | -114.5 | 160.8 | 177.4 | -74.3 | -161.8 | -174.6 | -175.1 | 0 | 112.6 | E476 | K474-E476 HydrophobicContact CB-CG 4.38Å; K474-E476 WeakPolarHBondContact CD-OE1 3.49Å; K474-E476 IonicContact NZ-OE1 2.81Å; K474-E476 PolarHBondContact NZ-OE1 2.85Å; K474-E476 PolarHBondContact O-N 2.73Å | ||
| 475 | W | 35.9 | Very low | 34.1 | Very low | 227 Ų | 227 | 140.4 Ų | 140.4 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -6.3 | 174.4 | -174.8 | -106.5 | 0 | 0 | 0 | 114.9 | ||
| 476 | E | 40.8 | Very low | 34 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 66% | 0.659 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -20.4 | -171.6 | -55.6 | 179.1 | -112.6 | 0 | 0 | 112.3 | K474 F478 | K474-E476 HydrophobicContact CB-CG 4.38Å; K474-E476 WeakPolarHBondContact CD-OE1 3.49Å; K474-E476 IonicContact NZ-OE1 2.81Å; K474-E476 PolarHBondContact NZ-OE1 2.85Å; K474-E476 PolarHBondContact O-N 2.73Å; E476-F478 PolarHBondContact O-N 3.4Å |
| 477 | D | 43.4 | Very low | 33.7 | Very low | 120 Ų | 120 | 140 Ų | 140 | 64% | 0.642 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 0.6 | -169.4 | -58.8 | -56.1 | 0 | 0 | 0 | 115.1 | ||
| 478 | F | 41.5 | Very low | 33.9 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 75% | 0.75 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -0.9 | -167.3 | -115.8 | -86.8 | 0 | 0 | 0 | 116.5 | E476 | E476-F478 PolarHBondContact O-N 3.4Š|
| 479 | F | 35.7 | Very low | 33.9 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | -138.3 | 78.2 | -176 | -70.7 | -75.9 | 0 | 0 | 0 | 113.4 | ||||
| 480 | T | 32.5 | Very low | 33.7 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | trans | -117.5 | 109.6 | 168.6 | -44.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 481 | A | 29.3 | Very low | 33.5 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -109.3 | 122.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 482 | E | 31.1 | Very low | 33.1 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -110 | 154.3 | 167.7 | -68.5 | -157.5 | 142.4 | 0 | 0 | 111.2 | ||||
| 483 | P | 38.9 | Very low | 33 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | trans | -122.9 | 178.3 | -159.1 | 38.4 | -21.9 | 0 | 0 | 0 | 115.6 | ||||
| 484 | L | 27.6 | Very low | 32.6 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | trans | 78.9 | 150.5 | 171.5 | -46.5 | 175.6 | 0 | 0 | 0 | 114.8 | ||||
| 485 | S | 28.3 | Very low | 31.9 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | cis | -140.1 | 174.4 | 11.9 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 486 | D | 27.9 | Very low | 31.4 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | trans | -75 | 152.8 | -168.7 | -48.8 | -98.4 | 0 | 0 | 0 | 117 | ||||
| 487 | S | 29.4 | Very low | 30.7 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | -161.4 | 107.5 | 128.6 | -163.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 488 | Q | 32.5 | Very low | 29.9 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | 37.5 | 145 | 140.6 | -56 | -169.6 | 0.2 | 0 | 0 | 124.8 | ||||
| 489 | N | 28.7 | Very low | 29.1 | Very low | 134 Ų | 134 | 132.6 Ų | 132.6 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | trans | 85.4 | 84.6 | 144.3 | -78.4 | 0.3 | 0 | 0 | 0 | 122.6 | ||||
| 490 | S | 29.9 | Very low | 28.7 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | 76.5 | 135.4 | 102.4 | 73.3 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 491 | Q | 28.6 | Very low | 28.5 | Very low | 190 Ų | 190 | 131.6 Ų | 131.6 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | 87.8 | 126.8 | 152.4 | -73.1 | 180 | -2.3 | 0 | 0 | 120.3 | ||||
| 492 | S | 27.7 | Very low | 28.6 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | -72.7 | 157.7 | 173.1 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 493 | H | 29.1 | Very low | 28.9 | Very low | 199 Ų | 199 | 129.8 Ų | 129.8 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -154.5 | -174.2 | 135.4 | -102.1 | -59.7 | 0 | 0 | 0 | 111.4 | ||||
| 494 | S | 26.6 | Very low | 28.5 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -138.5 | 171.6 | -158.7 | -170.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 495 | C | 24.1 | Very low | 28.5 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | trans | 87.9 | 125.2 | 159.9 | -62.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 496 | C | 25 | Very low | 28.5 | Very low | 112 Ų | 112 | 134 Ų | 134 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | 61.9 | 113.8 | 129.6 | -58.1 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 497 | S | 27.6 | Very low | 28.5 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | 43.3 | 115.2 | 117.4 | -45.2 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 498 | T | 26.1 | Very low | 28.4 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 91% | 0.908 | 76% | 0.763 | S | S | * | * | -179.5 | 174.6 | 112.1 | 26.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 499 | A | 24.5 | Very low | 28.2 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | trans | -59.5 | 167 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 500 | S | 27.9 | Very low | 28.3 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | 176.8 | 166.5 | 56.1 | 56.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 501 | Q | 28.5 | Very low | 28.3 | Very low | 187 Ų | 187 | 133.9 Ų | 133.9 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | 74.2 | 144.4 | 153.8 | -75.8 | 178.7 | 1.2 | 0 | 0 | 121.9 | ||||
| 502 | T | 30.9 | Very low | 28.5 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | trans | -86.8 | 174.1 | 170.4 | 49.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 503 | P | 37.3 | Very low | 28.8 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | -141.6 | 161.9 | 106.9 | 38.8 | -27.2 | 0 | 0 | 0 | 115.3 | |||||
| 504 | D | 30.6 | Very low | 28.9 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | -81.1 | 160.7 | 176.9 | -51.9 | -88.4 | 0 | 0 | 0 | 114.4 | ||||
| 505 | L | 27.6 | Very low | 29 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | 166.3 | 135.3 | 151.9 | -92.1 | 157.8 | 0 | 0 | 0 | 107 | ||||
| 506 | F | 28.5 | Very low | 29.2 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | cis | -141 | 168.1 | 27.6 | -87.9 | -91.5 | 0 | 0 | 0 | 113.8 | ||||
| 507 | S | 26.6 | Very low | 29.3 | Very low | 90 Ų | 90 | 138.5 Ų | 138.5 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | trans | -76.2 | 171.9 | 159.1 | 54 | 0 | 0 | 0 | 0 | 111 | ||||
| 508 | D | 28.3 | Very low | 29.3 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | cis | -163.8 | 144.3 | 44.6 | -111.3 | -64.7 | 0 | 0 | 0 | 114.8 | ||||
| 509 | S | 29.2 | Very low | 29.3 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | 33.9 | 143.9 | 127.2 | -48 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 510 | D | 30.4 | Very low | 29.3 | Very low | 120 Ų | 120 | 141 Ų | 141 | 64% | 0.642 | 76% | 0.764 | S | S | * | * | trans | 85.8 | 102.4 | 137.3 | -102.4 | 23.6 | 0 | 0 | 0 | 122.7 | ||||
| 511 | R | 28.9 | Very low | 29.2 | Very low | 217 Ų | 217 | 144.1 Ų | 144.1 | 82% | 0.819 | 77% | 0.772 | S | S | * | * | 137.2 | 141.4 | 114.1 | -79.3 | 163.2 | -161.5 | -121.8 | -12 | 118.5 | |||||
| 512 | I | 33.4 | Very low | 29 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | -93.6 | 150.2 | 167.6 | -60.1 | 165.5 | 0 | 0 | 0 | 109.4 | ||||
| 513 | P | 34.6 | Very low | 28.8 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -130.7 | 147.5 | 140.7 | 36.2 | -25.8 | 0 | 0 | 0 | 113.6 | ||||
| 514 | E | 30.6 | Very low | 28.3 | Very low | 176 Ų | 176 | 142 Ų | 142 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -100.8 | 139.4 | 171.8 | -63.7 | -176.5 | 136.9 | 0 | 0 | 112 | ||||
| 515 | N | 28 | Very low | 28.1 | Very low | 144 Ų | 144 | 140 Ų | 140 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | 177.2 | 126.6 | 144.5 | -94 | -23.5 | 0 | 0 | 0 | 107.4 | ||||
| 516 | L | 28.6 | Very low | 28.1 | Very low | 149 Ų | 149 | 139 Ų | 139 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | 69 | 91.2 | 67.4 | -74.1 | 178.4 | 0 | 0 | 0 | 114.6 | |||||
| 517 | D | 28.1 | Very low | 28 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | -161.1 | 125.2 | 123.4 | -94.5 | -27.9 | 0 | 0 | 0 | 106.8 | |||||
| 518 | A | 27.4 | Very low | 28 | Very low | 80 Ų | 80 | 139.8 Ų | 139.8 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | 86.6 | 87.7 | 50.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 519 | F | 25.5 | Very low | 28 | Very low | 218 Ų | 218 | 140.1 Ų | 140.1 | 96% | 0.956 | 79% | 0.787 | S | S | * | * | trans | -132.3 | 128.6 | 153.3 | -99.1 | -80.8 | 0 | 0 | 0 | 110 | ||||
| 520 | S | 24.1 | Very low | 28 | Very low | 99 Ų | 99 | 145.2 Ų | 145.2 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | trans | -148.8 | 136.2 | 176.8 | -171.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 521 | L | 26 | Very low | 27.8 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | trans | -136.7 | 118 | 167.8 | -77.1 | 178.7 | 0 | 0 | 0 | 109.4 | ||||
| 522 | T | 24.6 | Very low | 27.9 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 73% | 0.73 | 81% | 0.805 | S | S | * | * | trans | -118.5 | 122 | 178.6 | 43.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 523 | L | 26.3 | Very low | 27.7 | Very low | 165 Ų | 165 | 141 Ų | 141 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -156.5 | 141 | 158.3 | -82.6 | 110.9 | 0 | 0 | 0 | 107.7 | ||||
| 524 | S | 27.8 | Very low | 27.4 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | cis | -158.2 | 147.8 | -17.8 | -95 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 525 | A | 25.9 | Very low | 27.2 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -90 | 143.3 | 170 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 526 | S | 27 | Very low | 27.2 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -124.3 | 129.6 | 160.9 | 45.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 527 | Q | 26.5 | Very low | 27.1 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -96.2 | 149.6 | -173.3 | -60.2 | 173.8 | 5 | 0 | 0 | 111.3 | ||||
| 528 | S | 27.6 | Very low | 27 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -144 | 119.8 | 142.6 | 51.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 529 | N | 27.7 | Very low | 27.1 | Very low | 137 Ų | 137 | 142 Ų | 142 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | -89.7 | 143.9 | 175.4 | -69.2 | -42.7 | 0 | 0 | 0 | 110.3 | ||||
| 530 | Q | 29.8 | Very low | 27.1 | Very low | 203 Ų | 203 | 139 Ų | 139 | 95% | 0.949 | 80% | 0.797 | S | S | * | * | trans | -156.7 | 157.2 | 136.5 | -114 | 163.3 | 59.3 | 0 | 0 | 111.1 | ||||
| 531 | S | 26.3 | Very low | 27.1 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -136 | 138.4 | -154 | 55.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 532 | S | 30 | Very low | 27.1 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -177.7 | 116.5 | 149.8 | -75.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 533 | Q | 29.6 | Very low | 27.2 | Very low | 178 Ų | 178 | 141.6 Ų | 141.6 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | 78.7 | 139.9 | 67.8 | -75.9 | -166.9 | -22.9 | 0 | 0 | 114.8 | |||||
| 534 | N | 27.3 | Very low | 27.3 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | 79.2 | 127.7 | -172.4 | -48.8 | -26.3 | 0 | 0 | 0 | 113.5 | ||||
| 535 | L | 27.6 | Very low | 27.2 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | 68.6 | 124.3 | 51 | -60.6 | 167.5 | 0 | 0 | 0 | 110.7 | |||||
| 536 | D | 26.8 | Very low | 27.2 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | cis | -143.3 | 175.1 | 20.4 | -83.9 | -50.4 | 0 | 0 | 0 | 114.1 | ||||
| 537 | D | 26.3 | Very low | 27.2 | Very low | 150 Ų | 150 | 150 Ų | 150 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -63.1 | 155.8 | 163.7 | -75.4 | -59.2 | 0 | 0 | 0 | 113.3 | ||||
| 538 | T | 27.8 | Very low | 27.2 | Very low | 124 Ų | 124 | 150 Ų | 150 | 76% | 0.761 | 82% | 0.815 | S | S | * | * | trans | -167.4 | 127.2 | 140.3 | -80.1 | 0 | 0 | 0 | 0 | 111.1 | I540 | T538-I540 HydrophobicContact CG2-CG1 4.11Š| ||
| 539 | L | 27.8 | Very low | 27.2 | Very low | 149 Ų | 149 | 152 Ų | 152 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | trans | -76.6 | 139.8 | 163.2 | -72.1 | 87.7 | 0 | 0 | 0 | 110.2 | ||||
| 540 | I | 26.1 | Very low | 27.5 | Very low | 157 Ų | 157 | 151.1 Ų | 151.1 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | trans | -117.1 | 100.6 | 160.6 | -60.5 | -175.6 | 0 | 0 | 0 | 109.1 | T538 | T538-I540 HydrophobicContact CG2-CG1 4.11Š| ||
| 541 | L | 25.1 | Very low | 27.3 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | trans | -79.1 | 118.4 | 162.3 | -76.7 | 161.2 | 0 | 0 | 0 | 108.3 | Q543 | L541-Q543 PolarHBondContact O-N 2.92Š| ||
| 542 | A | 25.8 | Very low | 27.6 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -87 | 103.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 543 | Q | 26.2 | Very low | 27.7 | Very low | 192 Ų | 192 | 148.4 Ų | 148.4 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | -74.9 | 140.9 | 168.1 | -66.4 | 171.3 | -50.5 | 0 | 0 | 109.4 | L541 | L541-Q543 PolarHBondContact O-N 2.92Š| ||
| 544 | S | 27.5 | Very low | 27.7 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -114.6 | 138.9 | 163.6 | 57.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 545 | E | 26.6 | Very low | 28 | Very low | 199 Ų | 199 | 143.5 Ų | 143.5 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -69.7 | 153.6 | -162.2 | -67.6 | 154 | 126.6 | 0 | 0 | 113.9 | ||||
| 546 | L | 26.2 | Very low | 28.1 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | trans | -113.6 | 115.1 | 178.9 | -160.8 | 89.2 | 0 | 0 | 0 | 108.3 | ||||
| 547 | E | 27.5 | Very low | 28.5 | Very low | 200 Ų | 200 | 142.4 Ų | 142.4 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | trans | -88.1 | 121.1 | 167 | -70.9 | -169 | 128.1 | 0 | 0 | 109.4 | ||||
| 548 | E | 26 | Very low | 28.8 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -91.6 | 140.9 | 170.3 | -64.1 | -171.1 | 137.4 | 0 | 0 | 110.9 | ||||
| 549 | L | 27.1 | Very low | 29.2 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | 179.3 | 157.3 | 144.6 | -100.5 | 171.7 | 0 | 0 | 0 | 109.7 | ||||
| 550 | P | 34.2 | Very low | 29.7 | Very low | 118 Ų | 118 | 145 Ų | 145 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | -114.7 | 170.1 | -92.6 | 40.2 | -32.5 | 0 | 0 | 0 | 114.8 | |||||
| 551 | A | 26.5 | Very low | 30.2 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -84.5 | 136.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 552 | S | 32.4 | Very low | 31.1 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 67% | 0.671 | 81% | 0.813 | S | S | * | * | trans | -170 | 170.6 | 145 | 66.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 553 | Q | 30.4 | Very low | 32.2 | Very low | 168 Ų | 168 | 141 Ų | 141 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | 67.3 | 108.3 | -173.3 | -40.9 | -54.7 | -45.4 | 0 | 0 | 112.6 | ||||
| 554 | A | 29.9 | Very low | 33 | Very low | 91 Ų | 91 | 137.7 Ų | 137.7 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | cis | 80 | 135.3 | 48.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 555 | S | 33.9 | Very low | 33.9 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -54.6 | 132.5 | -169 | 48.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 556 | S | 29.7 | Very low | 35.3 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -98.2 | 111.9 | 161.7 | 57.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 557 | D | 34.9 | Very low | 37 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -84.7 | -179.9 | 168.6 | -141.8 | -35.9 | 0 | 0 | 0 | 110.5 | D559 | D557-D559 PolarHBondContact O-N 3.47Š| ||
| 558 | F | 32.5 | Very low | 38.6 | Very low | 193 Ų | 193 | 132.7 Ų | 132.7 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -62.7 | 113.4 | -176.6 | -83.8 | -103.6 | 0 | 0 | 0 | 114.3 | V560 | F558-V560 PolarHBondContact O-N 3Š| ||
| 559 | D | 37 | Very low | 40.4 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | trans | -79.3 | 107.2 | 163.9 | -98.1 | -37.9 | 0 | 0 | 0 | 110.9 | D557 | D557-D559 PolarHBondContact O-N 3.47Š| ||
| 560 | V | 38.5 | Very low | 42.6 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 128.7 | 171.9 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | F558 | F558-V560 PolarHBondContact O-N 3Š|
| 561 | P | 37.2 | Very low | 44 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 133.4 | -178 | 25.3 | -34.2 | 0 | 0 | 0 | 111.6 | T563 | P561-T563 PolarHBondContact O-N 3.35Š|
| 562 | P | 42.3 | Very low | 45.9 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 129.1 | -174.3 | 27.3 | -34.5 | 0 | 0 | 0 | 111.7 | ||
| 563 | T | 49.4 | Very low | 47.4 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 60% | 0.601 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 136.1 | 171.8 | 43.1 | 0 | 0 | 0 | 0 | 110.7 | P561 S566 | P561-T563 PolarHBondContact O-N 3.35Å; T563-S566 WeakPolarHBondContact O-CB 3.49Å; T563-S566 PolarHBondContact O-N 2.8Å; T563-S566 PolarHBondContact O-OG 3.29Å |
| 564 | P | 42.7 | Very low | 49.3 | Very low | 121 Ų | 121 | 119 Ų | 119 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | 148.1 | 171 | -25.8 | 35 | 0 | 0 | 0 | 111.7 | S566 | P564-S566 PolarHBondContact O-N 3.24Å; P564-S566 VanDerWaalsContact O-N 3.14Å |
| 565 | E | 47.9 | Very low | 51.1 | Low | 199 Ų | 199 | 119.3 Ų | 119.3 | 93% | 0.93 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.9 | -6 | -178 | -50.3 | -169.9 | 177.5 | 0 | 0 | 116.9 | K567 | E565-K567 PolarHBondContact O-N 3.42Š|
| 566 | S | 54.9 | Low | 52.7 | Low | 74 Ų | 74 | 119.9 Ų | 119.9 | 52% | 0.517 | 69% | 0.686 | S | S | . | * | trans | -65.1 | 132.7 | 170.8 | 65.1 | 0 | 0 | 0 | 0 | 111.9 | T563 P564 | T563-S566 WeakPolarHBondContact O-CB 3.49Å; T563-S566 PolarHBondContact O-N 2.8Å; T563-S566 PolarHBondContact O-OG 3.29Å; P564-S566 PolarHBondContact O-N 3.24Å; P564-S566 VanDerWaalsContact O-N 3.14Å | ||
| 567 | K | 62.9 | Low | 54.7 | Low | 196 Ų | 196 | 117.6 Ų | 117.6 | 85% | 0.852 | 66% | 0.663 | S | S | * | * | trans | -112.5 | 133.6 | 170 | -73 | -179.1 | 179.6 | 173.5 | 0 | 108.9 | E565 | E565-K567 PolarHBondContact O-N 3.42Š| ||
| 568 | A | 59.4 | Low | 56.6 | Low | 95 Ų | 95 | 117.6 Ų | 117.6 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 126.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 569 | P | 65.6 | Low | 58.5 | Low | 78 Ų | 78 | 117 Ų | 117 | 51% | 0.506 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -68 | 144.9 | -177.6 | 27.9 | -34.8 | 0 | 0 | 0 | 111 | L574 | P569-L574 HydrophobicContact CB-CD2 4.25Å; P569-L574 HydrophobicContact CB-CG 4.27Å; P569-L574 HydrophobicContact CG-CD1 4.29Å; P569-L574 HydrophobicContact CG-CD2 3.96Å; P569-L574 HydrophobicContact CG-CG 4.21Å |
| 570 | Q | 73.1 | Confident | 60.1 | Low | 145 Ų | 145 | 113.9 Ų | 113.9 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 146.8 | 179.8 | -61 | -167.7 | 4.1 | 0 | 0 | 110.9 | G572 E573 L574 | Q570-G572 PolarHBondContact O-N 3.28Å; Q570-E573 HydrophobicContact CB-CG 4.36Å; Q570-E573 PolarHBondContact N-OE2 3.34Å; Q570-E573 WeakPolarHBondContact O-CB 3.32Å; Q570-E573 PolarHBondContact O-N 3.43Å; Q570-L574 PolarHBondContact O-N 2.87Å |
| 571 | A | 62.3 | Low | 61.7 | Low | 82 Ų | 82 | 113.1 Ų | 113.1 | 68% | 0.678 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -56.2 | -28.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | L575 | A571-L575 WeakPolarHBondContact O-CB 3.46Å; A571-L575 PolarHBondContact O-N 3.13Å; A571-L575 VanDerWaalsContact O-N 3.1Å |
| 572 | G | 67.1 | Low | 63.3 | Low | 51 Ų | 51 | 112.5 Ų | 112.5 | 53% | 0.526 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.4 | -30 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q570 Q576 | Q570-G572 PolarHBondContact O-N 3.28Å; G572-Q576 PolarHBondContact O-N 3.12Å |
| 573 | E | 64.2 | Low | 64.8 | Low | 119 Ų | 119 | 110.4 Ų | 110.4 | 56% | 0.556 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -75.4 | -45.5 | 177.6 | -58.3 | 174 | 129.2 | 0 | 0 | 109.9 | Q570 L575 Q576 L577 | Q570-E573 HydrophobicContact CB-CG 4.36Å; Q570-E573 PolarHBondContact N-OE2 3.34Å; Q570-E573 WeakPolarHBondContact O-CB 3.32Å; Q570-E573 PolarHBondContact O-N 3.43Å; E573-L575 VanDerWaalsContact C-N 3.29Å; E573-L575 PolarHBondContact O-N 3.4Å; E573-Q576 PolarHBondContact O-N 2.91Å; E573-Q576 VanDerWaalsContact O-N 3.13Å; E573-L577 PolarHBondContact O-N 3.43Å |
| 574 | L | 69.3 | Low | 65.3 | Low | 57 Ų | 57 | 109.1 Ų | 109.1 | 30% | 0.298 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -56.2 | -42.3 | 172.4 | -67.1 | 174.9 | 0 | 0 | 0 | 111.7 | P569 Q570 Q576 L577 Y578 | P569-L574 HydrophobicContact CB-CD2 4.25Å; P569-L574 HydrophobicContact CB-CG 4.27Å; P569-L574 HydrophobicContact CG-CD1 4.29Å; P569-L574 HydrophobicContact CG-CD2 3.96Å; P569-L574 HydrophobicContact CG-CG 4.21Å; Q570-L574 PolarHBondContact O-N 2.87Å; L574-Q576 VanDerWaalsContact C-N 3.29Å; L574-Q576 PolarHBondContact O-N 3.13Å; L574-L577 PolarHBondContact O-N 3.45Å; L574-L577 VanDerWaalsContact O-N 3.13Å; L574-Y578 HydrophobicContact CB-CD2 4.27Å; L574-Y578 HydrophobicContact CB-CE2 3.94Å; L574-Y578 WeakPolarHBondContact O-CD2 3.26Å; L574-Y578 PolarHBondContact O-N 3.33Å |
| 575 | L | 67.8 | Low | 66.5 | Low | 98 Ų | 98 | 109.1 Ų | 109.1 | 51% | 0.513 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.3 | -33 | 178.2 | -170.9 | 67.5 | 0 | 0 | 0 | 113.2 | A571 E573 R579 | A571-L575 WeakPolarHBondContact O-CB 3.46Å; A571-L575 PolarHBondContact O-N 3.13Å; A571-L575 VanDerWaalsContact O-N 3.1Å; E573-L575 VanDerWaalsContact C-N 3.29Å; E573-L575 PolarHBondContact O-N 3.4Å; L575-R579 WeakPolarHBondContact O-CG 3.14Å; L575-R579 PolarHBondContact O-N 3.2Å |
| 576 | Q | 68.1 | Low | 66.8 | Low | 137 Ų | 137 | 108.5 Ų | 108.5 | 64% | 0.64 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.8 | -39.7 | 172.3 | -71.7 | -163.2 | 6.5 | 0 | 0 | 112.2 | G572 E573 L574 R579 K580 | G572-Q576 PolarHBondContact O-N 3.12Å; E573-Q576 PolarHBondContact O-N 2.91Å; E573-Q576 VanDerWaalsContact O-N 3.13Å; L574-Q576 VanDerWaalsContact C-N 3.29Å; L574-Q576 PolarHBondContact O-N 3.13Å; Q576-R579 PolarHBondContact O-N 3.17Å; Q576-K580 PolarHBondContact O-N 2.79Å; Q576-K580 VanDerWaalsContact O-N 3.1Å |
| 577 | L | 70.8 | Confident | 67.3 | Low | 71 Ų | 71 | 107.9 Ų | 107.9 | 37% | 0.372 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.7 | -50.3 | 177.5 | -177.3 | 62.7 | 0 | 0 | 0 | 111.2 | E573 L574 R579 K580 L581 V587 | E573-L577 PolarHBondContact O-N 3.43Å; L574-L577 PolarHBondContact O-N 3.45Å; L574-L577 VanDerWaalsContact O-N 3.13Å; L577-R579 VanDerWaalsContact C-N 3.3Å; L577-R579 PolarHBondContact O-N 3.41Å; L577-K580 PolarHBondContact O-N 2.95Å; L577-K580 VanDerWaalsContact O-N 3.11Å; L577-L581 HydrophobicContact CD1-CD1 4.41Å; L577-L581 HydrophobicContact CG-CD1 4.12Å; L577-L581 WeakPolarHBondContact O-CG 3.24Å; L577-L581 PolarHBondContact O-N 3.21Å; L577-V587 HydrophobicContact CD1-CG1 4.01Å; L577-V587 HydrophobicContact CD1-CG2 4.34Å |
| 578 | Y | 75.6 | Confident | 66.9 | Low | 147 Ų | 147 | 104.4 Ų | 104.4 | 58% | 0.576 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.5 | -35.5 | 177.5 | -67 | -52.8 | 0 | 0 | 0 | 112.7 | L574 A582 | L574-Y578 HydrophobicContact CB-CD2 4.27Å; L574-Y578 HydrophobicContact CB-CE2 3.94Å; L574-Y578 WeakPolarHBondContact O-CD2 3.26Å; L574-Y578 PolarHBondContact O-N 3.33Å; Y578-A582 WeakPolarHBondContact O-CB 3.25Å; Y578-A582 PolarHBondContact O-N 3.01Å |
| 579 | R | 71.9 | Confident | 66.5 | Low | 180 Ų | 180 | 107.1 Ų | 107.1 | 68% | 0.679 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.6 | -37 | 173.4 | -82.1 | -177.6 | 177.7 | 172.9 | 1.5 | 113.4 | L575 Q576 L577 S583 | L575-R579 WeakPolarHBondContact O-CG 3.14Å; L575-R579 PolarHBondContact O-N 3.2Å; Q576-R579 PolarHBondContact O-N 3.17Å; L577-R579 VanDerWaalsContact C-N 3.3Å; L577-R579 PolarHBondContact O-N 3.41Å; R579-S583 WeakPolarHBondContact O-CB 3.37Å; R579-S583 PolarHBondContact O-N 3.04Å; R579-S583 VanDerWaalsContact O-N 3.12Å; R579-S583 PolarHBondContact O-OG 2.58Å |
| 580 | K | 71.9 | Confident | 65.2 | Low | 102 Ų | 102 | 115.3 Ų | 115.3 | 44% | 0.443 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.8 | -43.3 | 176.3 | -74.1 | -178.9 | 176.3 | -178.3 | 0 | 112 | Q576 L577 S583 G584 Q585 V587 | Q576-K580 PolarHBondContact O-N 2.79Å; Q576-K580 VanDerWaalsContact O-N 3.1Å; L577-K580 PolarHBondContact O-N 2.95Å; L577-K580 VanDerWaalsContact O-N 3.11Å; K580-S583 PolarHBondContact O-N 3.06Å; K580-S583 PolarHBondContact O-OG 3.48Å; K580-G584 PolarHBondContact O-N 3.32Å; K580-Q585 PolarHBondContact O-N 2.74Å; K580-Q585 VanDerWaalsContact O-N 3.11Å; K580-V587 HydrophobicContact CB-CG2 4.4Å |
| 581 | L | 71.4 | Confident | 63.3 | Low | 102 Ų | 102 | 111.6 Ų | 111.6 | 53% | 0.534 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.3 | -46.4 | 175.5 | -66.6 | 170.8 | 0 | 0 | 0 | 111 | L577 S583 G584 V587 | L577-L581 HydrophobicContact CD1-CD1 4.41Å; L577-L581 HydrophobicContact CG-CD1 4.12Å; L577-L581 WeakPolarHBondContact O-CG 3.24Å; L577-L581 PolarHBondContact O-N 3.21Å; L581-S583 PolarHBondContact O-N 3.38Å; L581-G584 PolarHBondContact O-N 2.92Å; L581-G584 VanDerWaalsContact O-N 3.1Å; L581-V587 HydrophobicContact CD2-CG2 4.01Å |
| 582 | A | 70.9 | Confident | 61.8 | Low | 94 Ų | 94 | 116.8 Ų | 116.8 | 78% | 0.777 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67 | -17.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y578 | Y578-A582 WeakPolarHBondContact O-CB 3.25Å; Y578-A582 PolarHBondContact O-N 3.01Å |
| 583 | S | 73.1 | Confident | 60.3 | Low | 72 Ų | 72 | 121.2 Ų | 121.2 | 50% | 0.503 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.3 | 3.9 | 173.7 | 69.6 | 0 | 0 | 0 | 0 | 114 | R579 K580 L581 Q585 | R579-S583 WeakPolarHBondContact O-CB 3.37Å; R579-S583 PolarHBondContact O-N 3.04Å; R579-S583 VanDerWaalsContact O-N 3.12Å; R579-S583 PolarHBondContact O-OG 2.58Å; K580-S583 PolarHBondContact O-N 3.06Å; K580-S583 PolarHBondContact O-OG 3.48Å; L581-S583 PolarHBondContact O-N 3.38Å; S583-Q585 PolarHBondContact O-N 3.21Å |
| 584 | G | 60.2 | Low | 58.7 | Low | 72 Ų | 72 | 124.2 Ų | 124.2 | 74% | 0.742 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.7 | 19.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K580 L581 | K580-G584 PolarHBondContact O-N 3.32Å; L581-G584 PolarHBondContact O-N 2.92Å; L581-G584 VanDerWaalsContact O-N 3.1Å |
| 585 | Q | 67.2 | Low | 57.1 | Low | 120 Ų | 120 | 133.3 Ų | 133.3 | 56% | 0.561 | 68% | 0.681 | S | S | * | * | trans | -84.2 | 130.7 | 177.1 | -72.7 | -171.7 | -17.1 | 0 | 0 | 111.4 | K580 S583 | K580-Q585 PolarHBondContact O-N 2.74Å; K580-Q585 VanDerWaalsContact O-N 3.11Å; S583-Q585 PolarHBondContact O-N 3.21Å | ||
| 586 | E | 55.5 | Low | 55.4 | Low | 187 Ų | 187 | 137.9 Ų | 137.9 | 87% | 0.874 | 70% | 0.699 | S | S | * | * | trans | -65.8 | 131.3 | 179.9 | -159.5 | 171.3 | -137.6 | 0 | 0 | 111.5 | ||||
| 587 | V | 64.6 | Low | 53.6 | Low | 61 Ų | 61 | 135 Ų | 135 | 37% | 0.37 | 71% | 0.707 | S | S | . | * | trans | -106.8 | 94.8 | -173.7 | -176.5 | 0 | 0 | 0 | 0 | 110 | L577 K580 L581 I589 | L577-V587 HydrophobicContact CD1-CG1 4.01Å; L577-V587 HydrophobicContact CD1-CG2 4.34Å; K580-V587 HydrophobicContact CB-CG2 4.4Å; L581-V587 HydrophobicContact CD2-CG2 4.01Å; V587-I589 PolarHBondContact O-N 3.29Å | ||
| 588 | V | 55.3 | Low | 51.6 | Low | 123 Ų | 123 | 139.5 Ų | 139.5 | 75% | 0.745 | 73% | 0.731 | S | S | * | * | trans | -70.5 | 114.1 | 179.3 | -178.2 | 0 | 0 | 0 | 0 | 111 | R590 | V588-R590 PolarHBondContact O-N 3.3Š| ||
| 589 | I | 50.8 | Low | 49.8 | Very low | 152 Ų | 152 | 140 Ų | 140 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | trans | -79.9 | 111.1 | 173.6 | -57.5 | 174.7 | 0 | 0 | 0 | 108.9 | V587 G591 | V587-I589 PolarHBondContact O-N 3.29Å; I589-G591 PolarHBondContact O-N 3.01Å | ||
| 590 | R | 38.6 | Very low | 48 | Very low | 250 Ų | 250 | 139.1 Ų | 139.1 | 94% | 0.943 | 74% | 0.742 | S | S | * | * | trans | -75.6 | 102.8 | 171.2 | -87 | -173.1 | 164.3 | -162.2 | -6.1 | 110 | V588 | V588-R590 PolarHBondContact O-N 3.3Š| ||
| 591 | G | 32.7 | Very low | 46.2 | Very low | 67 Ų | 67 | 141.5 Ų | 141.5 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | trans | -155.5 | 27.1 | -173 | 0 | 0 | 0 | 0 | 0 | 116.1 | I589 | I589-G591 PolarHBondContact O-N 3.01Š| ||
| 592 | Q | 30.3 | Very low | 44.8 | Very low | 191 Ų | 191 | 144.2 Ų | 144.2 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | -126.6 | 129.4 | 168.4 | -73.6 | -174.4 | -21.5 | 0 | 0 | 109.9 | ||||
| 593 | V | 35.9 | Very low | 43.3 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -105.6 | 122.7 | 169.7 | 175.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 594 | E | 31.9 | Very low | 41.8 | Very low | 183 Ų | 183 | 150.6 Ų | 150.6 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | -65.2 | 148.2 | -178.7 | -66.5 | 159.3 | 144.2 | 0 | 0 | 110.9 | ||||
| 595 | R | 34.7 | Very low | 40.8 | Very low | 247 Ų | 247 | 154.7 Ų | 154.7 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | trans | -131 | 69 | 172.6 | -98.7 | -163.2 | -70.7 | 172.9 | -4.3 | 111.2 | ||||
| 596 | E | 32.3 | Very low | 39.3 | Very low | 194 Ų | 194 | 156.7 Ų | 156.7 | 91% | 0.907 | 84% | 0.843 | S | S | * | * | trans | -98.8 | 147 | 144.2 | -59.4 | -176.7 | 154.3 | 0 | 0 | 106.2 | ||||
| 597 | G | 29.6 | Very low | 38.4 | Very low | 77 Ų | 77 | 154.9 Ų | 154.9 | 79% | 0.794 | 84% | 0.841 | S | S | * | * | cis | 136 | 89.2 | 7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 598 | D | 29.3 | Very low | 36.7 | Very low | 166 Ų | 166 | 160.8 Ų | 160.8 | 89% | 0.888 | 87% | 0.87 | S | S | * | * | trans | -145.8 | 147.7 | -178.6 | -150 | -6.4 | 0 | 0 | 0 | 111 | ||||
| 599 | E | 37.1 | Very low | 35.5 | Very low | 157 Ų | 157 | 163.3 Ų | 163.3 | 73% | 0.734 | 88% | 0.879 | S | S | * | * | trans | -112.5 | 165.4 | -170.8 | -70.1 | -165.5 | 100.5 | 0 | 0 | 113.1 | ||||
| 600 | H | 34.2 | Very low | 34.4 | Very low | 161 Ų | 161 | 164.1 Ų | 164.1 | 75% | 0.745 | 89% | 0.886 | S | S | * | * | trans | 67.6 | 130 | 168.3 | -55.9 | -21 | 0 | 0 | 0 | 115.8 | ||||
| 601 | L | 35.1 | Very low | 34.1 | Very low | 153 Ų | 153 | 157.5 Ų | 157.5 | 80% | 0.801 | 88% | 0.881 | S | S | * | * | -150.8 | 138.9 | 61.9 | -119.6 | 95.1 | 0 | 0 | 0 | 114.6 | |||||
| 602 | I | 42 | Very low | 34.2 | Very low | 159 Ų | 159 | 165 Ų | 165 | 82% | 0.815 | 90% | 0.897 | S | S | * | * | trans | 11.1 | 123.9 | 143.6 | -50.7 | 171.2 | 0 | 0 | 0 | 117.5 | ||||
| 603 | G | 38.3 | Very low | 34.6 | Very low | 149 Ų | 149 | 162.6 Ų | 162.6 | 100% | 1.536 | 90% | 0.898 | S | S | * | * | trans | -167.1 | 0 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112 |
Retrieved 603 of 603 residues in 1996.5 ms
(Link to these results)